Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371556162834
cohesive_energy=5.770453839983518
mass=195.084
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=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-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: 0.02321289081457244
Energy: 0.7441754046700921
Energy: 0.7435903492203133
Energy: 1.226091297352599
Energy: 1.2263780012744099
Energy: 0.48359880615560824
Energy: 0.02502824429643574
Energy: 0.13517069883587002
Energy: 1.2110317632361904
Energy: 0.6630162655755721
Energy: 1.0646035990243505
Energy: 0.7441345548588353
Energy: 0.024247818093935683
Energy: 0.13778913802863685
Energy: 0.026355190552148553
Energy: 1.0691079864495423
Energy: 1.3379591837710494
Energy: 1.0686274871969768
Energy: 0.9630102381889581
Energy: 0.13509330777617132
Energy: 0.13691569861205335
Energy: 0.02651948231241495
Energy: 0.744235717536802
Energy: 1.0606503286849134
Energy: 1.225908252422223
Energy: 1.2271323950852941
Energy: 0.13547804322594934
Energy: 0.024315197618101803
Energy: 0.4776053336574871
Energy: 1.2133748319013398
Energy: 0.6690449290486414
Energy: 0.7424509975836928
Energy: 0.7445653321937457
Energy: 0.024042002257309847
Energy: 0.13589996298481904
Energy: 0.023786312947672427
Energy: 1.0712512309739406
Energy: 1.339636747103997
Energy: 1.0683127688978376
Energy: 0.9620960637965507
Energy: 0.13493353717911202
Energy: 0.13647266441484557

minimum gb energy = 0.02321289081457244 eV
minimum distance =  2.74577191121668 Angstroms
sigma value = 5


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

Energy: 1.7258823645997123
Energy: 2.026804823916552
Energy: 1.9380361115754905
Energy: 1.9831708389247362
Energy: 1.9388633629468808
Energy: 1.918165860151878
Energy: 1.9391488904182155
Energy: 1.5912143282432534
Energy: 1.8831305188609955
Energy: 1.7672600413323942
Energy: 1.878468922499919
Energy: 1.9007811961390213
Energy: 1.8187118819754262
Energy: 1.8181720413117761
Energy: 1.7882781588266237
Energy: 1.8394413160050853
Energy: 1.7701318053578001
Energy: 1.8468531876689167
Energy: 1.9283408545734835
Energy: 1.7909081738138528
Energy: 1.8268939191515405
Energy: 1.8421684424722953
Energy: 1.8421439572757514
Energy: 1.765992242501266
Energy: 1.7752052804490592
Energy: 1.8232003915458892
Energy: 1.8454242388295763
Energy: 1.8781823581879316
Energy: 1.8286404252510768
Energy: 1.9751841996190465
Energy: 1.7247547656790587
Energy: 1.8717308870590743
Energy: 1.766113783955152
Energy: 1.8373154642530833
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Energy: 1.8615932982762935
Energy: 1.895606809452726
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Energy: 1.7531106638166454
Energy: 1.8117627085714356
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Energy: 1.9538257703091682
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Energy: 1.8027460289417279
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Energy: 1.844537015947123
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Energy: 1.8369657207581789
Energy: 1.8293567882379596
Energy: 1.8015635542478219
Energy: 1.842101223233708
Energy: 1.763936266672435
Energy: 1.7636872972508972
Energy: 1.808845593498873
Energy: 1.8698416034307372
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Energy: 1.7566143010222968
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Energy: 1.9589391990829619
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Energy: 1.768898718253539
Energy: 1.8785055586219888
Energy: 1.731205052564656
Energy: 1.8772493267889314
Energy: 1.6266086804403312
Energy: 1.832597421557325
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Energy: 1.762733255702158
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Energy: 1.7979179420804687
Energy: 1.8677226336861488
Energy: 1.897798531527545
Energy: 1.8674200820296243
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Energy: 1.7843499066769748
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Energy: 1.8099976892829426
Energy: 1.962199891522545
Energy: 1.8864707177080282
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Energy: 1.741284003635307
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Energy: 1.857176788551558
Energy: 1.8702922118185223
Energy: 1.9419252826073368
Energy: 1.8293423386640395
Energy: 1.983682892518235
Energy: 1.7670106522148041
Energy: 1.7991211669075333
Energy: 1.8015217978895275
Energy: 1.8691388168697605
Energy: 1.9818599566354087
Energy: 1.7979390068906869
Energy: 1.827012033907758
Energy: 1.8203847058298688
Energy: 1.7909361868520874
Energy: 1.8160756640042384
Energy: 1.904481242145923
Energy: 1.8120770414957954
Energy: 1.6923864558464279
Energy: 1.8143982054066412
Energy: 1.7819091402827718
Energy: 1.8962130437475608
Energy: 1.9180985620538051
Energy: 1.817028327319565
Energy: 1.7838852336961901
Energy: 1.61042212773373
Energy: 1.8137266380464934
Energy: 1.9252622261372678
Energy: 1.9876419716807827
Energy: 1.8257774796639021
Energy: 1.8322639327768888
Energy: 1.7981962266549687
Energy: 1.7280159672682598
Energy: 1.9016782913472923
Energy: 1.8910614704281805
Energy: 1.9802037689980692
Energy: 1.888046520637358
Energy: 1.7991499620535725
Energy: 1.8673365607042736

minimum gb energy = 1.5724130773576463 eV
minimum distance =  2.42633365758511 Angstroms
sigma value = 401


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

Energy: 1.7254609146801716
Energy: 1.960324524363167
Energy: 1.7776542138290794
Energy: 2.0460359261356476
Energy: 2.2179111003162206
Energy: 1.8431493153795946
Energy: 1.8348891201425668
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Energy: 1.8322471015250577
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Energy: 1.787019730654656
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Energy: 1.8049413661672102
Energy: 2.0559252645575117
Energy: 1.8586700037638113
Energy: 1.6904679843095578
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Energy: 1.847292572498719
Energy: 2.028624674177285
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Energy: 1.9043281280154722
Energy: 1.7829982774806934
Energy: 1.586016482179787
Energy: 1.760503871410069
Energy: 1.7766928021971595
Energy: 2.038168104808017
Energy: 2.085935260407007
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Energy: 1.8068672798870793
Energy: 1.6528415468621032
Energy: 1.7890174827727983
Energy: 1.6357328811573515
Energy: 1.8689656554645606
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Energy: 1.7573365618709806
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Energy: 1.846343032492761
Energy: 1.969245887816889
Energy: 1.8200661288159967
Energy: 1.9955985591834677
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Energy: 1.7581746303100807
Energy: 1.7330243365464024
Energy: 1.7462600742086583
Energy: 1.9442275049665891
Energy: 1.8045525719520925
Energy: 2.0729813381627578
Energy: 1.861552784735893
Energy: 1.788081568939544
Energy: 1.8349698536839447
Energy: 1.7830810182451087
Energy: 1.995714035977624
Energy: 1.8410814867186165
Energy: 2.044201364869632
Energy: 1.9066125772790325
Energy: 1.7948174429045625
Energy: 1.7092048004109253
Energy: 1.7717454047264176
Energy: 1.984139712818763
Energy: 1.822831411313586
Energy: 1.9947494938294468
Energy: 1.9307965527779078
Energy: 1.7572652189360483
Energy: 1.6889279636784629
Energy: 1.6965545262148336
Energy: 1.8948196268929878
Energy: 1.6093905669070907
Energy: 1.8561879438981124
Energy: 1.902798093216734
Energy: 2.002691335104484
Energy: 1.8470572600202217
Energy: 1.8618175618731325
Energy: 1.841734522171474
Energy: 1.652866291830945
Energy: 1.7183161532707933
Energy: 1.8113404652003442
Energy: 2.199686156499485
Energy: 2.0614205046904117
Energy: 1.7000400270479246
Energy: 1.800778221511985
Energy: 1.5857372912092271
Energy: 1.7737983706439309
Energy: 1.8869747070085106
Energy: 2.108372292541444
Energy: 1.8614839651165616
Energy: 1.8326700498914985
Energy: 1.797144254873785
Energy: 1.6825645456791187
Energy: 1.7831615272385737
Energy: 1.781702927563562
Energy: 1.9697411751820237
Energy: 2.044029929859707
Energy: 1.8938597037785716
Energy: 1.7834548201732283
Energy: 1.6650083748376432
Energy: 1.781160327329509
Energy: 1.6368759781186306
Energy: 1.819813641952227
Energy: 2.0419513631496606
Energy: 1.8991293806974099
Energy: 1.8158322166895946
Energy: 1.7533239479605784
Energy: 1.8932221993883298
Energy: 1.7944691374112631
Energy: 1.7964900406635
Energy: 1.7882914755570116
Energy: 1.8589376915147489
Energy: 1.9206402770539799
Energy: 1.761474153260806
Energy: 1.9978401072736216
Energy: 1.7647371606008462
Energy: 1.7427814712714338
Energy: 1.6761466800262927
Energy: 1.7860038618218534
Energy: 1.9353612288605533
Energy: 1.7991389206163058
Energy: 2.2218117760730127
Energy: 1.863114183993997
Energy: 1.726162185333661
Energy: 1.8858530525992352
Energy: 1.8104557883725154
Energy: 2.056365188386068
Energy: 1.7751045477927665
Energy: 2.0593515448527904
Energy: 1.9049790780836229
Energy: 1.7496130924012394
Energy: 1.623289763767715
Energy: 1.716476283291371
Energy: 1.9735007987088973
Energy: 1.7939813911289764
Energy: 2.000419460783748
Energy: 1.9456994608450744
Energy: 1.757517795069811
Energy: 1.683205878571872
Energy: 1.7242797746071439
Energy: 1.9154319626253093
Energy: 1.6211084144246954
Energy: 1.8295977293149417
Energy: 1.8615290196091707
Energy: 1.9236896904854133
Energy: 1.813422436169919
Energy: 1.8926938601053747
Energy: 1.8184895408819521
Energy: 1.7276584396228718
Energy: 1.7291243460736097
Energy: 1.6979834766213333
Energy: 2.1938496608819866
Energy: 2.0079347336918936
Energy: 1.984954688304969
Energy: 1.8332484148452024
Energy: 1.6264687613214464
Energy: 1.7601466658194715
Energy: 1.912521307460099
Energy: 2.0354541165241917
Energy: 2.0747437736565173
Energy: 1.795281696500514
Energy: 1.8114381521797516

minimum gb energy = 1.5824260411697175 eV
minimum distance =  2.49636304870967 Angstroms
sigma value = 311


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

Energy: 1.799391809031808
Energy: 2.054480664924161
Energy: 1.8429134569057983
Energy: 1.8844219254659358
Energy: 1.797002863257824
Energy: 1.7643144130371577
Energy: 1.84855791821756
Energy: 1.7822998912771042
Energy: 1.832371401151129
Energy: 1.8313731110696043
Energy: 1.7978148304014816
Energy: 1.8311274949230296
Energy: 1.7253450481184185
Energy: 1.8909891094128524
Energy: 1.7543892321585883
Energy: 1.817454978799983
Energy: 1.7531413615060398
Energy: 1.802497518480709
Energy: 1.8691959779263367
Energy: 1.813961007957152
Energy: 1.776261019665296
Energy: 1.8067819651553831
Energy: 1.8500320068951102
Energy: 1.7750646639999563
Energy: 1.8426148301860517
Energy: 1.8705037250912773
Energy: 1.8082984175847145
Energy: 1.8165543487219689
Energy: 1.7868827923935244
Energy: 1.8756005974099252
Energy: 1.8522785255855732
Energy: 1.8517705434532317
Energy: 1.8352990161327412
Energy: 1.7766617300721195
Energy: 1.8444199294144523
Energy: 1.713541905257267
Energy: 1.8486374106444314
Energy: 1.8442923177123025
Energy: 1.8319781313807197
Energy: 1.816459948024686
Energy: 1.776186416111001
Energy: 1.7914204570540522
Energy: 1.7385036192704795
Energy: 1.882597556204381
Energy: 1.853020519124898
Energy: 1.8667626874496412
Energy: 1.8936472389521348
Energy: 1.7855171052476781
Energy: 1.8137424109568923
Energy: 1.6987605220299309
Energy: 1.8587887844841362
Energy: 1.8514623441670253
Energy: 1.8821009000884874
Energy: 1.8483694377168673
Energy: 1.7829418467599503
Energy: 1.8521759312630168
Energy: 1.7577499296776524
Energy: 1.846489594969048
Energy: 1.7660035112585624
Energy: 1.8442722177420399
Energy: 1.9152395137408504
Energy: 1.7918046308387292
Energy: 1.7826588014848683
Energy: 1.773814151327301
Energy: 1.819997918976361
Energy: 1.8367248986345899
Energy: 1.8366138985272171
Energy: 1.8565255065971675
Energy: 1.7872101188386966
Energy: 1.8698189632527418
Energy: 1.7707166098136295
Energy: 1.9988515443229669
Energy: 1.8975724921514807
Energy: 1.866486291252332
Energy: 1.8972589066822783
Energy: 1.8576108494290007
Energy: 1.8585209731294334
Energy: 1.7437233468739441
Energy: 1.9314757278707053
Energy: 1.7772818056009212
Energy: 1.9265311743197393
Energy: 1.8730848507860285
Energy: 1.7968634548563014
Energy: 1.793737960735947
Energy: 1.722389162991818
Energy: 1.8913851545741196
Energy: 1.829195714773086
Energy: 1.9292495494149495
Energy: 1.9434057682478019
Energy: 1.7660103367711004
Energy: 1.9357385996723835
Energy: 1.7613615120122477
Energy: 1.8120510121099846
Energy: 1.8481071847375912
Energy: 1.9100795699536652
Energy: 1.887768737411092
Energy: 1.8970944686756288
Energy: 1.9046709587848623
Energy: 1.68851611588818
Energy: 1.9066606147671246
Energy: 1.7611057625639033
Energy: 1.855643941884177
Energy: 1.895991129214278
Energy: 1.7967082322417995
Energy: 1.8887473771035421
Energy: 1.749521500731393
Energy: 1.825898420669376
Energy: 1.8264982232653253
Energy: 1.8504718816919163
Energy: 1.8215534247941008
Energy: 1.917498205862101
Energy: 1.8427089198853028
Energy: 1.7597006524237164
Energy: 2.0793855053220267
Energy: 1.8150944391876687
Energy: 1.8712547266504629
Energy: 1.9249447284093493
Energy: 1.850116027403842
Energy: 2.0396139858139297
Energy: 1.7996514661874001
Energy: 1.8063206617219163
Energy: 1.7461204451961336
Energy: 1.8991585635600514
Energy: 1.8220411162626902
Energy: 1.8723921516112567
Energy: 1.9045390008408576
Energy: 1.7340483985614772
Energy: 1.8162333725554407
Energy: 1.7459998560269354
Energy: 1.9238244096607693
Energy: 1.9245044386181815
Energy: 1.789224631894603
Energy: 1.8585355206866905
Energy: 1.7581574638379744
Energy: 1.8551823484567107
Energy: 1.8248718758988518
Energy: 1.877479031989813
Energy: 1.9068925912896495
Energy: 1.8819713087063221
Energy: 1.8944282265485184
Energy: 1.7706305109653242
Energy: 1.8721457221652462
Energy: 1.74759194972189
Energy: 1.8771490054457256
Energy: 1.8938595793496793
Energy: 1.752001535008055
Energy: 1.8697021568551737
Energy: 1.7494334744190576
Energy: 1.857237615520335
Energy: 1.745014775147943
Energy: 1.9290585152266964
Energy: 1.8168069905865127
Energy: 1.890204897382486
Energy: 1.7621628172918486
Energy: 1.8446884140580606
Energy: 2.0778323333786286
Energy: 1.8358176911278663
Energy: 1.8728243327392633
Energy: 1.8755170433360109
Energy: 1.9197227208416365
Energy: 2.090732855743059
Energy: 1.8402271568711766
Energy: 1.8836889117854856
Energy: 1.7189196394047028
Energy: 1.9172060089370258
Energy: 1.8494543704037627
Energy: 1.8462704903771059
Energy: 1.9322742158602335
Energy: 1.8134554406579175
Energy: 1.8988154003210487
Energy: 1.746710052889019
Energy: 1.854472945660834
Energy: 1.9214140079954276
Energy: 1.8607129041753852
Energy: 1.927593533766721
Energy: 1.8278299492058672
Energy: 1.838476042394965
Energy: 1.7772371360517356
Energy: 1.8725373621254775
Energy: 1.8561110485292178
Energy: 1.8728634478145358
Energy: 1.9171653429807183
Energy: 1.758838497507478
Energy: 1.8372939087233537
Energy: 1.741556010197685
Energy: 1.9039996648634618
Energy: 1.8673568584243545
Energy: 1.8104465269075922
Energy: 1.8923332354874653
Energy: 1.779730714982045
Energy: 1.8432872294746767
Energy: 1.7118689208507814
Energy: 1.9177971940807739
Energy: 1.7542593355683394
Energy: 1.8677611791890498
Energy: 1.7925266290285926
Energy: 1.8471344660782725
Energy: 1.9267330191508978
Energy: 1.8180506060653814
Energy: 1.85376246076606
Energy: 1.8638970578095855
Energy: 1.8574965031637058
Energy: 1.9683156959141692
Energy: 1.858463501019845
Energy: 1.929773249408025
Energy: 1.7701152493788879
Energy: 1.8436951839627802
Energy: 1.8296650828060805
Energy: 1.8001442722025593
Energy: 1.8998608325497008
Energy: 1.817239839700608
Energy: 1.8147278947560201
Energy: 1.7265147411356694
Energy: 1.834736377577838
Energy: 1.9173970852353925
Energy: 1.797700520799781
Energy: 1.8659779074622038
Energy: 1.7778682766007996
Energy: 1.831122453096124
Energy: 1.8005786354586437
Energy: 1.8358710331457027
Energy: 1.831964068708376
Energy: 1.8394595473861022
Energy: 1.9009040132624038
Energy: 1.7483142585581322
Energy: 1.7982934999966151
Energy: 1.7832889278626007
Energy: 1.836326865761101
Energy: 1.8035144498797788
Energy: 1.7863151264898118
Energy: 1.8261636785162556
Energy: 1.7664949593719803
Energy: 1.8903177896585435
Energy: 1.7395043550270066
Energy: 1.9959902794223179
Energy: 1.7463339973033118
Energy: 1.8314690828407942
Energy: 1.8674065494792973
Energy: 1.8563181544845058
Energy: 1.876133063180999
Energy: 1.89377420846175
Energy: 1.8915242643509744
Energy: 1.8048176611879516
Energy: 1.817172408247455
Energy: 1.891503283603751
Energy: 1.837434875681158
Energy: 1.9986271048327704
Energy: 1.8409420453464975
Energy: 1.8755038904070942
Energy: 1.8948136002517872
Energy: 1.7920915123237995
Energy: 1.854564729590335

minimum gb energy = 1.68851611588818 eV
minimum distance =  2.39298218575644 Angstroms
sigma value = 39


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

Energy: 1.5245380992336066
Energy: 1.8250091351051974
Energy: 1.9222139049345601
Energy: 1.8900698187588139
Energy: 1.9622439630913724
Energy: 1.8222354649939214
Energy: 1.6547529631376274
Energy: 1.6025403187648444
Energy: 1.8576225033394005
Energy: 1.7349781897338228
Energy: 1.6434606985659954
Energy: 1.6415604908695922
Energy: 1.5627427606212176
Energy: 1.8081778873446912
Energy: 1.885843165486479
Energy: 1.7444237035032573
Energy: 1.6047651709631436
Energy: 1.5902041933379545
Energy: 1.5156879271750876
Energy: 1.6069363872587195
Energy: 1.9188608069417046
Energy: 1.566764172920753
Energy: 1.7995327869552147
Energy: 1.6765535965918603
Energy: 1.6069113760023337
Energy: 1.6091085548170263
Energy: 1.7477193985859443
Energy: 1.8309269317801062
Energy: 1.5650938980486575
Energy: 1.671962404393824
Energy: 1.6567887913344488
Energy: 1.8243154036183973
Energy: 1.899730956206146
Energy: 1.8351864162889298
Energy: 1.7634487615363579
Energy: 1.5271444884988914
Energy: 1.6223046475433267
Energy: 1.5676823334771075
Energy: 1.7810723656404428
Energy: 1.654061200733205
Energy: 1.8282518983172191
Energy: 1.9380154695964154
Energy: 1.8744046654827233
Energy: 2.0914074026446614
Energy: 1.9767063603942117
Energy: 1.803174433976865
Energy: 1.6738995442606128
Energy: 1.5608054750026843
Energy: 1.9187874842859367
Energy: 1.523084829370047
Energy: 1.9024883363443126
Energy: 1.9614847542780984
Energy: 1.8715653651008488
Energy: 1.7239928085496514
Energy: 1.8959199325666887
Energy: 1.875400876696449
Energy: 1.5230217699004138
Energy: 1.868405130475225
Energy: 1.9298115009379149
Energy: 1.6792112030045292
Energy: 1.7115171836553849
Energy: 1.8497851242920478
Energy: 1.9471645488601468
Energy: 1.876576583742482
Energy: 1.968116741390251
Energy: 1.7661197609231067
Energy: 1.5120562611368884
Energy: 1.5579711672032313
Energy: 1.6665143101915079
Energy: 1.8637586638195291
Energy: 1.6069296721149968
Energy: 1.6402946912783174
Energy: 1.598971314687195
Energy: 1.4549061890304298
Energy: 1.6012528208328036
Energy: 1.576799466698699
Energy: 2.1834740999188353
Energy: 1.5656393768995693
Energy: 1.678796395639742
Energy: 1.6075386364853181
Energy: 1.7779619383334726
Energy: 1.7214877963761592
Energy: 1.8099069463149928
Energy: 1.7637598222403827
Energy: 1.5163053370278328
Energy: 1.6642234515601917
Energy: 1.7473761572405342
Energy: 1.7737137536842018
Energy: 1.5696964066535344
Energy: 1.9041523753945806
Energy: 1.6890476363437237
Energy: 1.8493637712490527
Energy: 1.847109281068102
Energy: 1.5462989842179768
Energy: 1.7629457705235108
Energy: 1.7212447847533094
Energy: 1.5616204640118854
Energy: 1.8926584307474301
Energy: 1.6521460050769023
Energy: 1.6694861656132851
Energy: 1.6933816346812787
Energy: 1.9026088103876297
Energy: 1.6838592760906959
Energy: 1.5260390765598284
Energy: 1.9232405187924402
Energy: 1.5094035438762103
Energy: 1.8716173096427433
Energy: 1.872439712109374
Energy: 1.763369905249539
Energy: 1.9467097140612744
Energy: 1.821682417882994
Energy: 1.6550800096251572
Energy: 1.605810687605827
Energy: 1.856742140005401
Energy: 1.7394803524929996
Energy: 1.6674331611686397
Energy: 1.6511344744340777
Energy: 1.6895924090057644
Energy: 1.807531712746318
Energy: 1.8619270433662285
Energy: 1.7440656153002787
Energy: 1.6030027759672438
Energy: 1.5457731635613943
Energy: 1.5157732201459855
Energy: 1.6083829617789573
Energy: 1.9188363283414582
Energy: 1.6084156785688262
Energy: 1.7981388834611987
Energy: 1.6770582316662732
Energy: 1.607430521886911
Energy: 1.610095998526747
Energy: 1.7490585913326138
Energy: 1.7502804102275036
Energy: 1.5655557978907437
Energy: 1.5265389349479537
Energy: 1.6565227337740376
Energy: 1.816399274038685
Energy: 1.894404431358582
Energy: 1.8343454871298404
Energy: 1.8943454259001034
Energy: 1.5262234001239494
Energy: 1.621615228956118
Energy: 1.566327343210652
Energy: 1.7458452596093803
Energy: 1.6535596971694844
Energy: 1.4861700937605475
Energy: 1.9385063210340752
Energy: 1.8717938033255914
Energy: 2.0943874836937915
Energy: 1.9790179192692088
Energy: 1.8032212311261697
Energy: 1.664507812358503
Energy: 1.587978735871617
Energy: 1.8527778554570493
Energy: 1.5228347000476516
Energy: 1.9024271786260376
Energy: 1.9624318790085602
Energy: 1.8646495817211008
Energy: 1.722379479083446
Energy: 1.8956297780311966
Energy: 1.875415022183278
Energy: 1.5231683626122103
Energy: 1.8681559698627745
Energy: 1.9295424593205337
Energy: 1.493971051831825
Energy: 1.7229844461065635
Energy: 1.8500486571102068
Energy: 1.9594153370817842
Energy: 1.8775529187235844
Energy: 1.9701935431180275
Energy: 1.787020425342669
Energy: 1.5118991566108124
Energy: 1.54875787339232
Energy: 1.6601406183435417
Energy: 1.8794603690688985
Energy: 1.6064262098375786
Energy: 1.6426569129297994
Energy: 1.6476343152539386
Energy: 1.4560198869346788
Energy: 1.688181070644901
Energy: 1.6782160692361228
Energy: 2.1829674862770636
Energy: 1.5659702693567714
Energy: 1.6785816975050907
Energy: 1.607244993578728
Energy: 1.7783257998773327
Energy: 1.7430908428090286
Energy: 1.8087669456077033
Energy: 1.7640927070628174
Energy: 1.5322019126361857
Energy: 1.665622705978097
Energy: 1.7480672900511338
Energy: 1.7747470121828446
Energy: 1.5708047649338936
Energy: 1.903591472538829
Energy: 1.6887967934859014
Energy: 1.8474344373133562
Energy: 1.84705358425909
Energy: 1.5476899603825631
Energy: 1.7647388248589615
Energy: 1.6868871134087102
Energy: 1.5595367285594541
Energy: 1.8823484893971394
Energy: 1.653998083101599
Energy: 1.6778924840243095
Energy: 1.7025218853576043
Energy: 1.7839834772580814
Energy: 1.6793146888348034
Energy: 1.5255366919635902
Energy: 1.917689760426219

minimum gb energy = 1.4549061890304298 eV
minimum distance =  2.49871604853643 Angstroms
sigma value = 21


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

Energy: 1.9335233661348428
Energy: 2.059574861670626
Energy: 1.948853031821843
Energy: 2.041774357254958
Energy: 1.9045237450105204
Energy: 1.8108836494487683
Energy: 1.9812169024911388
Energy: 1.9990158339510171
Energy: 1.9723340738017974
Energy: 1.9766768599070355
Energy: 1.9738520743299328
Energy: 1.94177148471632
Energy: 1.9347063201906614
Energy: 2.036537009747829
Energy: 1.9549642212875555
Energy: 1.7488889314233043
Energy: 1.8423387918336116
Energy: 1.908096030260841
Energy: 1.9039232605111567
Energy: 1.908147039310905
Energy: 1.86576212056925
Energy: 1.8349439599102908
Energy: 1.950411903323327
Energy: 1.646399940416114
Energy: 1.8458944270866222
Energy: 1.7209653196144346
Energy: 1.6674448557160544
Energy: 1.9651225973746937
Energy: 1.7129118890073387
Energy: 1.708711537729079
Energy: 1.9053719006006569
Energy: 1.6506231247480017
Energy: 1.9289833969186414
Energy: 1.9981946994753574
Energy: 1.77764004448695
Energy: 1.6217719814274194
Energy: 1.6789079200903172
Energy: 1.8376643495865257
Energy: 2.0153265386605197
Energy: 1.9847731397500852
Energy: 1.8902902701223694
Energy: 1.699763785929942
Energy: 1.9068682255550733
Energy: 2.0237316252722475
Energy: 1.742534017391496
Energy: 1.7719540032673529
Energy: 1.5863455968168003
Energy: 1.5857454212669109
Energy: 1.9152371080919024
Energy: 1.8165826732406816
Energy: 1.6799939335181877
Energy: 1.8730159529062786
Energy: 1.8529497565283943
Energy: 1.8316571649815794
Energy: 1.7576580081189932
Energy: 1.7245877858018426
Energy: 1.7506020129811746
Energy: 1.8782237986314776
Energy: 1.8872926537566792
Energy: 1.8584345793849542
Energy: 2.060354036397435
Energy: 2.0643822299181918
Energy: 1.992765072496947
Energy: 1.848574987048501
Energy: 1.816719044443589
Energy: 1.6972414967524347
Energy: 1.9542803486828215
Energy: 1.831258542539209
Energy: 1.833490461620335
Energy: 1.9295016124565043
Energy: 1.8714312442455376
Energy: 1.9874402567542788
Energy: 1.8004641835313289
Energy: 2.160439579539005
Energy: 1.980860088131695
Energy: 1.947912502272087
Energy: 1.9849714184486105
Energy: 1.8761484716683665
Energy: 2.1515110546637883
Energy: 2.13868175845975
Energy: 2.0582487673731693
Energy: 1.9661402656400406
Energy: 1.976672504527551
Energy: 2.039773637645894
Energy: 1.9870233016486865
Energy: 1.9788472556683363
Energy: 1.957072204782515
Energy: 1.9214107413420665
Energy: 1.8673902961536297
Energy: 1.7620325349326704
Energy: 1.9375263926703221
Energy: 1.923211961597648
Energy: 2.102234927191129
Energy: 1.9005944459761543
Energy: 1.9218204540850348
Energy: 1.8095676030076893
Energy: 1.9361333161297494
Energy: 1.9622605600670533
Energy: 1.9366883879202696
Energy: 1.7673304523782174
Energy: 1.7503341932305831
Energy: 1.8554715439611698
Energy: 1.911960980447521
Energy: 1.9139773119462462
Energy: 1.9381986185622722
Energy: 2.0748551673376148
Energy: 1.8396841613875308
Energy: 1.6622306936227507
Energy: 1.9253958887552167
Energy: 1.7747829007238751
Energy: 1.8226467460358198
Energy: 2.045934978150123
Energy: 1.7176743185534151
Energy: 1.8745586021550484
Energy: 1.8342798382121095
Energy: 1.7584877749181516
Energy: 2.010977462508898
Energy: 1.8689644525427846
Energy: 1.807519448316541
Energy: 1.5590901134168862
Energy: 1.6650660314867356
Energy: 1.9258617847145205
Energy: 2.0553740615495193
Energy: 2.084040932162343
Energy: 1.8311380111485984
Energy: 1.8635771783479012
Energy: 1.6217158034514958
Energy: 1.8021823824361611
Energy: 1.8560727117679818
Energy: 1.7783144184166415
Energy: 1.6049433430685849
Energy: 1.63651612610529
Energy: 1.7356802953347643
Energy: 1.897757394344182
Energy: 1.8921591918903193
Energy: 1.7822305339245077
Energy: 1.745095787634571
Energy: 1.7160753995247298
Energy: 1.724508548319251
Energy: 1.9126294676636133
Energy: 1.6984924961280914
Energy: 1.9331765994985086
Energy: 1.9161833953575431
Energy: 1.86158682825781
Energy: 1.9689917355459172
Energy: 1.8755637139451664
Energy: 1.9852313628218141
Energy: 1.8655981251343838
Energy: 1.8142240699674248
Energy: 1.6823384221315318
Energy: 1.8140743844963003
Energy: 1.8601976494323431
Energy: 1.9059329462201053
Energy: 1.9708376059819557
Energy: 1.9319922539428953
Energy: 1.9543751269448155
Energy: 1.9505312876764767
Energy: 2.018044326285968
Energy: 1.812750161274839
Energy: 1.9652508870399021
Energy: 1.9621399338489498
Energy: 1.8700603812890197
Energy: 2.0030988439401667
Energy: 2.0314379477070115
Energy: 2.060061570160462
Energy: 1.9794948187645909
Energy: 1.9478292977919094
Energy: 1.927046276619073
Energy: 1.923026623923846
Energy: 2.1284110233592
Energy: 1.915931956794238
Energy: 1.9024141929232459
Energy: 1.8172856767575047
Energy: 1.9003020102878185
Energy: 1.9617704762151549

minimum gb energy = 1.5590901134168862 eV
minimum distance =  2.43824711762273 Angstroms
sigma value = 113


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

Energy: 1.989878698054806
Energy: 2.1449322220031286
Energy: 1.9321995452477396
Energy: 2.0624876119806164
Energy: 2.1138495774166954
Energy: 1.9087395791991522
Energy: 2.074239285868651
Energy: 1.965127233963689
Energy: 2.0922855383374186
Energy: 2.009483439627102
Energy: 2.083127485111229
Energy: 2.064394412039512
Energy: 1.961327065502603
Energy: 2.151346320026987
Energy: 2.0430087967935426
Energy: 1.9972116300397502
Energy: 1.9010674094309858
Energy: 1.9225632876144265
Energy: 1.9806629043230242
Energy: 1.9281882263854844
Energy: 1.9980839153525163
Energy: 1.9442163546962268
Energy: 2.0907477779675543
Energy: 1.8868033558215909
Energy: 1.9549143835800395
Energy: 1.9232266810500729
Energy: 1.843289189248322
Energy: 2.081616859645115
Energy: 1.7776052435986236
Energy: 1.9462418530518066
Energy: 1.9914335546792126
Energy: 2.015949069061712
Energy: 1.9304644377206703
Energy: 1.9446630585274065
Energy: 1.9310827728509032
Energy: 1.8096589822840763
Energy: 1.915786467523041
Energy: 1.848472362740915
Energy: 1.932158391582383
Energy: 1.87548740471154
Energy: 1.8662371452338653
Energy: 1.896659920046652
Energy: 1.9432389272353956
Energy: 1.8022143830390684
Energy: 1.9342252734497722
Energy: 1.8688506816218577
Energy: 1.8876214254609405
Energy: 1.9736523020313677
Energy: 2.0600159951963035
Energy: 1.9205152504017518
Energy: 1.7003628293974324
Energy: 1.8661212672086918
Energy: 1.883644577242584
Energy: 1.9407062251200375
Energy: 1.8940277101334853
Energy: 1.7244589158575303
Energy: 1.842992132576666
Energy: 1.9706313025361908
Energy: 1.867149786937931
Energy: 1.9074497329311322
Energy: 1.8205879563962148
Energy: 1.8178210268254886
Energy: 1.9569957502580022
Energy: 1.8079739963113448
Energy: 1.8491611051827597
Energy: 1.9115013947714299
Energy: 2.005657041315295
Energy: 1.955515728814766
Energy: 1.9391823881210182
Energy: 1.7864847302976707
Energy: 1.8240425954983426
Energy: 1.7621017541031643
Energy: 1.9144760218306718
Energy: 1.984041772313787
Energy: 1.9773557332952818
Energy: 1.738715043730284
Energy: 1.7765362093080457
Energy: 1.9975896855572945
Energy: 1.8017144126741256
Energy: 1.8506523353404476
Energy: 1.780098058283591
Energy: 1.793169110914303
Energy: 1.833483725125243
Energy: 1.883643235993798
Energy: 1.986011593208022
Energy: 1.7304907623047652
Energy: 1.8128983507840544
Energy: 1.9243057857579584
Energy: 1.9122738076843535
Energy: 1.8543152321909142
Energy: 1.8378598763216893
Energy: 1.8436651926112726
Energy: 1.8127062721191272
Energy: 1.9629790346251734
Energy: 1.9647181371486602
Energy: 1.9661738741151398
Energy: 1.9162926407560106
Energy: 1.8672472679745216
Energy: 1.7815108789702878
Energy: 1.912677792449177
Energy: 1.8033529711081762
Energy: 1.9688930886436484
Energy: 1.9269399640646578
Energy: 1.861559400864118
Energy: 1.9226977032070527
Energy: 1.7532387792168342
Energy: 1.8913725939358104
Energy: 1.9593706680188396
Energy: 1.9739587175109088
Energy: 2.018246664669371
Energy: 1.8930642973235523
Energy: 1.862620521564745
Energy: 1.9862785281935424
Energy: 2.0097324526836067
Energy: 1.8541226935092678
Energy: 1.890714434872771
Energy: 1.8648914900002604
Energy: 1.8874288210543237
Energy: 2.1397342704050635
Energy: 1.900037130965343
Energy: 1.9268169172194944
Energy: 1.8752794677494147
Energy: 1.8936437936726578
Energy: 1.797739002611544
Energy: 1.8782956286498822
Energy: 1.9790422981081794
Energy: 1.924409404899517
Energy: 1.9887661745216303
Energy: 1.9581511443697353
Energy: 1.995886618810483
Energy: 2.0088067716814306
Energy: 2.040098355658654
Energy: 2.0655582131696035
Energy: 1.9118822094577532
Energy: 2.077147939880219
Energy: 1.8796696360917733
Energy: 2.0185871142836636
Energy: 2.0450261460935266
Energy: 1.9328159940255758
Energy: 2.0625152764417383
Energy: 1.9881627031862212
Energy: 2.089354010124222
Energy: 1.9838690921648487
Energy: 2.030672177526216
Energy: 1.9367381407050765
Energy: 1.9428669495522555
Energy: 2.076752438047344
Energy: 1.9395941413981752
Energy: 2.107970930102454
Energy: 2.0199903121484057
Energy: 2.0006790822254716
Energy: 2.019521484829856
Energy: 1.961102959226872
Energy: 2.080224527724215
Energy: 1.94396606228444
Energy: 2.0716218633105954
Energy: 1.9136708954394286
Energy: 2.0573283600263865
Energy: 2.0737030903405294
Energy: 1.9186699094709765
Energy: 2.046148239018983
Energy: 1.948513417855661
Energy: 2.0614333381382277
Energy: 2.0116526469185043
Energy: 2.126704566164176
Energy: 2.0401412592925254
Energy: 1.9761952169407533
Energy: 2.0820697429487245
Energy: 1.980815584475307
Energy: 1.965309201992086
Energy: 1.921290134346447
Energy: 1.93555496597221
Energy: 1.900304984261596
Energy: 1.9475673634387618
Energy: 2.000471776066236
Energy: 2.001770035310212
Energy: 2.0918209222980897
Energy: 1.8824584089106637
Energy: 1.9604025371021598
Energy: 1.907776510284144
Energy: 1.8427000859267666
Energy: 2.092740096551349
Energy: 1.7743477904019713
Energy: 2.022420110645387
Energy: 1.9953696595474837
Energy: 2.0153245893369327
Energy: 1.9945169691682978
Energy: 1.9709403161347925
Energy: 1.9433016028642744
Energy: 1.8103160536908964
Energy: 1.882670352965965
Energy: 1.8738284191506729
Energy: 2.0119512017762693
Energy: 1.87282097631549
Energy: 1.8416734440964178
Energy: 1.909947812224597
Energy: 1.9378873200804414
Energy: 1.8449614133081806
Energy: 1.9302854029877068
Energy: 1.944161967629514
Energy: 1.9500408480579274
Energy: 1.960492285002231
Energy: 1.908815404136372
Energy: 1.9239462888739296
Energy: 1.6854348153023047
Energy: 1.829515863881525
Energy: 1.919955613310809
Energy: 1.9455536786030991
Energy: 1.8495431343052562
Energy: 1.88357453671999
Energy: 1.8792473881265765
Energy: 1.8826056023389273
Energy: 1.8937667846742345
Energy: 1.8949908441669328
Energy: 1.8105580427165548
Energy: 1.8470134530851052
Energy: 1.9756012385930528
Energy: 1.8620898674812052
Energy: 1.8435577169129291
Energy: 1.9174899419461702
Energy: 1.8623436129010427
Energy: 1.948236664260652
Energy: 1.9314140750419098
Energy: 1.7996218230381724
Energy: 1.8354021227810011
Energy: 1.8159891014870966
Energy: 1.8821667960800337
Energy: 1.867439742104452
Energy: 1.9933688582601574
Energy: 1.8785185027239546
Energy: 1.7402423389241328
Energy: 1.87643937865363
Energy: 1.814487341180084
Energy: 1.8477914202064534
Energy: 1.8400631319027352
Energy: 1.7911825335323706
Energy: 1.827300251399855
Energy: 2.020496027553923
Energy: 1.9547549448092763
Energy: 1.6585100869462788
Energy: 1.8269462893979669
Energy: 1.827285461167745
Energy: 1.9335994223844541
Energy: 1.8554977129203194
Energy: 1.739386150881563
Energy: 1.8724881622773433
Energy: 1.8144542226461353
Energy: 1.9860228825361286
Energy: 1.8647722784340786
Energy: 1.9839361641003752
Energy: 1.9336636442307973
Energy: 1.9482553880489353
Energy: 1.7769320664566857
Energy: 1.9016401058195622
Energy: 1.836482331542076
Energy: 1.949525384175015
Energy: 1.899554676431467
Energy: 1.8653082256776186
Energy: 1.8516862488220187
Energy: 1.758026926432661
Energy: 1.904367929155339
Energy: 1.965955846196462
Energy: 1.9457368996964122
Energy: 1.9434293414795036
Energy: 1.8802418216708248
Energy: 1.8415087327198891
Energy: 1.9647630756504117
Energy: 2.046646410600033
Energy: 1.8534725777313505
Energy: 1.8811634792355665
Energy: 1.8599459785648231
Energy: 1.80778464259586
Energy: 2.115724375707749
Energy: 1.9544833259634027
Energy: 1.969768938929193
Energy: 1.8733258820774024
Energy: 1.882841893766803
Energy: 1.9173025976476146
Energy: 1.8702259082781112
Energy: 1.9089551149218182
Energy: 1.9201789142654817
Energy: 1.9811700846308204
Energy: 1.9743625525985093
Energy: 2.0829679368407734
Energy: 2.0578705899262904
Energy: 1.9956409952355576
Energy: 2.0162565053340913
Energy: 1.934681613528473
Energy: 2.001654210949483
Energy: 1.8594227853691139
Energy: 2.0180841817304005
Energy: 2.074194209555338
Energy: 1.9057936762274044
Energy: 2.051811969861771
Energy: 1.97768777924937
Energy: 2.080489597263977
Energy: 1.9801477438469945
Energy: 1.9942951664942377
Energy: 1.9830956118351606
Energy: 1.9234376702125164
Energy: 2.087261102415162
Energy: 2.030056529635214
Energy: 2.1564060729847507
Energy: 2.0208281474063514
Energy: 2.071710785942598
Energy: 1.9770324785045732
Energy: 1.9692732699190014
Energy: 2.1606551211027725
Energy: 1.9697446311436004
Energy: 2.0909438823736406
Energy: 1.9432505790287817
Energy: 2.0437476017999225
Energy: 2.0776542853264424
Energy: 1.935650937774804
Energy: 2.0778149752494173

minimum gb energy = 1.6585100869462788 eV
minimum distance =  2.43057829978505 Angstroms
sigma value = 365


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

Energy: 1.6303175895450635
Energy: 1.8712057172357306
Energy: 1.5605439820381768
Energy: 1.6163330747881792
Energy: 1.6176666558265356
Energy: 1.5604537234448668
Energy: 1.6347037081408202
Energy: 1.657345827594621
Energy: 1.8181680884797977
Energy: 1.5930037525147522
Energy: 1.5691336442441401
Energy: 1.5682648258003118
Energy: 1.5931213432890743
Energy: 1.9400007909047055
Energy: 1.7052489853368094
Energy: 1.880152043322374
Energy: 1.6454903955974365
Energy: 1.6482185350269911
Energy: 1.577982605136104
Energy: 1.5951883224956642
Energy: 1.6437567761031642
Energy: 1.7028502399501457
Energy: 1.8867858639672461
Energy: 1.6178287010287873
Energy: 1.6208652696188643
Energy: 1.6214642790077332
Energy: 1.615976643931731
Energy: 1.6583631306785946
Energy: 1.7140594289220124
Energy: 2.0503884355901145
Energy: 1.5576731734066622
Energy: 1.9500010683068638
Energy: 1.5716983677786431
Energy: 1.5555710838142043
Energy: 1.955858716266114
Energy: 1.6314685584771076
Energy: 1.9003806166403614
Energy: 1.5616214620132394
Energy: 1.6178331365216234
Energy: 1.6182687058178769
Energy: 1.5602834105416177
Energy: 1.6590876234270482
Energy: 1.6314814753343798
Energy: 1.8186421700279911
Energy: 1.5982816573710759
Energy: 1.5524475240072029
Energy: 1.5943536449129982
Energy: 1.5960760966030965
Energy: 1.9568405161138072
Energy: 1.6339609182756019
Energy: 1.8843221707603732
Energy: 1.5970121529288277
Energy: 1.5646374521400321
Energy: 1.5640302274767852
Energy: 1.597644757085675
Energy: 2.0095046801460095
Energy: 1.6322200950721688
Energy: 1.8841229537145368
Energy: 1.5624377520483124
Energy: 1.6182583095400462
Energy: 1.6189806703378504
Energy: 1.6136838371783033
Energy: 1.6588795769390745
Energy: 1.7133443767290204
Energy: 2.0203009255960627
Energy: 1.5523797243254651
Energy: 1.9504159594838724
Energy: 2.083604068713178
Energy: 1.5558402392711699
Energy: 1.9536517017626367
Energy: 1.6336858818144306
Energy: 1.879579901558608
Energy: 1.5629750478177507
Energy: 1.6195237941446459
Energy: 1.6202635433409749
Energy: 1.6150350184035163
Energy: 1.657811836379421
Energy: 1.7040139215263113
Energy: 1.8785471444645532
Energy: 1.5966359497516192
Energy: 1.5507250656728184
Energy: 1.5648467281214218
Energy: 1.5943788532014198
Energy: 2.0097838659847205
Energy: 1.6355303121535816
Energy: 1.9547729435004264
Energy: 1.5972991262079899
Energy: 1.5836924647576565
Energy: 1.5661166273280773
Energy: 1.5967973233756203
Energy: 1.9390671536089397
Energy: 1.6304115219260686
Energy: 1.8109889586081718
Energy: 1.5609963678844112
Energy: 1.6174161639835258
Energy: 1.6180988044638496
Energy: 1.5609204419929679
Energy: 1.6359116963830502
Energy: 1.71456919233734
Energy: 2.0531387569809834
Energy: 1.5525412704349133
Energy: 1.5703238553722136
Energy: 1.5695005713603634
Energy: 1.5939850416568702
Energy: 1.9544840190448156
Energy: 1.703162553986663
Energy: 1.8837289367079033
Energy: 1.6472541171568456
Energy: 1.64700256557557
Energy: 1.5878841802813461
Energy: 1.644505990416048
Energy: 1.6428050554371634
Energy: 1.7029168535095482
Energy: 1.8876645352386192
Energy: 1.6468628858293384
Energy: 1.6471495420646263
Energy: 1.588358332305239
Energy: 1.6440421779288634
Energy: 1.6430482447038253
Energy: 1.6972859271614302
Energy: 2.0523944956738456
Energy: 1.5934686149417732
Energy: 1.5690211031360088
Energy: 1.5700188428028259
Energy: 1.5930185189768393
Energy: 1.939156793641205
Energy: 1.6302191781750297
Energy: 1.8760275070181403
Energy: 1.560730302098052
Energy: 1.616866308609795
Energy: 1.6172835923619928
Energy: 1.5600898518223596
Energy: 1.6361279636522137
Energy: 1.7260640418779598
Energy: 1.8180678835595243
Energy: 1.5933378825826472
Energy: 1.5667180782581551
Energy: 1.5957648144622594
Energy: 1.5943332821593654
Energy: 1.9421495375828088

minimum gb energy = 1.5507250656728184 eV
minimum distance =  2.45970209539785 Angstroms
sigma value = 23