Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453839400052
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.17466493497198e-19, 4.1841964320553797e-19, 4.93795645128702e-19, 5.548081335280559e-19, 6.0612585111507595e-19, 6.50240182555632e-19, 6.886683891221219e-19, 7.224246486238679e-19, 7.52225134016268e-19, 7.786001657651759e-19, 8.019599010888959e-19, 8.22624775314228e-19, 8.408559432325139e-19, 8.56869698689344e-19, 8.70843883291092e-19, 8.82930703817988e-19, 8.932631409306539e-19, 9.019533469934699e-19, 9.09100656957744e-19, 9.14791588361712e-19, 9.19107852213708e-19, 9.22115137755726e-19, 9.2387913422976e-19, 9.24455917818e-19, 9.23834273284008e-19, 9.218155307251679e-19, 9.181401375267718e-19, 9.12498873598458e-19, 9.0451682960787e-19, 8.93745396097488e-19, 8.796382308351179e-19, 8.61527226164382e-19, 8.38600078531842e-19, 8.09845814481444e-19, 7.74013134062034e-19, 7.2953510852556e-19, 6.744362540823e-19, 6.061931425337039e-19, 5.2156457054919e-19, 4.1633040487480194e-19, 2.8494070565036395e-19, 1.199791574547534e-19, -8.859588176562479e-20, -3.5464340011253396e-19, -6.97626158682816e-19, -1.1455482824268298e-18, -1.73969145449622e-18, -2.5428465793540796e-18, -3.6539240315004e-18, -5.2355767828188596e-18, -7.56973985559444e-18, -1.117848250601604e-17, -1.71147712397148e-17, -2.77626769316154e-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: 0.0214431498513126
Energy: 0.18294622885035045
Energy: 0.181504257420592
Energy: 0.1812522039848404
Energy: 0.026945928577691316
Energy: 0.023479373642540623
Energy: 0.18206417837118993
Energy: 0.18142105486680585
Energy: 0.18301609063866722
Energy: 0.025974569736285032
Energy: 0.18193620521461443
Energy: 0.18252393699342503
Energy: 0.182553634233414
Energy: 0.18301142600484996
Energy: 0.18361611340432032
Energy: 0.18266624798010178
Energy: 0.18492964970787087
Energy: 0.18244392930986708
Energy: 0.18198733010674484
Energy: 0.18481415431316098
Energy: 0.18206672282952213
Energy: 0.026270903394682042
Energy: 0.02212208562737531
Energy: 0.18345449920798582
Energy: 0.1833424113060421
Energy: 0.18431793839906715
Energy: 0.025172064076524784
Energy: 0.02214630716988045
Energy: 0.1826975906454825
Energy: 0.18487728664414474
Energy: 0.18191952699720843
Energy: 0.023661214053769173
Energy: 0.023005972329209607
Energy: 1.0162711449510984
Energy: 0.18217899523142791
Energy: 0.18239662009446647
Energy: 0.02329537220818381
Energy: 0.02244339846806941
Energy: 1.014972258431226
Energy: 0.18177979890615079
Energy: 0.18215252909892626
Energy: 0.18274823183745362
Energy: 0.18352580630645338
Energy: 0.02378422216186381
Energy: 0.022766165548053715
Energy: 0.1815620550929441
Energy: 0.18454165329772193
Energy: 0.18338850899100337
Energy: 0.02502019256610779
Energy: 0.18101793418743276
Energy: 1.0169037326479955
Energy: 0.18375623549008852
Energy: 0.18352981477743854
Energy: 0.022830178210762546
Energy: 0.021936840991444998
Energy: 1.0160036220242248
Energy: 1.168708455452336
Energy: 0.18446362559244645
Energy: 0.023293540619282477
Energy: 0.02213675377889894
Energy: 0.021820860792841002
Energy: 0.18357736835175287
Energy: 0.18177741841929843
Energy: 0.18444394389391242
Energy: 0.18491494708228845
Energy: 0.02205681837799538
Energy: 0.18476656546499143
Energy: 0.18208897082031691
Energy: 0.18572148828111393
Energy: 0.18478474556133392

minimum gb energy = 0.0214431498513126 eV
minimum distance =  2.73356694507868 Angstroms
sigma value = 3


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

Energy: 1.893815032569796
Energy: 1.983295334541837
Energy: 1.724257145767234
Energy: 1.7110116562880124
Energy: 2.258864901237335
Energy: 1.7651131435801737
Energy: 2.120804391277876
Energy: 1.7205539579079838
Energy: 1.727099220332204
Energy: 2.242420752384656
Energy: 2.5653762888502816
Energy: 2.6231431987357543
Energy: 2.1280647211367345
Energy: 2.0181484243043677
Energy: 1.8942753988523486
Energy: 2.5173515707957757
Energy: 2.3824594193739066
Energy: 1.982059781274159
Energy: 2.0877371269492575
Energy: 1.839722988569824
Energy: 1.8335539308271491
Energy: 2.3790117403994295
Energy: 2.3379774324664186
Energy: 1.9052735229661262
Energy: 1.8181011271832603
Energy: 1.7530741698640238
Energy: 2.3773724933026967
Energy: 2.337976451864683
Energy: 1.8565598503739686
Energy: 1.8543053890204886
Energy: 1.8951278246663035
Energy: 2.2364524818004163
Energy: 2.4319263929841646
Energy: 1.9221333591590037
Energy: 1.8362684062146009
Energy: 1.9066491572341429
Energy: 2.3218381279139297
Energy: 2.425154696914156
Energy: 1.9868045823114322
Energy: 1.8581005000558921
Energy: 2.2860743997668833
Energy: 2.2115954908691786
Energy: 2.2690993137246287
Energy: 2.36368578378621
Energy: 2.2782438032179058
Energy: 2.2855325729882003
Energy: 2.2032866491743714
Energy: 2.310402662745062
Energy: 2.3910692603926074
Energy: 2.2425499818195096
Energy: 2.2934568660081016
Energy: 1.884907139080658
Energy: 2.2557443386098126
Energy: 2.1031594507005433
Energy: 2.345808003520704
Energy: 1.883198208792565
Energy: 1.8884622896835155
Energy: 2.2037356427129375
Energy: 2.3877665884532218
Energy: 2.359363506678425
Energy: 2.0581413414954097
Energy: 2.1337898180803077
Energy: 2.43812374066581
Energy: 1.9996142000407948
Energy: 2.2567973832157517
Energy: 2.0800218239846107
Energy: 2.140827396017808
Energy: 2.426457349329003
Energy: 2.015031161954119
Energy: 2.2174974902983777
Energy: 1.7286912127488148
Energy: 1.9836293481271352
Energy: 2.609297676869458
Energy: 2.7319555490940837
Energy: 1.8368208899743481
Energy: 1.7303235018165442
Energy: 1.9922217526289243
Energy: 1.7747647529423447
Energy: 2.254578153886675
Energy: 1.8317134290262536
Energy: 2.0094873712856263
Energy: 2.164556572011112
Energy: 2.021909806849551
Energy: 2.539749633244833
Energy: 2.2302941365822653
Energy: 2.1411220089079026
Energy: 2.098742379839445
Energy: 2.1126037672129345
Energy: 2.5684501975073646
Energy: 2.2523300557749693
Energy: 2.2101267027165554
Energy: 1.8761271391923802
Energy: 1.8243112498904928
Energy: 1.9256449789588272
Energy: 2.4000355954888626
Energy: 1.894898226116282
Energy: 1.859023898498818
Energy: 1.7411895613710702
Energy: 1.906027366811599
Energy: 2.3472977090613156
Energy: 2.4048980370439073
Energy: 1.8637354222171205
Energy: 1.775936541421552
Energy: 1.9055804087483683
Energy: 2.306564263807267
Energy: 2.4949658782628554
Energy: 1.689023581405861
Energy: 1.8483882913096314
Energy: 2.208062528089292
Energy: 2.3538071916607817
Energy: 2.4321097260816207
Energy: 2.3760613941530826
Energy: 2.319683272983161
Energy: 2.2100135511856305
Energy: 2.31510618017623
Energy: 2.3848030662068473
Energy: 2.016869833286245
Energy: 2.3012796173758825
Energy: 2.2874648321787596
Energy: 2.3191121023743877
Energy: 2.118108588100827
Energy: 2.3008186700495767
Energy: 2.3692007704230242
Energy: 1.8889965326477764
Energy: 1.9237506357843888
Energy: 2.174458420621759
Energy: 2.267998111852108
Energy: 2.3419157727845
Energy: 1.8839440956585418
Energy: 2.043763582435049
Energy: 2.080632677677445
Energy: 2.2273911393937325
Energy: 2.0637810318797563
Energy: 2.097863884616316
Energy: 2.5387926236675384
Energy: 2.065405959358105
Energy: 2.2277128144167193
Energy: 2.128729323148513
Energy: 2.0969800051587355
Energy: 2.490571888097352
Energy: 1.7660808083572297
Energy: 2.126040737537861
Energy: 1.7058350837950225
Energy: 1.706422065301765
Energy: 2.23553763436163
Energy: 1.8833964316809595
Energy: 1.9804780737856733
Energy: 1.6995228552577168
Energy: 1.7014439579166387
Energy: 2.2457428259172723
Energy: 2.506265696610166
Energy: 2.3475146556198205
Energy: 1.900840956137148
Energy: 2.087935016426244
Energy: 1.7704450865911672
Energy: 2.567584599692872
Energy: 2.3720032867975385
Energy: 1.9866645290813705
Energy: 2.0177971289215666
Energy: 1.8980629958032342
Energy: 1.717694905495907
Energy: 2.436000910340943
Energy: 2.3386582580927757
Energy: 1.8434521921785012
Energy: 1.8559793431838032
Energy: 1.842219375404868
Energy: 2.3785939568685626
Energy: 2.339813459448875
Energy: 1.9143468606380099
Energy: 1.8190513373509447
Energy: 1.8843427205781234
Energy: 2.1370262216253657
Energy: 2.434309589240022
Energy: 1.9749396785030857
Energy: 1.5156406273612792
Energy: 1.866435920743789
Energy: 2.084620753601692
Energy: 2.4154079795225636
Energy: 1.6310408757896058
Energy: 1.5101995675155953
Energy: 2.2430051231831447
Energy: 2.2554778653818466
Energy: 2.2685387588484547
Energy: 2.3744729024843263
Energy: 2.2813102355156385
Energy: 2.2567957369876535
Energy: 2.1870592491764134
Energy: 2.2662598276283257
Energy: 2.36252912377613
Energy: 2.2520106002630618
Energy: 1.8844842088391256
Energy: 1.8824339036174644
Energy: 2.2104800648381135
Energy: 2.1137907775473264
Energy: 2.3649662768204363
Energy: 1.8826779457181024
Energy: 1.8876343312106318
Energy: 2.264708820696241
Energy: 1.67908984335737
Energy: 2.3474755936103633
Energy: 2.1280015158123873
Energy: 2.1369509459410088
Energy: 2.42057748596176
Energy: 2.0081713483134154
Energy: 2.2801316855841636
Energy: 2.0818083416577986
Energy: 2.115418246965452
Energy: 2.43661442663873
Energy: 1.9615826037859219
Energy: 2.1653714379996165
Energy: 1.7207229133691695
Energy: 1.9898918459378352
Energy: 2.6211662754042875
Energy: 2.1756487392142008
Energy: 1.8492056215934052
Energy: 1.722235666762673
Energy: 1.9883932380185982
Energy: 2.6234647763489085
Energy: 2.1737380260151045
Energy: 1.836564052257003
Energy: 2.0098307327304115
Energy: 2.0679351852858523
Energy: 1.7712116168018412
Energy: 2.5135229420665555
Energy: 2.254500716893002
Energy: 2.0119844434882346
Energy: 1.7669412398163984
Energy: 1.9714946066382926
Energy: 2.559356172562963
Energy: 2.2162385397774904
Energy: 2.181275592863032
Energy: 1.896278270783191
Energy: 1.6824429932094047
Energy: 1.9325543422983569
Energy: 2.329182006641525
Energy: 2.19431268019051
Energy: 1.8763813565176797
Energy: 1.6366290312388148
Energy: 1.949180092557769
Energy: 2.344168926297283
Energy: 2.408678711840413
Energy: 1.8038061698509325
Energy: 1.7725755772206158
Energy: 1.9644083864468789
Energy: 2.34002570198068
Energy: 1.973983948749071
Energy: 1.8082568764007143
Energy: 1.7758842178108503
Energy: 1.927510742165167
Energy: 2.3489842188793064
Energy: 2.4650188404860174
Energy: 2.148896418231934
Energy: 2.0090501926867046
Energy: 2.193940540528246
Energy: 2.3377089746319992
Energy: 2.383277898140576
Energy: 2.1178745242533896
Energy: 2.0068404518735945
Energy: 2.23556887108169
Energy: 2.3662609813669544
Energy: 2.15985561152001
Energy: 1.6778807612901114
Energy: 2.234089516778384
Energy: 1.8865182698851863
Energy: 1.8829327921681873
Energy: 2.1293726214424633
Energy: 2.3265015530676156
Energy: 2.253206416419235
Energy: 1.8814510936591498
Energy: 1.9967942260278384
Energy: 2.252443573852375
Energy: 2.3783790785828667
Energy: 2.1423856970486077
Energy: 2.1123972647866895
Energy: 2.375826248743752
Energy: 1.9467980182683275
Energy: 2.3440912759967603
Energy: 2.1873132308887766
Energy: 2.1312173363513383
Energy: 2.4552127416941394
Energy: 1.8878954673086208
Energy: 1.9871079113381753
Energy: 1.707275059841664
Energy: 1.697478420180012
Energy: 2.357527985030184
Energy: 1.7745091980350811
Energy: 2.118914491004418
Energy: 1.7125362004254407
Energy: 1.7065932147642067
Energy: 2.4295013407645203

minimum gb energy = 1.5101995675155953 eV
minimum distance =  2.44214250313878 Angstroms
sigma value = 75


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

Energy: 2.712260221430018
Energy: 2.1164969354975383
Energy: 2.075620764867204
Energy: 2.0768185137460557
Energy: 2.310466756259846
Energy: 2.6174988972403668
Energy: 2.1480077964121453
Energy: 2.0414353482718357
Energy: 2.1204600735520787
Energy: 2.0881282635306153
Energy: 2.497820940419801
Energy: 2.474263070222734
Energy: 2.2059923589307324
Energy: 1.7287896128120284
Energy: 1.826956080495101
Energy: 2.4680852860316027
Energy: 2.4106381020041434
Energy: 2.1478869015914306
Energy: 1.7929986262635267
Energy: 1.8850542633658725
Energy: 2.0486321232009597
Energy: 2.069728345870136
Energy: 2.0564702784275077
Energy: 1.9046981190712158
Energy: 1.7702088012130481
Energy: 2.0284826508363407
Energy: 2.0563325810235944
Energy: 2.0565307879856567
Energy: 1.925353535969958
Energy: 1.768011339042245
Energy: 2.0489611963494796
Energy: 2.0483878664851813
Energy: 2.4685313730498817
Energy: 1.9257208942039283
Energy: 1.7631078944148197
Energy: 2.085637834554807
Energy: 2.3518730567754984
Energy: 2.412473523237066
Energy: 1.9004819243327227
Energy: 1.763696744222643
Energy: 2.578884131074079
Energy: 2.3022188286304766
Energy: 1.83505439989188
Energy: 2.0097261464345215
Energy: 2.0252039794249
Energy: 2.580296586712432
Energy: 2.317541725741811
Energy: 2.2365837171181435
Energy: 1.9990445080352166
Energy: 2.2531945928964268
Energy: 2.197713137918442
Energy: 2.5893945065633175
Energy: 2.2268134797804717
Energy: 2.175900267263871
Energy: 2.1358781593143035
Energy: 2.2602414742283865
Energy: 2.592360380698079
Energy: 2.192896815655607
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Energy: 2.1138066519040217
Energy: 1.8611209709104215
Energy: 2.452464370344716
Energy: 2.391366812788238
Energy: 2.1781787423515016
Energy: 1.8267969160306181
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Energy: 2.4659596297258246
Energy: 2.348381499838292
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Energy: 1.821957371931706
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Energy: 2.0575922547578833
Energy: 2.0554088230542216
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Energy: 2.056546812044144
Energy: 1.9331694031789552
Energy: 1.8346314263749026
Energy: 2.132179048208226
Energy: 2.2975321153653443
Energy: 2.2470208992990126
Energy: 1.8950323321234728
Energy: 1.834278593808013
Energy: 2.126552003248592
Energy: 2.295351814899281
Energy: 2.246208056479988
Energy: 1.8953790122337435
Energy: 2.0069430815829077
Energy: 2.6565573202166024
Energy: 2.222534864435
Energy: 2.2434551033663537
Energy: 2.0112703515671173
Energy: 2.2612513511238115
Energy: 2.5201659697139904
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Energy: 2.0140048025108053
Energy: 2.193734666815332
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Energy: 2.558309942146824
Energy: 1.9152866265823854
Energy: 2.093033698193457
Energy: 1.838233648347672
Energy: 2.2128811168072193
Energy: 2.552836450814255
Energy: 1.9082529980428893
Energy: 2.0858292733001544
Energy: 1.8497518498433048
Energy: 1.8834787675078333
Energy: 2.103353826166404
Energy: 2.3601347069184238
Energy: 1.874899293586321
Energy: 1.849753020373131
Energy: 1.9382174440625841
Energy: 2.4537926200719746
Energy: 2.6064001313522343
Energy: 1.8781916052304768
Energy: 1.988966453362321
Energy: 1.7624374462046426
Energy: 1.9973475114334902
Energy: 2.056579846377067
Energy: 2.1091446347449145
Energy: 1.8696933057770981
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Energy: 1.995678962875338
Energy: 2.059396453735464
Energy: 2.1174035358916905
Energy: 2.223109073434976
Energy: 1.956041052814778
Energy: 2.136832606067092
Energy: 2.3595142623567154
Energy: 2.2474111383319118
Energy: 2.2095343280411543
Energy: 1.8797929339201382
Energy: 2.140903728306072
Energy: 1.896440088818572
Energy: 2.2627903290709006
Energy: 2.013208698305004
Energy: 2.337186603795239
Energy: 2.6581066191902902
Energy: 2.257868122515671
Energy: 2.01403195801734
Energy: 2.030270042764409
Energy: 2.334493096807907
Energy: 2.6380855960719782
Energy: 2.225574195531654
Energy: 2.0057565739884007
Energy: 2.103201477802717
Energy: 2.1669669379803254
Energy: 2.238753961103644
Energy: 2.655642088933737
Energy: 2.011300542581448
Energy: 2.0898978717451304
Energy: 1.8419279184965773
Energy: 2.234984403867629
Energy: 2.631420417493416
Energy: 1.8623633446997336
Energy: 1.8958629403952099
Energy: 1.9173776656226063
Energy: 1.8859788814569394
Energy: 2.1045390571112206
Energy: 2.0572552351875912
Energy: 1.887431861160222
Energy: 1.8957683850623521
Energy: 1.823814884150278
Energy: 2.4352298673123483
Energy: 2.057401094763618
Energy: 2.0475632181279617
Energy: 1.7610495857716915
Energy: 1.7623095120884733
Energy: 1.9973160656319833
Energy: 2.0579375833069324
Energy: 2.0107431221304024
Energy: 1.760967169119697
Energy: 1.7968582509966187
Energy: 1.9862488209009521
Energy: 2.0581842958142706
Energy: 2.199037378562295
Energy: 2.1994423265849834
Energy: 2.0910444601961844
Energy: 2.12464949211805
Energy: 1.9678020197247597
Energy: 2.234694583355087
Energy: 1.884934181576949
Energy: 2.0338788130313383
Energy: 2.0528941770570075
Energy: 2.2995748507350475
Energy: 2.0016867754096186
Energy: 2.0263926429782804
Energy: 2.3346370099471208
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minimum gb energy = 1.7287896128120284 eV
minimum distance =  2.43765309377323 Angstroms
sigma value = 105


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

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Energy: 2.102977481435155
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Energy: 1.9323577743685283
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Energy: 2.003626610400448
Energy: 1.8301727046881213
Energy: 1.8048161764449242
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Energy: 2.5461101508530217
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Energy: 1.811516489224238
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Energy: 2.3221371837645797
Energy: 1.8989332979401374
Energy: 1.9151183609513314
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Energy: 2.2955825221582304
Energy: 2.427280322251498
Energy: 1.9281114203065828
Energy: 2.1363142587258186
Energy: 2.0676015464715474
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Energy: 2.4471796963414865
Energy: 1.9539451175486684
Energy: 2.1244111469264664
Energy: 2.0400304455777363
Energy: 2.3073650293938743
Energy: 2.3476430221593345
Energy: 2.3883798995765635
Energy: 1.9041536496680433
Energy: 2.0886852924403607
Energy: 2.3955088751145266
Energy: 2.347557185665272
Energy: 2.473742697904574
Energy: 1.9036255677593923
Energy: 2.166965505275719
Energy: 1.9752518397599164
Energy: 1.93878032595205
Energy: 1.9132942078591553
Energy: 2.2651893921624677
Energy: 2.133865551550693
Energy: 1.9712889225085042
Energy: 1.9525910564417803
Energy: 1.929142347586053
Energy: 2.24747443451238
Energy: 2.3119912762709722
Energy: 2.577816411993903
Energy: 1.8000015943987522
Energy: 1.7373130839075233
Energy: 1.7222200314246503
Energy: 2.2214602781917474
Energy: 2.5184778645210324
Energy: 1.8080035248414141
Energy: 1.7035305020727798
Energy: 1.6922532796962575
Energy: 2.395563511826724

minimum gb energy = 1.685737594737005 eV
minimum distance =  2.46457643966201 Angstroms
sigma value = 165


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

Energy: 1.834264896673001
Energy: 1.7063684196431612
Energy: 1.8121188920690778
Energy: 1.8517373404402802
Energy: 2.2156038493746197
Energy: 1.8355003767573788
Energy: 1.935501552154119
Energy: 1.811945579842588
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Energy: 2.2189804455806503
Energy: 1.982169643973869
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Energy: 1.8186447223420568
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Energy: 1.9986522086738094
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Energy: 1.6874967583310352
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Energy: 1.9308861991841124
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Energy: 1.8409722906120622
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Energy: 1.7185795368958268
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Energy: 2.0349302835390723
Energy: 1.8223193547999121
Energy: 1.7666973251488798
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Energy: 2.081401879036056
Energy: 2.033780500388205
Energy: 1.8082861159139287
Energy: 1.8904966298436332
Energy: 2.0337515769590513
Energy: 2.200469604343201
Energy: 2.304393120754722
Energy: 1.7288682882885529
Energy: 1.7690694881486833
Energy: 1.9254086554515424
Energy: 2.3796410534677546
Energy: 2.3050209065437355
Energy: 1.7284750998072014
Energy: 1.7690152501892205
Energy: 1.924959822277878
Energy: 1.7005293708762026
Energy: 2.291109301677692
Energy: 1.9786557540180398
Energy: 1.5461038896778143
Energy: 1.919715684223535
Energy: 2.19992234194944
Energy: 2.289724675441147
Energy: 2.2087228941463497
Energy: 1.5620082374748951
Energy: 1.9197195101600546
Energy: 2.3184471695601068
Energy: 1.7251688666065952
Energy: 1.926403273756653
Energy: 1.8132263133083435
Energy: 1.984310332133354
Energy: 2.3192528999368194
Energy: 1.726056117731645
Energy: 1.7897567196556186
Energy: 2.008417355476205
Energy: 1.797766106588742

minimum gb energy = 1.5461038896778143 eV
minimum distance =  2.48258730505011 Angstroms
sigma value = 41


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

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Energy: 1.5083702017636922
Energy: 1.5824343722751388
Energy: 1.5676488605895222
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Energy: 2.3381914502982566
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Energy: 1.7255674730690709
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Energy: 2.1918619908914216
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Energy: 2.1227841325109975
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Energy: 1.6279000903037746
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Energy: 2.363324281394415
Energy: 2.5111908655425856
Energy: 1.6028334413208523
Energy: 1.8300333536334337
Energy: 1.8230729275120094
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Energy: 1.8179404180675809
Energy: 1.6949091948940789
Energy: 1.7429833191509596
Energy: 1.852425642706732
Energy: 1.932917782562105
Energy: 1.7726415561433089
Energy: 1.685492992431951
Energy: 1.74219007480317
Energy: 1.975037736020297
Energy: 2.340364866727073
Energy: 1.5542468541883925
Energy: 1.4846005288203032
Energy: 1.4883961629527132
Energy: 1.8909296410627394
Energy: 2.3295881306460315
Energy: 1.5378484690872558
Energy: 1.4854903825925942
Energy: 1.4813421488494674
Energy: 1.5564249300078554
Energy: 2.5338206902664004
Energy: 1.6690827884071242
Energy: 1.5027966546335967
Energy: 1.5125437258015981
Energy: 1.5723839645837387
Energy: 2.5379600681778505
Energy: 1.6262810971821937
Energy: 1.50682147897482
Energy: 1.5914415111144293
Energy: 1.544061709337224
Energy: 1.7543543790072111
Energy: 1.6615592777228136
Energy: 1.527095595115469
Energy: 1.482627624468668
Energy: 1.588097995454842
Energy: 1.7335878532024531
Energy: 1.626909507106941
Energy: 1.5023384053541868
Energy: 1.500448812600136
Energy: 2.497830861961379
Energy: 1.5271287151341293
Energy: 1.4858514797333227
Energy: 1.4940487217118916
Energy: 1.8529810340232178
Energy: 2.3288318934542973
Energy: 1.5482482163846887
Energy: 1.4718066938624323
Energy: 1.479775543354675
Energy: 2.011904226731012

minimum gb energy = 1.4551423885766848 eV
minimum distance =  2.53075479245006 Angstroms
sigma value = 185


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

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Energy: 1.56911100461988
Energy: 2.461366217145196
Energy: 1.3403943395963644
Energy: 0.6602243418385804
Energy: 0.6605075627642046
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Energy: 0.7129977980706934
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Energy: 1.497800811334187
Energy: 1.1744944723322406
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Energy: 1.2040414683855487
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Energy: 1.5054044588158122
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Energy: 0.8466919507482903
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Energy: 1.5307490492433395
Energy: 1.1937248407424168
Energy: 0.8233492708170337
Energy: 1.1320524605426951
Energy: 1.5676924283032856
Energy: 1.5435648660560557
Energy: 0.7108228125884569
Energy: 0.710292691673118
Energy: 1.1280919267428247
Energy: 2.4044856363114273
Energy: 1.5174426876626919
Energy: 0.7141030266420315
Energy: 0.71367428349346
Energy: 1.227958162422875
Energy: 2.4296113033761166
Energy: 1.4961267729449073
Energy: 1.2087059196033842
Energy: 1.2473443210193562
Energy: 1.280405763250018
Energy: 1.4888944663882422
Energy: 0.9985517758721676
Energy: 1.183985350390032
Energy: 1.1442097491175918
Energy: 1.4935786380818523
Energy: 1.4936211189552582
Energy: 1.2908789876873132
Energy: 1.0305777944653223
Energy: 1.329602627432635
Energy: 2.446776696011679
Energy: 1.5086533686809094
Energy: 1.0025488758108871
Energy: 0.659834472735712
Energy: 1.0864973066724728
Energy: 1.3277514141558953
Energy: 1.498882115247613
Energy: 1.0307245101193703

minimum gb energy = 0.6038867965682246 eV
minimum distance =  2.63410828902663 Angstroms
sigma value = 33


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

Energy: 2.2342066159082528
Energy: 1.6674965099251928
Energy: 1.5855373153199703
Energy: 1.6168359780457062
Energy: 1.7346300045947616
Energy: 2.2060602953425663
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Energy: 1.7144831422231657
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Energy: 2.0128987036782413
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Energy: 1.4312986063104802
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Energy: 1.447551380795838
Energy: 1.7376940717027711
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Energy: 2.0693429453142405
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Energy: 2.1177235584314826
Energy: 1.5591435381048662
Energy: 1.958054014668571
Energy: 2.0543469877490006
Energy: 1.7716332878139722
Energy: 2.1167388132445435
Energy: 1.9309802537848515
Energy: 1.8238818237451122
Energy: 1.3632414445727146
Energy: 1.365671212542631
Energy: 1.8880365310660068
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Energy: 1.5459175350911263
Energy: 1.4211336278896294
Energy: 1.4325432488655374
Energy: 1.856506545580332

minimum gb energy = 1.2157645594333493 eV
minimum distance =  2.50643482293227 Angstroms
sigma value = 219


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

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Energy: 2.0344378820036346
Energy: 2.1073883312703643
Energy: 1.8583193242805254
Energy: 2.0065528787880367
Energy: 1.832220326324831

minimum gb energy = 1.4821719713021073 eV
minimum distance =  2.52087502523359 Angstroms
sigma value = 15


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

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Energy: 2.1580078337516904
Energy: 2.171236187274702
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Energy: 1.8400332528777883
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minimum gb energy = 1.6799576497175763 eV
minimum distance =  2.47064918291957 Angstroms
sigma value = 293


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

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Energy: 1.9633644941176907
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Energy: 2.045955317147742
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Energy: 2.3664451282747936
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Energy: 1.820739911736819
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Energy: 1.77330169719403
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Energy: 2.7333815880801056
Energy: 2.7610821099805385
Energy: 1.8939619379721884
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Energy: 2.763948980151089
Energy: 1.8928123148442055
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Energy: 2.3091614380423007
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Energy: 2.154601343566918
Energy: 2.0952840607030017
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Energy: 2.506310513399604
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Energy: 2.0224633486549775
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Energy: 2.090287983001554
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Energy: 2.0984328068472697
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Energy: 2.0856262399655954
Energy: 2.0468268279210315
Energy: 2.5763618403437745
Energy: 2.2383027961098843
Energy: 2.4756147862544644
Energy: 2.6312857049008316
Energy: 2.3754402831693757
Energy: 2.5389078490957564
Energy: 2.675821974564758
Energy: 2.4705301126053607
Energy: 2.443527343423675
Energy: 2.4547166796034374
Energy: 2.290234002019836
Energy: 1.9510990487170297
Energy: 2.0884715125451927
Energy: 2.0931079659344087
Energy: 2.3983664035791663
Energy: 2.226581047465182
Energy: 1.9092403482986233
Energy: 2.1247640219927746
Energy: 2.2360396823821964
Energy: 2.400370064965262
Energy: 1.8251483673404534
Energy: 1.7755076704235273
Energy: 2.213651531758336
Energy: 2.4466764993507324
Energy: 2.529521861882049
Energy: 1.8253163637132759
Energy: 1.7770456919935151
Energy: 2.156922488036887
Energy: 2.447074064921865
Energy: 2.335293582746566
Energy: 2.3040862935324764
Energy: 1.9997264077502959
Energy: 2.010611680042538
Energy: 2.7631451312868087
Energy: 2.7307056341708433
Energy: 2.3032425680467843
Energy: 1.9845309013843562
Energy: 2.0102606965587038
Energy: 2.759364482659292
Energy: 2.647392777774183
Energy: 1.7924619735966407
Energy: 1.677479584351468
Energy: 2.472153760722429
Energy: 2.4714061676062395
Energy: 2.2709840869558735
Energy: 1.676379954598702
Energy: 1.675200791705116
Energy: 2.473025646312792
Energy: 2.471518667972449
Energy: 2.2214122287831195
Energy: 2.3186878436706975
Energy: 2.171084528937731
Energy: 2.064386330315836
Energy: 2.2358227238799775
Energy: 2.2469361574412314
Energy: 2.3979228319597357
Energy: 2.1103666944023
Energy: 2.2290704329474944
Energy: 2.236671973486238
Energy: 2.2461920593051135
Energy: 2.3770629199216864
Energy: 2.1553963118802595
Energy: 2.1667486392095374
Energy: 2.1043559962171923
Energy: 2.154400606854211
Energy: 2.408117348115422
Energy: 2.388506279930326
Energy: 2.1583965567929777
Energy: 2.105070942528226
Energy: 2.0936480141190157

minimum gb energy = 1.6736553624247164 eV
minimum distance =  2.52425127093075 Angstroms
sigma value = 293


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

Energy: 1.477143021571018
Energy: 1.635868972381097
Energy: 1.6739045466846678
Energy: 1.9977694013148466
Energy: 1.4823392521869296
Energy: 1.4785471253844915
Energy: 1.6351471142435254
Energy: 1.6737778554192357
Energy: 1.997905653749393
Energy: 1.4819219245855095
Energy: 1.6827922729687177
Energy: 2.0594129417436053
Energy: 1.510222772814433
Energy: 1.9400411753809192
Energy: 1.9985371353192933
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Energy: 1.9997972484853344
Energy: 1.6341495465108375
Energy: 2.140650861027848
Energy: 1.9956542143505736
Energy: 1.5140194034901222
Energy: 1.513125656832485
Energy: 2.0859849041849787
Energy: 1.5184359953999333
Energy: 1.9934073839752018
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Energy: 1.6744987905829274
Energy: 2.0888171201554857
Energy: 1.6790610936908936
Energy: 1.4796756878720623
Energy: 1.4818895207789131
Energy: 1.521903069641584
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Energy: 1.5411023509152475
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Energy: 1.5150655851978492
Energy: 1.6812454224966888
Energy: 1.8842277764658582
Energy: 2.0851782350170422
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Energy: 1.4815779328571927
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Energy: 1.6355943699796724
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Energy: 1.4816351217134978
Energy: 1.512572125001839
Energy: 1.910526215154992
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Energy: 1.6825920288623035
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Energy: 1.9382365599341842
Energy: 1.9440280942859671
Energy: 1.4804542926701334
Energy: 1.8291957796831224
Energy: 2.085861113157711
Energy: 1.5135924561409895
Energy: 2.08415855399556
Energy: 1.8888780674732597
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Energy: 1.6362812535751434
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Energy: 1.6335293776257827
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Energy: 1.8927513375987532
Energy: 1.681331035510336
Energy: 1.4774751365693621
Energy: 1.6364002409528917
Energy: 1.6737776678397247
Energy: 1.9979158610261172
Energy: 1.482307840522096
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Energy: 1.6353993074529602
Energy: 1.6734487142237182
Energy: 1.9979043721276353
Energy: 1.4819201276764573
Energy: 1.682640178883702
Energy: 1.5162013321820074
Energy: 1.5093636569833278
Energy: 1.9382897757986683
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Energy: 1.6826627039827713
Energy: 1.5147613100962332
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Energy: 1.9956453813254333
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Energy: 1.6763153578763417
Energy: 2.089744981164138
Energy: 1.6791808163976492
Energy: 1.4797815502123537
Energy: 1.4817485106815553
Energy: 1.515372420785833
Energy: 1.8945016483662684
Energy: 1.677586541472802
Energy: 1.4790463431280252
Energy: 1.4820072118158063
Energy: 2.144785752871154
Energy: 2.0901548612699727
Energy: 1.99836802061736
Energy: 1.4816832027491549
Energy: 1.4791180710322551
Energy: 1.512607177361775
Energy: 1.5144581251011553
Energy: 1.9984221058108464
Energy: 1.4814457633501448
Energy: 1.479480196391583
Energy: 1.5125863352684865
Energy: 1.5143941116360644
Energy: 1.9980577225708638
Energy: 1.6772019966668987
Energy: 2.2809657134457684
Energy: 2.086809501730103
Energy: 1.5424410186377828
Energy: 1.9983323154745103
Energy: 1.6735130751306606
Energy: 1.996260400837771
Energy: 2.0852398465184585
Energy: 1.5418904992334594
Energy: 1.8923582006302917
Energy: 1.4897530648014847
Energy: 1.5149631826651564
Energy: 1.993298931073825
Energy: 1.681432531186955
Energy: 1.8927374896269267
Energy: 1.4893514479702714
Energy: 1.9971641490697674
Energy: 1.5163556235208602
Energy: 1.6812794277824292
Energy: 1.8847594003652894
Energy: 2.0851011217177744
Energy: 1.6355475232751604
Energy: 1.4794017673901334
Energy: 1.4816176555308136
Energy: 1.8848391866266108
Energy: 2.0839182116206656
Energy: 1.6354079878030925
Energy: 1.4786271279899428
Energy: 1.4818555890040799
Energy: 1.5117740107869273
Energy: 1.9105503122725054
Energy: 1.944641226691571
Energy: 1.4813155694525346
Energy: 1.682500216932512
Energy: 1.5120389756033665
Energy: 1.9383037573926882
Energy: 1.9446416075831616
Energy: 1.480903880511476
Energy: 1.8282057252840003
Energy: 2.086684610986482
Energy: 1.5126551537628024
Energy: 2.083872495776473
Energy: 1.8884185319943148
Energy: 1.9960322528304533
Energy: 1.5144161948039248
Energy: 1.5132851981959459
Energy: 2.0838111700341133
Energy: 1.8870615444561096
Energy: 1.9960397344706562
Energy: 1.4799598929722642
Energy: 1.6338500665733764
Energy: 1.6368626232737602
Energy: 1.8927611521118228
Energy: 1.681609608003289
Energy: 1.48073126648936
Energy: 1.6331259192310255
Energy: 1.9195796842815511
Energy: 1.892603312370022
Energy: 1.6822431925143249

minimum gb energy = 1.477143021571018 eV
minimum distance =  2.54453689935997 Angstroms
sigma value = 15


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

Energy: 2.8225637772397913
Energy: 2.472525529854457
Energy: 2.1014638014093965
Energy: 2.4822484246046113
Energy: 2.5492283743141395
Energy: 2.783576006262153
Energy: 2.4824393287561195
Energy: 2.116259518038593
Energy: 2.405874280854435
Energy: 2.719684733930779
Energy: 2.3992190620862144
Energy: 2.316892896909539
Energy: 1.7901713963923522
Energy: 1.7685737807540314
Energy: 2.311036521126262
Energy: 2.1221340578963956
Energy: 2.300944661543886
Energy: 1.77441024800272
Energy: 1.9282851363331335
Energy: 2.192016859284092
Energy: 2.10769103415236
Energy: 2.316786485962619
Energy: 2.0005305945671616
Energy: 2.024227926811182
Energy: 1.8437007016888005
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Energy: 2.3210240137701255
Energy: 2.0246126923892978
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Energy: 1.8296066933231276
Energy: 1.9859265847047973
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Energy: 2.346161042310287
Energy: 2.0274601281129976
Energy: 1.8511400860141234
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Energy: 2.315796863129013
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Energy: 2.2613743295808995
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Energy: 1.7187658370004844
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Energy: 2.1578085156508036
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Energy: 1.7101515341675768
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Energy: 2.180105787501447
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Energy: 1.8620363186209978
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Energy: 2.0939924099166074
Energy: 1.836514893571482
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Energy: 2.0178404483396144
Energy: 2.476191259921954
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Energy: 1.7615502046986613
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Energy: 1.7670214429248448
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Energy: 2.287361079728938
Energy: 1.894270383914716
Energy: 2.4620565827280663
Energy: 2.160827641493434
Energy: 1.8713446332784236
Energy: 2.451678561337754
Energy: 1.8952203253264719
Energy: 2.0563367059667494
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Energy: 1.8765229964309862
Energy: 2.374408272389315
Energy: 2.060634070715509
Energy: 2.3682260662780874
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Energy: 2.6160962082043415
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Energy: 1.7727726527383645
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Energy: 2.3175325271071774
Energy: 2.17589848981759
Energy: 2.3417440988250515
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Energy: 1.7721267604961755
Energy: 2.1602149364629524
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Energy: 2.305674745128743
Energy: 2.2657244265984233
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Energy: 2.07865118297916
Energy: 2.2926103939541562
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Energy: 2.300699156935625
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Energy: 1.86380301915847
Energy: 2.369779356220634
Energy: 2.4311093677164592
Energy: 2.2925503817215263
Energy: 1.9133203554104674
Energy: 1.8857964695887737
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Energy: 2.092883011584941
Energy: 2.4263108941879334
Energy: 2.489082814991811
Energy: 2.4769152712971745
Energy: 2.5704834231486964
Energy: 2.498900520237378
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Energy: 2.4707008679273237
Energy: 2.385673710786376
Energy: 1.753691974571804
Energy: 1.7687936713360382
Energy: 2.253822016702195
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Energy: 1.7665291931088996
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Energy: 1.952362238154232
Energy: 1.8364053316338695
Energy: 1.7420008087160277
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Energy: 2.5363451727371755
Energy: 1.893483074651216
Energy: 1.7915857968341642
Energy: 1.7363699282885412
Energy: 2.344171097776656
Energy: 2.288010780624187
Energy: 2.303922574688513
Energy: 2.1088862331276963
Energy: 2.5918940259913508
Energy: 2.4603145835973916
Energy: 2.346819673469398
Energy: 2.173265463296829
Energy: 2.1529582904287814
Energy: 2.6546145412609983
Energy: 1.801384689761334
Energy: 1.942130558299251
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Energy: 2.1534776351968556
Energy: 2.2277706696772306
Energy: 1.7873532087390511
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Energy: 2.1548601642913883
Energy: 2.1534058534385694
Energy: 2.160221936780865
Energy: 1.8548795511734484
Energy: 1.8114448351933357
Energy: 2.276103920898445
Energy: 2.3875340378911627
Energy: 2.065413291620359
Energy: 1.8494398394122307
Energy: 1.8220619366591302
Energy: 2.2621200017078995
Energy: 2.4252030521970993
Energy: 2.076489849541699
Energy: 2.055871750286241
Energy: 1.9573005226286235
Energy: 1.8959504788016917
Energy: 1.9011421448371997
Energy: 2.465071514620521
Energy: 1.9284041705506627
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Energy: 1.897729831644805
Energy: 2.404494909195353
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Energy: 2.7023335455349264
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Energy: 2.4749027921159055
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Energy: 2.5216323751964866
Energy: 2.702803470929446
Energy: 2.4360911065795516
Energy: 2.4733024086695337
Energy: 2.3792801647743804
Energy: 2.6455727560430637
Energy: 2.333919487872671
Energy: 2.259295096977369
Energy: 1.7947377837431258
Energy: 1.8779849044230434
Energy: 2.3491686609725315
Energy: 2.3601952746531953
Energy: 2.188475937765285
Energy: 1.7784031550419608
Energy: 1.9150744561071422
Energy: 2.408025913788378
Energy: 2.174914211766978
Energy: 2.287443645250429
Energy: 2.0294353128758438
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Energy: 1.8944985487879447
Energy: 2.2494774972541856
Energy: 2.2803357844370584
Energy: 1.9954670920216941
Energy: 2.1448215226946
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Energy: 2.042533736280335
Energy: 2.4319877790391278
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Energy: 2.0611703462870627
Energy: 1.8892315141199345
Energy: 2.0577681914158936
Energy: 2.366502734160137
Energy: 2.273849961900309
Energy: 2.0581025530273513
Energy: 1.8821530335020018
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Energy: 2.3513532511026374
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Energy: 2.451554287489125
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Energy: 2.2954902990229953
Energy: 2.306861097878022
Energy: 2.2858673359240598
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Energy: 2.480434105613355
Energy: 2.1660276851800515
Energy: 2.3911580686849176
Energy: 1.7882126424595426
Energy: 2.276880611499071
Energy: 2.441808627146164
Energy: 2.165127084210123
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Energy: 1.711896479443952
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Energy: 2.1306644079234194
Energy: 2.3877839947100448
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Energy: 2.4979591806894907
Energy: 1.8812921993500429
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Energy: 1.8031853592164342
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Energy: 2.239556146630026
Energy: 2.560595837839026
Energy: 2.682743511699339
Energy: 2.6888269072429094
Energy: 2.515405861554758
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Energy: 2.757991802819051
Energy: 2.3239890450749985
Energy: 2.514232702587417
Energy: 2.4393848599249632
Energy: 2.622973974884524
Energy: 2.1525230505786563
Energy: 2.212680402604156
Energy: 1.7457548380872687
Energy: 2.006164287711856
Energy: 2.6924840383937765
Energy: 2.1525357579718327
Energy: 1.8736528778895758
Energy: 1.7686174579639402
Energy: 2.029488348178153
Energy: 2.4722311688950507
Energy: 2.424008578778408
Energy: 2.0637663604466208
Energy: 1.7554829837883001
Energy: 2.0144484150559
Energy: 2.3817536053507853
Energy: 2.420139266144728
Energy: 2.0495159285370215
Energy: 1.7449460560272123
Energy: 1.9933726675278527
Energy: 1.8931814052591072
Energy: 2.453823415734426
Energy: 2.155872488707383
Energy: 1.767337123081905
Energy: 2.411617145276053
Energy: 1.8954865186195557
Energy: 2.4554076524784643
Energy: 2.121539902405156
Energy: 1.7739563866448382
Energy: 2.4190996023457596
Energy: 2.2531259276187736
Energy: 2.4058876917307677
Energy: 2.724729197336323
Energy: 2.617213517921027
Energy: 2.489043766597813
Energy: 2.3050900079709993
Energy: 2.4411322932260218
Energy: 2.762030087102746
Energy: 2.626046645936201
Energy: 2.498356701097189
Energy: 1.7683150288335887
Energy: 2.0247764499334693
Energy: 2.2947363846170727
Energy: 2.473428712215538
Energy: 1.9267901018731992
Energy: 1.769099240114463
Energy: 2.160082216977309
Energy: 2.519108531676281
Energy: 2.295426304084126
Energy: 1.8486622881050427
Energy: 1.8758297503890768
Energy: 2.2217252344528178
Energy: 2.0669101768229043
Energy: 2.2972431858376297
Energy: 2.236563398388011
Energy: 1.8063582717045348
Energy: 2.085505153693323
Energy: 2.047878439742129
Energy: 2.2830001187041753
Energy: 2.0136722724857297
Energy: 2.4001136642071157
Energy: 2.0069116115551084
Energy: 1.8599957061385828
Energy: 2.365514907791116
Energy: 2.160232091761519
Energy: 2.2712106381955404
Energy: 1.9987172618886384
Energy: 2.0048385510672473
Energy: 2.294991206209625
Energy: 2.2001771901996343
Energy: 2.8591496152844016
Energy: 2.377212075734275
Energy: 2.3257349645700476
Energy: 2.6004162135654494
Energy: 2.4918493482265194
Energy: 2.866030188365751
Energy: 2.391105000405584
Energy: 2.3642182335016915
Energy: 2.5861281633456854
Energy: 2.491473866304687
Energy: 2.254649439720677
Energy: 2.2832759810547993
Energy: 2.1643803998483997
Energy: 2.159878363948953
Energy: 2.0345491414738395
Energy: 2.49716472845519
Energy: 2.248117349210184
Energy: 2.1379576030600655
Energy: 1.959825363770815
Energy: 2.0930786114959647
Energy: 2.1558513093106644
Energy: 2.414526526450118
Energy: 2.4382299214460432
Energy: 1.7540073316855143
Energy: 1.7704747703568104
Energy: 2.1988297861362835
Energy: 2.4227504839112997
Energy: 2.3076497927732746
Energy: 1.7442144226965868
Energy: 1.7701099356513237
Energy: 2.327833141735143
Energy: 2.5560923490980647
Energy: 2.153107629315286
Energy: 1.8201973187542948
Energy: 1.7374022104251245
Energy: 2.3991561466025457
Energy: 2.580585112539502
Energy: 1.9149863206726558
Energy: 1.7728796968419154
Energy: 1.7426250916676727
Energy: 2.544738616748449
Energy: 2.4960157680042507
Energy: 1.9655760277179164
Energy: 2.0993377123110206
Energy: 2.59080689188044
Energy: 2.521840747654081
Energy: 2.525806654414644
Energy: 2.071967853329003
Energy: 2.378286722899168
Energy: 2.526585540881777
Energy: 1.7587945872957957
Energy: 1.856121565385696
Energy: 2.1136935889810076
Energy: 2.1597197430623343
Energy: 2.5339620871790367
Energy: 1.7523113132736583
Energy: 1.972475714309857
Energy: 2.191153545552303
Energy: 2.154463902886285
Energy: 2.3121108358680647
Energy: 1.790420748978437
Energy: 1.7661888330187774
Energy: 2.285168124443969
Energy: 2.4599178338103616
Energy: 2.0768777039909105
Energy: 1.7929807284699493
Energy: 1.7788236405519904
Energy: 2.3440599043725103
Energy: 2.472228213422546
Energy: 2.083980423151849
Energy: 1.8854155442332774
Energy: 1.7493119156863535
Energy: 1.8962695241775782
Energy: 1.900861233780843
Energy: 2.1872644043458704
Energy: 1.923212046175398
Energy: 1.7315368163980605
Energy: 1.896130176497628
Energy: 2.3382816683582583
Energy: 2.179650729758105
Energy: 2.832122888183386
Energy: 2.4011931294113036
Energy: 2.4064126964147654
Energy: 2.273090091056728
Energy: 2.3803413899512518
Energy: 2.7931731747858857
Energy: 2.4403215335031425
Energy: 2.464533324486443
Energy: 2.3677879414370704
Energy: 2.3943139807098186

minimum gb energy = 1.7101515341675768 eV
minimum distance =  2.45483265377836 Angstroms
sigma value = 437


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

Energy: 2.1151537325617236
Energy: 2.6635385372950195
Energy: 2.4800529181432447
Energy: 2.471788024452619
Energy: 2.5168110567877564
Energy: 2.11438510046653
Energy: 2.68846485112235
Energy: 2.487823613396098
Energy: 2.4301784170625793
Energy: 2.687937355924201
Energy: 2.1506767261447663
Energy: 2.337241337785733
Energy: 2.0222331158386013
Energy: 2.032077636671164
Energy: 2.420658683164704
Energy: 2.158312063421263
Energy: 2.202940802334333
Energy: 1.8887922507757842
Energy: 2.2020427100777438
Energy: 2.046543259691846
Energy: 1.9609848594597916
Energy: 1.9835605364583524
Energy: 2.317129621294011
Energy: 2.202656642685509
Energy: 1.773703505796634
Energy: 1.957541507629991
Energy: 1.986115988056456
Energy: 2.311950253450063
Energy: 2.203925386142152
Energy: 1.7904195381686188
Energy: 1.8993529936990197
Energy: 2.1611238798070582
Energy: 2.5567382618921224
Energy: 1.9853457809223485
Energy: 1.7806200200165392
Energy: 1.9260770294251721
Energy: 2.236238771525875
Energy: 2.554370681695161
Energy: 1.8171404637557957
Energy: 1.7787195649036371
Energy: 2.302439510362363
Energy: 2.5567389515506034
Energy: 2.448875095150048
Energy: 2.2555962605381454
Energy: 2.34400455793559
Energy: 2.2545556972193337
Energy: 2.5913259663852637
Energy: 2.4524697294372926
Energy: 2.2464897401817194
Energy: 2.4726624043386227
Energy: 2.3828609094167845
Energy: 2.0338471906635025
Energy: 2.026931632072303
Energy: 1.9140529062145673
Energy: 2.118381152657062
Energy: 2.049403380927022
Energy: 2.0326900157641274
Energy: 2.0285216657891234
Energy: 1.9128509645878957
Energy: 2.118146220099619
Energy: 2.1012059933846934
Energy: 1.9307433451117022
Energy: 1.7808119385874652
Energy: 2.4365968679878716
Energy: 2.3187112489898776
Energy: 2.098357819729022
Energy: 1.8794516200399938
Energy: 1.866048840669616
Energy: 2.436812661789725
Energy: 2.3249782765030584
Energy: 2.0362883968368277
Energy: 1.994225268902954
Energy: 2.0621126538177843
Energy: 2.0034086687499078
Energy: 2.226048244033564
Energy: 2.0352145801188746
Energy: 1.977375900876237
Energy: 1.8739205566700778
Energy: 2.001147236669396
Energy: 2.2295794857951714
Energy: 1.9395952730497246
Energy: 2.432892393316111
Energy: 2.3847398678902123
Energy: 2.380608555473553
Energy: 2.2051375345085376
Energy: 2.026845718066028
Energy: 2.4344682434075877
Energy: 2.382118906886273
Energy: 2.3249691880860097
Energy: 2.207755500702353
Energy: 2.428631032760391
Energy: 2.4370257572481693
Energy: 2.4607711575553366
Energy: 2.3331961595298027
Energy: 2.337092449817476
Energy: 2.645017969734055
Energy: 2.436793637140979
Energy: 2.283167711138255
Energy: 2.119181034766921
Energy: 2.3387188166088833
Energy: 1.7092189118095817
Energy: 1.848863404669558
Energy: 2.0408939982005
Energy: 2.1264608625173507
Energy: 2.3645578847558055
Energy: 1.705024969123848
Energy: 1.8499410182856357
Energy: 2.0406662661395973
Energy: 2.1238922905940125
Energy: 2.2221073253104415
Energy: 1.7394952385655078
Energy: 1.7516566888006861
Energy: 2.233295322813117
Energy: 2.5448380436586318
Energy: 2.165592861054469
Energy: 1.7278223487766837
Energy: 1.7346521005774609
Energy: 2.1601813547856596
Energy: 2.5490234390694093
Energy: 1.8469900314372485
Energy: 1.8699244050215438
Energy: 1.7486354319585893
Energy: 1.993290232202042
Energy: 2.1403474791538506
Energy: 1.9597246681661376
Energy: 1.8686165023154688
Energy: 1.8735710549835143
Energy: 1.9963806787943756
Energy: 2.1571200374550625
Energy: 1.9513509795200419
Energy: 2.739933353404653
Energy: 2.5565075153984305
Energy: 2.5773555447595253
Energy: 2.3649617676155903
Energy: 2.6010281947024714
Energy: 2.740246639656308
Energy: 2.402873574904917
Energy: 2.563524432567956
Energy: 2.5080444649570177
Energy: 2.276568836033687

minimum gb energy = 1.705024969123848 eV
minimum distance =  2.44392304721147 Angstroms
sigma value = 33