Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.146558970212937
cohesive_energy=6.810535640519527
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9374481164308399e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-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: 0.019613164343318456
Energy: 0.02092980591533639
Energy: 28.351103578852914
Energy: 40.652028388941474
Energy: 28.388912109278554
Energy: 28.539728089120697
Energy: 28.117387435611484
Energy: 27.883687351151217
Energy: 0.2825276815280691
Energy: 0.021446555241462373
Energy: 0.020679569568752092
Energy: 28.18222545036187
Energy: 15.780304007949788
Energy: 0.020321551180308026
Energy: 0.020845059834696627
Energy: 28.156893664210997
Energy: 28.06187330789115
Energy: 28.317193483186227
Energy: 28.583410136374816
Energy: 28.047091224833487
Energy: 40.531549980830135
Energy: 28.51586637013528
Energy: 28.00130792071771
Energy: 0.02076569363162153
Energy: 27.99302475597243
Energy: 15.043621593136596
Energy: 0.020499284688146536
Energy: 0.02032573080011135
Energy: 28.20191536535413
Energy: 28.09813737494439
Energy: 0.02048296569474675
Energy: 28.197517162899352
Energy: 28.475338249150393
Energy: 40.54752062425115
Energy: 28.01153887962287
Energy: 28.363284994070295
Energy: 0.020952258315544953
Energy: 0.020312717915932435
Energy: 15.315300872376643
Energy: 0.020487010013486347
Energy: 0.020446694288963386
Energy: 15.609260572194058
Energy: 16.07775702194503
Energy: 0.020222863799500244
Energy: 0.020221703575570765
Energy: 28.40715353398297
Energy: 40.577805136178874
Energy: 40.560545578636095
Energy: 28.824882400614435
Energy: 0.019863742854025576
Energy: 40.54207250147627
Energy: 28.397091400303598
Energy: 27.964876564549993
Energy: 0.020401371086138174
Energy: 0.020224162286189933
Energy: 15.239067102094706
Energy: 0.020139939284748037
Energy: 0.021193041718276493
Energy: 28.49064786834911
Energy: 28.423378939937994
Energy: 0.0210530182708858
Energy: 28.411213421142786
Energy: 28.78759739462442
Energy: 40.54271175489946
Energy: 28.2026502714711
Energy: 28.094194353353704
Energy: 0.02045940802367066
Energy: 0.020537350939461987
Energy: 14.983684173689488
Energy: 28.060837114021286

minimum gb energy = 0.019613164343318456 eV
minimum distance =  1.7273929168855 Angstroms
sigma value = 3


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

Energy: 3.279057855729652
Energy: 1.9914507154259478
Energy: 1.9956717224490954
Energy: 2.0532640928207146
Energy: 2.06550643508569
Energy: 2.0090957579446833
Energy: 2.0168976603848607
Energy: 2.1536720103763116
Energy: 1.9952151162812373
Energy: 1.979737007307768
Energy: 2.1813091657571513
Energy: 2.0505621837044576
Energy: 2.129733043254251
Energy: 2.4696032579508413
Energy: 1.974371892562198
Energy: 2.0709978149552746
Energy: 2.126324057441901
Energy: 2.1277841786802925
Energy: 1.9998287106176011
Energy: 2.0573889206885614
Energy: 2.1228798515575806
Energy: 1.9466502559170022
Energy: 1.9405117586522038
Energy: 2.0710184469407613
Energy: 2.05483835999019
Energy: 2.1404693122161715
Energy: 2.469273256424775
Energy: 1.9453113715556476
Energy: 2.028862518864129
Energy: 2.2424767913650987
Energy: 2.2638979710630234
Energy: 2.0155190983001154
Energy: 2.0291488618282094
Energy: 2.0574903555928845
Energy: 1.9080764280998572
Energy: 1.967984437737405
Energy: 2.025096112010319
Energy: 2.02372320872943
Energy: 2.024609325043985
Energy: 2.0038803366244284
Energy: 2.2978250057140635
Energy: 1.9965311759178295
Energy: 2.3470665469909786
Energy: 2.333639180255705
Energy: 1.9954470213384474
Energy: 2.0393949638036557
Energy: 2.1294805971884863
Energy: 1.9815798098879924
Energy: 2.052036014703372
Energy: 1.9389421096277066
Energy: 2.059649101078814
Energy: 2.175513546286286
Energy: 1.9487106825344256
Energy: 1.9955262604573911
Energy: 2.113548634969613
Energy: 1.9652233816667184
Energy: 2.148731880935815
Energy: 1.9384428081513845
Energy: 1.944085237867819
Energy: 1.9494492765251261
Energy: 1.904778845598898
Energy: 1.9128198706343067
Energy: 1.907194028161134
Energy: 1.911601268033151
Energy: 2.0312430460486857
Energy: 1.946939371975319
Energy: 1.9381626008468564
Energy: 2.1499792402563176
Energy: 1.9437813347083055
Energy: 2.0415589346939433
Energy: 2.0480309152025384
Energy: 1.902215215956523
Energy: 2.0210077510408597
Energy: 2.0116073794319864
Energy: 1.8947763993474753
Energy: 1.8963814374307688
Energy: 1.9000083353862929
Energy: 2.09521950449832
Energy: 2.212020311624824
Energy: 1.9077223488952761
Energy: 1.907457975107337
Energy: 2.11011338817734
Energy: 1.895810658443596
Energy: 1.8941869300147203
Energy: 1.9047680881525246
Energy: 1.977488962781654
Energy: 1.982410061075492
Energy: 1.9765764597679922
Energy: 2.0903620114567634
Energy: 1.9112672925926557
Energy: 1.9574591259831364
Energy: 2.0455311650238635
Energy: 1.9367570953119548
Energy: 1.9363247199029008
Energy: 2.109778221355583
Energy: 1.9950752663618379
Energy: 1.9105833695173946
Energy: 1.9096845029080138
Energy: 1.9065009990617736
Energy: 2.0969086129566152
Energy: 1.9309636082122341
Energy: 1.926645305909051
Energy: 2.125538403372313
Energy: 1.9272710466538419
Energy: 2.292292195334188
Energy: 1.952797301931207
Energy: 1.9074182784825475
Energy: 2.004932854216661
Energy: 2.095217091618689
Energy: 1.9488139226301004
Energy: 1.9342273648302923
Energy: 1.953978584076815
Energy: 2.0974717916090464
Energy: 1.9944877570042132
Energy: 1.9941282920646521
Energy: 2.2788725607658153
Energy: 2.0012347191966806
Energy: 2.031566140438464
Energy: 2.0772891986946673
Energy: 1.9491665315210904
Energy: 2.0133093141638168
Energy: 2.076204853130784
Energy: 2.13016492975577
Energy: 2.0107824478097442
Energy: 1.9561817485332271
Energy: 2.0957123521460512
Energy: 2.0468967266794036
Energy: 2.0159742290545375
Energy: 1.9728539230541702
Energy: 2.0545415987940334
Energy: 2.0033255045189424
Energy: 2.0387049178658905
Energy: 1.9920025120730465
Energy: 1.95571293256794
Energy: 2.145902363858414
Energy: 2.0600893045469
Energy: 2.112567494836222
Energy: 1.928015023216034
Energy: 1.9479119550638078
Energy: 2.1010615325890707
Energy: 2.0101440282340275
Energy: 2.009708634275631
Energy: 2.0493806238279486
Energy: 2.113996601980662
Energy: 2.1395599762114146
Energy: 2.0120841745035825
Energy: 2.017856824331231
Energy: 2.0480913663478626
Energy: 1.9484406954600926
Energy: 2.0079884538856536
Energy: 2.010842299510495
Energy: 2.1219618879811413
Energy: 2.0273897935436263
Energy: 1.9971616952227693
Energy: 2.1087089906341876
Energy: 2.0738269795119604
Energy: 2.0464232583654844
Energy: 1.9556909628363326
Energy: 2.4680020477964777
Energy: 1.9850413605299033
Energy: 2.2192658797989866
Energy: 2.4685259452692394
Energy: 1.9458622528775738
Energy: 2.0273294395965484
Energy: 2.164772409995596
Energy: 2.0496502594816226
Energy: 1.9441450276391086
Energy: 2.009774290428523
Energy: 2.070948928954261
Energy: 1.9665495941366078
Energy: 1.9382447133656895
Energy: 1.9435312394129094
Energy: 2.2251183463790776
Energy: 2.009294942300357
Energy: 2.2058176804202265
Energy: 2.0043601122324755
Energy: 1.9407703157180365
Energy: 2.009227954288205
Energy: 2.245528473702602
Energy: 1.9368102600522485
Energy: 2.0280729835754463
Energy: 2.1383819774944484
Energy: 2.1185857502202645
Energy: 2.0500743897999567
Energy: 1.9413432180856973
Energy: 2.368231350704992
Energy: 2.194262058188677
Energy: 2.3435738824676253
Energy: 2.320036344349615
Energy: 1.9883455910886358
Energy: 1.9976826809410746
Energy: 2.1985500951798533
Energy: 1.9395580094120652
Energy: 1.9457658049155817
Energy: 1.9482607627015402
Energy: 2.0811742590183755
Energy: 2.0561768070356994
Energy: 1.99765471403696
Energy: 1.9423886653906075
Energy: 1.9889181794345594
Energy: 1.9435735036342354
Energy: 1.9394206874788669
Energy: 1.9417002209439633
Energy: 1.939692953660577
Energy: 2.040603036736941
Energy: 1.8989908892209733
Energy: 1.9695317092466045
Energy: 1.8999474008947235
Energy: 1.904365017299854
Energy: 2.1175752324017205
Energy: 1.9011946987314046
Energy: 1.906227946211028
Energy: 2.10923052512801
Energy: 2.2150115728878426
Energy: 1.9035283378350774
Energy: 1.896782218001948
Energy: 1.9073334379874423
Energy: 2.01761409779745
Energy: 2.011964943705237
Energy: 2.012885226248911
Energy: 1.9017540956472638
Energy: 2.0155234409060623
Energy: 2.0846898064976873
Energy: 2.054687652355217
Energy: 1.917076744568421
Energy: 2.1535436334405786
Energy: 2.1673015505675073
Energy: 1.900958645934256
Energy: 1.9631020324889883
Energy: 1.9064224071017495
Energy: 2.035308327438901
Energy: 2.004185331394411
Energy: 1.9093551482616464
Energy: 1.9069128497711143
Energy: 2.035537277831237
Energy: 1.9560948509983644
Energy: 2.1666432452928577
Energy: 1.927890618878462
Energy: 1.9270985266986909
Energy: 2.0932148773741095
Energy: 2.0291116632242745
Energy: 1.9048775935055977
Energy: 2.011388776198913
Energy: 2.0790704897397037
Energy: 2.0510261885969827
Energy: 1.9393839952769734
Energy: 1.934253408585908
Energy: 2.141001473713002
Energy: 1.9343655129504114
Energy: 2.1262165913478475
Energy: 2.2715030811061725
Energy: 1.9962370473971802
Energy: 2.0015156848385396
Energy: 2.029095192992159
Energy: 1.934361987518804
Energy: 2.0326818562420326
Energy: 2.0000823213977923
Energy: 2.07052559357981
Energy: 2.0481793267896498
Energy: 1.9956706476095059
Energy: 2.1163503061770332
Energy: 2.129257389454278
Energy: 2.127648913871442
Energy: 1.9717546209122687
Energy: 1.994234447695046
Energy: 2.0297394011656533
Energy: 2.0635992389593447
Energy: 2.0798670544810447
Energy: 2.0126547385608373
Energy: 1.9574766488450337
Energy: 2.1542619114478176
Energy: 2.058300453897652
Energy: 2.0163556933416023
Energy: 1.9881827306933102
Energy: 2.047831115276057
Energy: 2.173867058168113
Energy: 2.038193123649357
Energy: 1.9938400709043402
Energy: 2.0305565339397367
Energy: 2.003236399800178
Energy: 2.435093834065861
Energy: 2.0024964029277927
Energy: 1.9993130688442227
Energy: 1.9916476693779261
Energy: 2.1817808219416595
Energy: 2.026553836793781
Energy: 2.013306401436636
Energy: 2.2647276971436243
Energy: 2.014562004480563
Energy: 1.9983316196680234

minimum gb energy = 1.8941869300147203 eV
minimum distance =  2.45394970930988 Angstroms
sigma value = 75


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

Energy: 3.489328629041653
Energy: 2.081653681461778
Energy: 2.0814554559792127
Energy: 2.10583124739888
Energy: 2.114818037527013
Energy: 2.068501015984648
Energy: 2.0361416264098624
Energy: 2.0980787855597782
Energy: 2.0737813058313166
Energy: 2.0909150457051635
Energy: 2.1169807569620143
Energy: 2.1022575805229913
Energy: 2.0690663339098645
Energy: 2.0266862846683096
Energy: 2.193814649641742
Energy: 2.0624766821300096
Energy: 2.0780657327320897
Energy: 2.056597032308492
Energy: 2.0455624168123845
Energy: 2.0647742927308483
Energy: 2.1929386120561527
Energy: 2.0538010865278196
Energy: 2.0642135526028715
Energy: 2.100045176462624
Energy: 2.0421946447298116
Energy: 2.172989669802496
Energy: 2.3403907674999322
Energy: 2.052790715644883
Energy: 2.257706048955749
Energy: 2.157629803323467
Energy: 2.1344606716944363
Energy: 2.0677859685788693
Energy: 2.2487501167241266
Energy: 2.1588879228840816
Energy: 2.06062832279871
Energy: 2.044762625430184
Energy: 2.0502624610881193
Energy: 2.1550816274131086
Energy: 2.1628209788099837
Energy: 2.2221701920507764
Energy: 2.1527837695909984
Energy: 2.2409097620088896
Energy: 2.0528380198399154
Energy: 2.114349760725813
Energy: 2.042078538526176
Energy: 2.0605749979757206
Energy: 2.077288824343402
Energy: 2.0583729756218823
Energy: 2.097380131628343
Energy: 2.0611483391959067
Energy: 1.97278004474084
Energy: 2.0823371401440123
Energy: 2.029967225342087
Energy: 2.0339430895075044
Energy: 2.0515463597247163
Energy: 2.0571325007068326
Energy: 2.0820310270576106
Energy: 2.002261879093389
Energy: 2.094967002588243
Energy: 1.9756376145518117
Energy: 2.0789946091328226
Energy: 2.0826338822535595
Energy: 2.06124505252344
Energy: 2.0565792447501137
Energy: 1.985007634371528
Energy: 1.9939513500307686
Energy: 1.9781678281475634
Energy: 2.089822008809368
Energy: 2.0653315974884525
Energy: 2.0716308198131306
Energy: 2.0838089943862577
Energy: 2.0527456870782834
Energy: 2.1180034430793575
Energy: 2.1834045709222814
Energy: 2.1951918377953006
Energy: 2.162280716226358
Energy: 2.0944414163356475
Energy: 2.007616670797853
Energy: 2.046717793889356
Energy: 2.0573317848526353
Energy: 2.0812340903749615
Energy: 2.091467840234814
Energy: 2.1547949809033065
Energy: 2.0990779822913797
Energy: 2.109981757011789
Energy: 2.216861222281252
Energy: 2.248793221830666
Energy: 2.2475841693673826
Energy: 2.1085627373914697
Energy: 2.0501592114313194
Energy: 2.0925799578634456
Energy: 2.0213710470112463
Energy: 2.2457858787194684
Energy: 2.0895583746501334
Energy: 2.0730019150201353
Energy: 2.1812610512937916
Energy: 2.368774841698685
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Energy: 2.1086376730160596
Energy: 2.198252416795662
Energy: 2.0281994801415077
Energy: 2.026593407765975
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Energy: 2.5302784484826266
Energy: 2.067410645995733
Energy: 2.094903569418101
Energy: 2.0721118990317513
Energy: 2.052839012563629
Energy: 2.174074548414221
Energy: 2.1366602083365684
Energy: 2.096258948048023
Energy: 2.228415025993472
Energy: 2.123305855334194
Energy: 2.0768045656831573
Energy: 2.068240191478304
Energy: 2.221400468729302
Energy: 2.1348424868989997
Energy: 2.218538095188109
Energy: 2.09095396818652
Energy: 2.0311870361122417
Energy: 2.175240500416412
Energy: 2.160022287673494
Energy: 2.080740774217378
Energy: 2.08479901469636
Energy: 2.0954421129550402
Energy: 2.177312033093569
Energy: 2.0403184998998105
Energy: 2.097059732206388
Energy: 1.959461297323246
Energy: 2.6982565795982336
Energy: 2.0917338250933946
Energy: 2.1009562903886114
Energy: 2.2791443974707497
Energy: 2.277997440838934
Energy: 2.1669579199380924
Energy: 2.0813002327530454
Energy: 2.05568942026031
Energy: 2.025963151186271
Energy: 2.0319882733645604
Energy: 2.0600325516036695
Energy: 2.078651222461223
Energy: 1.976624016050722
Energy: 2.0656525302855235
Energy: 2.042401143993242
Energy: 2.0363338152465498
Energy: 2.04705652113312
Energy: 2.0440825834776137
Energy: 2.059958894667404
Energy: 2.0635540168154844
Energy: 2.0476307790721253
Energy: 2.0947625351561467
Energy: 2.014536217227644
Energy: 2.069497120904624
Energy: 2.061563973219765
Energy: 2.030760864645922
Energy: 2.113661233891202
Energy: 2.0388204770447222
Energy: 1.9889705079009936
Energy: 2.091615250002501
Energy: 1.9753770130100312
Energy: 2.043453044171216
Energy: 2.0931412921335437
Energy: 2.090469667072052
Energy: 2.0531410293574055
Energy: 2.0519436566403906
Energy: 2.0306087456314583
Energy: 1.9735098948847363
Energy: 1.9773667455151336
Energy: 2.054529668375321
Energy: 2.0354318867398176
Energy: 2.0748688549609247
Energy: 2.0510114892067057
Energy: 2.0797230194288896
Energy: 2.059399196617165
Energy: 2.134050038781153
Energy: 2.1831782543821445
Energy: 2.222911655308498
Energy: 2.055342506696969
Energy: 2.1245303087875107
Energy: 2.056464136531149
Energy: 2.1095634447993383
Energy: 2.0286509915034774
Energy: 2.1072360484822177
Energy: 2.088537266231288
Energy: 2.2255653768283787
Energy: 2.126180560908077
Energy: 2.073993981490024
Energy: 2.2218149772905513
Energy: 2.5743612228728194
Energy: 2.2629220934184873
Energy: 2.129080579972322
Energy: 2.2409702168542704
Energy: 2.1302453257471257
Energy: 2.1859852010309586
Energy: 2.0889058852942832
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minimum gb energy = 1.959461297323246 eV
minimum distance =  2.4452736407971 Angstroms
sigma value = 105


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

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Energy: 2.3115906811979663
Energy: 2.0502175705744468
Energy: 2.017184416457423
Energy: 2.0472977995133483
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Energy: 2.0347066257437407
Energy: 2.250076866430763
Energy: 2.234638252825977
Energy: 2.0552386078127984
Energy: 2.079730285629868
Energy: 1.9892987045509574
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Energy: 2.2562863557784487
Energy: 2.167696652032397
Energy: 2.2222358586151074
Energy: 2.2069922028551354
Energy: 2.2375125116690997
Energy: 2.197524290735781
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Energy: 2.0217047673941986
Energy: 2.0079774126739744
Energy: 1.9560156783784606
Energy: 1.9559463280086038
Energy: 1.9798615357452607
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Energy: 1.997331933175927
Energy: 2.208410147305104
Energy: 1.9674582974654675
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Energy: 1.9937673652099834
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Energy: 1.9982556434281278
Energy: 2.0272055235456667
Energy: 2.1983179411879274
Energy: 1.9837600600507963
Energy: 1.983326573343979
Energy: 2.122698845176917
Energy: 2.000572525454869
Energy: 2.1456286531178272
Energy: 1.9689230625161274
Energy: 1.9850037098123816
Energy: 2.008856946049315
Energy: 1.9606726910522636
Energy: 2.086562722321743
Energy: 2.001468684077848
Energy: 2.161068736867049
Energy: 1.9868795699426418
Energy: 2.1488740208906516
Energy: 2.262140764692978
Energy: 2.248965038068814
Energy: 1.9963359001597534
Energy: 1.9943767378502193
Energy: 2.02889762711432
Energy: 2.0582343916348322
Energy: 2.1553356356995303
Energy: 2.112386914948498
Energy: 2.190168095943089
Energy: 2.0294322885599665
Energy: 2.36223968664302
Energy: 2.185943864631067
Energy: 2.2431943095066362
Energy: 2.248384676496168
Energy: 1.9939956653180229
Energy: 2.2967235449687666
Energy: 2.064857807363848
Energy: 2.050228923994905
Energy: 2.0913334988316663
Energy: 1.9490866463792937
Energy: 2.1857469228707465
Energy: 2.176307168411063
Energy: 2.297789861810029
Energy: 2.230487380428147
Energy: 1.953112831534227

minimum gb energy = 1.8545719206371443 eV
minimum distance =  2.44574215146009 Angstroms
sigma value = 165


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

Energy: 2.78955342269933
Energy: 1.9476262685726393
Energy: 1.8774466281843503
Energy: 2.002652946527533
Energy: 1.970278812864297
Energy: 1.8778853760185774
Energy: 1.878650447382284
Energy: 1.998721966773302
Energy: 1.9343921317248602
Energy: 1.9478623921046
Energy: 1.9647584625911279
Energy: 2.0571870733866815
Energy: 2.1270600426978064
Energy: 2.452994004298521
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Energy: 1.8793905783615923
Energy: 1.878429779230363
Energy: 1.8798778137494205
Energy: 1.97076489210995
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Energy: 2.060625836972005
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Energy: 2.4213084538447704
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Energy: 1.8779822333475626
Energy: 1.8745247963911846
Energy: 2.420392232907877
Energy: 1.8806620151461657
Energy: 1.8780878894065955
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Energy: 1.9725777175979247
Energy: 1.9429943838093833
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Energy: 1.9604550784207369
Energy: 2.0307934978655746
Energy: 1.8679698512950522
Energy: 1.8811178919481
Energy: 1.8777607999085397
Energy: 1.9462204342502771
Energy: 2.024843386192353
Energy: 1.947417937127999
Energy: 1.972095740648146
Energy: 1.959878337338017
Energy: 1.9713690879334045
Energy: 1.94359699964835
Energy: 1.8781553918776486
Energy: 1.878866896684601
Energy: 1.962661101335766
Energy: 1.9741213594137308
Energy: 1.9737678884013086
Energy: 1.9513645575670429
Energy: 2.020682349745331
Energy: 1.9736219267998176
Energy: 1.868749533552548
Energy: 1.8831057563453955
Energy: 1.9203347752134916
Energy: 1.8816535870340056
Energy: 1.9590930994029438
Energy: 1.9596090330123097
Energy: 1.902225884230873
Energy: 2.0336348984105395
Energy: 2.4212052961913457
Energy: 2.1275338497972465
Energy: 1.879788177726214
Energy: 1.88058064614568
Energy: 1.8789016466377617
Energy: 1.9644908733957187
Energy: 1.970339683245313
Energy: 1.9329053685862343
Energy: 1.9470993349177628
Energy: 1.8392049547585216
Energy: 1.9589763151499215
Energy: 2.0852202219774623
Energy: 2.1024856046211977
Energy: 2.1196921565758906
Energy: 1.9367456613281695

minimum gb energy = 1.812380006632331 eV
minimum distance =  2.44574196974962 Angstroms
sigma value = 41


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

Energy: 3.7286498274320614
Energy: 2.3358557804498226
Energy: 2.552193357036565
Energy: 2.0022268920828727
Energy: 1.9056368293939847
Energy: 2.047985097531251
Energy: 2.0607358128912336
Energy: 2.070935339749997
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Energy: 1.8110209675532156
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Energy: 2.0502204859792648
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Energy: 1.7935771634366184
Energy: 1.917708040892588
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Energy: 1.9304488769368142
Energy: 2.3741640013412666
Energy: 2.253788731102078
Energy: 2.036463695491053
Energy: 1.7656047726472843
Energy: 1.8064432752957258
Energy: 1.9348341514179932
Energy: 2.0984211850506718
Energy: 2.131450739382676
Energy: 2.033647459055543
Energy: 1.9749084645721708
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Energy: 2.0258876675536963
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Energy: 2.0245613355104815
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Energy: 1.9275727936006717
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Energy: 2.0118367858930015
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Energy: 2.024186842012875
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Energy: 2.103982263652086
Energy: 1.9722038472408816
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Energy: 2.090771221760676
Energy: 1.9854517044646058
Energy: 1.903541662160599
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Energy: 2.1213611415270606
Energy: 1.851495220078786
Energy: 2.0359479461885526
Energy: 2.3416749835310204
Energy: 2.2547858353151504
Energy: 2.1680119909246973
Energy: 2.1903346420301935
Energy: 1.8021231382427607
Energy: 1.8758410108666674
Energy: 2.0500971331382245
Energy: 1.8362155068598907
Energy: 1.856657508120267
Energy: 1.9150839714423995
Energy: 1.971305355493328
Energy: 2.0278243012260027
Energy: 2.1340374151194834
Energy: 2.0493662035515183
Energy: 2.0454992337372384
Energy: 1.9614996957619533
Energy: 1.8803741493054535
Energy: 1.836693866035222
Energy: 1.9261101871702784
Energy: 1.8908479976416321
Energy: 1.929007679044707
Energy: 2.045446821539519
Energy: 2.1224005075852963
Energy: 2.081955628100757
Energy: 2.0475138616458017
Energy: 2.0181460754235188
Energy: 1.850569352282959
Energy: 1.8381846463398193
Energy: 1.9233879981757223
Energy: 2.036056421699885
Energy: 2.0381046958981037
Energy: 1.91242839366577
Energy: 1.9927771738411373
Energy: 1.9276641126337337
Energy: 2.083443674935558
Energy: 1.9419063104159116
Energy: 1.837541410585657
Energy: 1.8196262009427777
Energy: 2.0806531350507425
Energy: 2.042017832909458
Energy: 2.0366236087366194
Energy: 1.9642301280935186
Energy: 1.9800347176529698
Energy: 2.0841491429977204
Energy: 1.9277366245940313
Energy: 2.54632605488151
Energy: 2.066406811772416

minimum gb energy = 1.761339923218705 eV
minimum distance =  2.44632585096866 Angstroms
sigma value = 185


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

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Energy: 2.390161989637624
Energy: 2.233679759427633
Energy: 1.9411238900982764
Energy: 1.975274719056632
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Energy: 1.8960414142933282
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Energy: 1.8488129059164453
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Energy: 2.3886359849991563
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Energy: 1.9639031982393789
Energy: 2.177870209860359
Energy: 2.1845404361754714
Energy: 1.960888266010082
Energy: 2.1338084523265346
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Energy: 2.0457160217293864
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Energy: 1.8936321124228181
Energy: 2.1183307790358645
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Energy: 2.1782143230735724
Energy: 2.158509771069133
Energy: 2.2016755126286864
Energy: 2.0562498584950757
Energy: 2.0419992206376385
Energy: 2.148286707536017
Energy: 2.0115042214124865
Energy: 2.000293845519436
Energy: 2.119331592072322
Energy: 2.221076598958118
Energy: 2.4783494851915346
Energy: 2.232533931474252
Energy: 1.863998076826487
Energy: 1.9197446787874273
Energy: 2.004694490919542
Energy: 1.9568304810679575
Energy: 1.9960188706370323
Energy: 2.068426322675294
Energy: 2.103900572166052
Energy: 2.1371412751636893
Energy: 2.192753636981854
Energy: 1.862537674342568
Energy: 2.0444893968340665
Energy: 2.0419213742526963
Energy: 2.184004583133967
Energy: 2.0023413993134542
Energy: 1.9385514098295926
Energy: 2.1301848144531665
Energy: 1.999347434960706
Energy: 2.1747257716065707
Energy: 2.1605388885435337
Energy: 2.1697256553583224
Energy: 2.0442104781757755
Energy: 2.157390855864395
Energy: 2.20663577900429
Energy: 1.941194773161891
Energy: 1.9396333875980827
Energy: 1.997287407151901
Energy: 2.1738851443232243
Energy: 2.2251059768819346
Energy: 2.4111981504471056
Energy: 2.394843303458701

minimum gb energy = 1.8427463364312535 eV
minimum distance =  2.42494429639323 Angstroms
sigma value = 33


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

Energy: 3.380339019152722
Energy: 2.187084380621601
Energy: 2.0450704467198286
Energy: 1.9953398722221898
Energy: 2.0154051861629405
Energy: 2.088572703245842
Energy: 2.025558303943232
Energy: 2.110865893895877
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Energy: 1.8869100873856868
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Energy: 1.9401191161363358
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Energy: 2.0090248717918318
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Energy: 2.0328456567706716
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Energy: 2.054171687569179
Energy: 1.9779405874683553
Energy: 1.8819867449974348
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Energy: 2.2014007762657988
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Energy: 2.184246706239973
Energy: 2.1345615784830594
Energy: 2.1798789124609326
Energy: 2.344983831211858
Energy: 1.9596102890416651
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Energy: 1.8830089628910747
Energy: 1.9130469359978388
Energy: 2.1154558350102133
Energy: 2.054005732708861
Energy: 2.0108368417780755
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Energy: 2.0930981880971107
Energy: 2.108087617982456
Energy: 1.9672379271336122
Energy: 1.9657237333858062
Energy: 1.9489131441232046
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Energy: 2.0306064129353523
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Energy: 1.9588983897819847
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Energy: 2.019078413764936
Energy: 2.0663568026538988
Energy: 1.9879395836865024
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Energy: 2.1169264202954214
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Energy: 2.094839315255564
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Energy: 2.130264311899954
Energy: 2.025022446440799
Energy: 2.18410974705013
Energy: 2.16244570007713
Energy: 2.1870511297995847

minimum gb energy = 1.871829272309185 eV
minimum distance =  2.43788268941439 Angstroms
sigma value = 219


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

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Energy: 1.7972489332645654
Energy: 1.82588290032731
Energy: 1.825271153731043
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Energy: 1.9226029188658649
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Energy: 1.829188067697028
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Energy: 1.8663023745165062
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Energy: 1.8250965857712906
Energy: 1.8264026820133006
Energy: 1.979796378755154
Energy: 1.8009904475428968
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Energy: 1.8240962020320766
Energy: 1.874002647636155
Energy: 1.8319169126038226
Energy: 1.800368843620581
Energy: 1.862140633483018
Energy: 1.8312756363579614
Energy: 1.8207166877752075

minimum gb energy = 1.7744713488396695 eV
minimum distance =  2.44984680358676 Angstroms
sigma value = 15


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

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Energy: 2.1783316756696496
Energy: 2.182466765499696
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Energy: 2.0035030587123988
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Energy: 2.0262646750953923
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Energy: 2.0208709544079646
Energy: 2.179329307212725
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minimum gb energy = 1.9800856636461361 eV
minimum distance =  2.42805882272303 Angstroms
sigma value = 293


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

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Energy: 2.2771392238670933
Energy: 2.0927896409859303
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Energy: 2.0270693311124535
Energy: 2.314880926686564
Energy: 2.320024863391364
Energy: 2.245836810312801
Energy: 2.0464559434692275
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Energy: 2.1950804269548696
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Energy: 2.0255725851547544
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Energy: 2.23973850562919
Energy: 2.1580272216044416
Energy: 2.0660027366663547
Energy: 2.1748629655650196
Energy: 2.2750531618321235
Energy: 2.3815385644820233
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Energy: 2.0063820217151362
Energy: 2.1715479493791077
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Energy: 2.2510884297096814
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Energy: 2.3518333853131805
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Energy: 2.1407150082994106
Energy: 2.0497410588137988
Energy: 2.0025051394443385
Energy: 1.9767069695799713
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Energy: 2.3996104811575902
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Energy: 2.2452824126408943
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Energy: 2.2687372758759974
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Energy: 2.133220619200636
Energy: 2.101267706918848
Energy: 2.06674482734566
Energy: 2.2987764284423626
Energy: 2.4062620496259353
Energy: 2.169082802416753
Energy: 2.0454473267447772
Energy: 2.455143729205017
Energy: 2.2484278286628236
Energy: 2.103422043767801
Energy: 2.0987732211421157
Energy: 2.1094755901071327
Energy: 2.130981334548736
Energy: 2.2711512388468567
Energy: 2.215616610660702
Energy: 2.166255256140209
Energy: 2.105361403154748
Energy: 2.049528368462116
Energy: 2.297335131168103
Energy: 2.13688486824625
Energy: 2.070463323761266
Energy: 2.1375216975190234
Energy: 2.0961880137651514
Energy: 2.1778612695470376
Energy: 2.271956137628693
Energy: 2.090035432653758
Energy: 2.4304305821325376
Energy: 2.0490792490718825
Energy: 2.3006025786196664
Energy: 2.07644363146827
Energy: 2.220945092281903
Energy: 2.146903462527759
Energy: 2.1498746680714724
Energy: 2.001125882218015
Energy: 2.000959344880086
Energy: 2.005628369594543
Energy: 2.2755985221248527
Energy: 2.2169030814506865
Energy: 2.2695360089308414
Energy: 2.348916630677849
Energy: 2.472470562723527
Energy: 2.3719285842645976
Energy: 2.146253932233419
Energy: 1.9774609517107105
Energy: 2.121487904770599
Energy: 2.0499879935473033
Energy: 2.2107627666126817
Energy: 2.2177882521400525
Energy: 2.3363418903693804
Energy: 2.049647708785968
Energy: 2.3897306505916496
Energy: 2.151698330914723
Energy: 2.1494089209422986
Energy: 1.9788077429925277
Energy: 1.9779402250881557
Energy: 2.049652628778763
Energy: 2.141345475694535
Energy: 2.120090119371529
Energy: 2.2974286152349896
Energy: 2.330047578056029
Energy: 2.0893442719167887
Energy: 2.0200088209062312
Energy: 2.152467660683475
Energy: 1.9786752226003277
Energy: 2.052663567486878
Energy: 2.002568570346932
Energy: 2.0516721880076108
Energy: 2.1625296683929998
Energy: 2.1349182809605702
Energy: 2.374128563465329

minimum gb energy = 1.9767069695799713 eV
minimum distance =  2.4336363021851 Angstroms
sigma value = 293


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

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Energy: 2.0495346994975057
Energy: 2.1564254843860904
Energy: 2.332250578809661
Energy: 1.9505192393703505
Energy: 1.9970679437165382
Energy: 1.8768145926135245
Energy: 1.9436524822902534
Energy: 1.9509184038618563
Energy: 2.1603895434182454
Energy: 1.7492554189375937
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Energy: 1.9310629081958564
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Energy: 1.9943618947680093
Energy: 1.992460590218782
Energy: 1.865624507337108
Energy: 1.9301577496363367
Energy: 11.385835283122043
Energy: 1.9520275030771683
Energy: 2.156679345218314
Energy: 2.1566610472260135
Energy: 1.9722850752565124
Energy: 1.993455327510522
Energy: 1.9456284513184023
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Energy: 1.8631619848683822
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Energy: 1.7492722765317905
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Energy: 2.084381855040382
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Energy: 1.8529636903863145
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Energy: 2.1562279145646657
Energy: 1.9699937328356363
Energy: 1.9438704748017943
Energy: 1.8571223511020865
Energy: 1.752853093733094
Energy: 1.8633687875008247
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Energy: 1.988413458515257
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Energy: 1.8562239902450044
Energy: 1.9451503547750195
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Energy: 1.9504461799557435
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Energy: 1.9954901770869404
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Energy: 2.1560520642193794
Energy: 1.8602089656550238
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Energy: 1.9532109415562913
Energy: 2.054463760555836
Energy: 1.7491021087294516
Energy: 1.972136349110495
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Energy: 2.3319206875774783
Energy: 1.9298240607608135
Energy: 1.8514775604791338
Energy: 1.9461619201396938
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Energy: 1.9509562869356445
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Energy: 2.1574406074578123
Energy: 2.157594889495591
Energy: 1.9506704580620526
Energy: 2.0164972059867705
Energy: 1.7531357649910646
Energy: 1.9444846165427236
Energy: 1.950506409640798
Energy: 1.74920312380359
Energy: 2.15860066123541
Energy: 2.0834805613203136
Energy: 2.2144518791350336
Energy: 1.929363593126093
Energy: 1.9946482443962283
Energy: 1.9491607570243485
Energy: 1.851388820728757
Energy: 1.9454117120633332
Energy: 1.9270452964668185
Energy: 2.1652161192333423
Energy: 1.7496061070732774
Energy: 1.8524551586346572
Energy: 2.155555185334477
Energy: 2.3308553863562067
Energy: 2.1567783059738335
Energy: 1.8629959691478135
Energy: 1.9458043216134766
Energy: 1.9934249457885898
Energy: 1.9516980356174534
Energy: 1.9527329307886634
Energy: 11.333997195365336
Energy: 1.9901476073134774
Energy: 1.8637536844650944
Energy: 2.1562114391872877
Energy: 2.1559121844164695
Energy: 1.9698305791930248
Energy: 1.9439721509486767
Energy: 1.8535187072275627
Energy: 1.9460557093010327
Energy: 1.92751988058885
Energy: 11.3281968759245
Energy: 11.427521717245593
Energy: 1.8611612986768595
Energy: 1.9708460576934037
Energy: 2.154649010611238
Energy: 1.8622428909930502
Energy: 1.9331189492411598
Energy: 1.992372176916809
Energy: 1.9462790378306822
Energy: 1.9525488520384902
Energy: 1.86110645812114
Energy: 2.049931536251818
Energy: 2.1638017880772686
Energy: 1.9520784031270944
Energy: 1.9847972085215446
Energy: 1.9968698512531935
Energy: 1.9519908586388408
Energy: 1.9503243007669102
Energy: 1.945574367771796
Energy: 1.9942852584678903
Energy: 1.9269391532398084
Energy: 1.7495516091332384
Energy: 1.9501166992277181
Energy: 1.9942986893000998
Energy: 1.8642201024469869
Energy: 2.332363431242293
Energy: 2.155550995561541
Energy: 1.9818859010638823
Energy: 1.9459502096098675
Energy: 1.8743613219708573
Energy: 1.9512167242668246
Energy: 1.928648639839167
Energy: 11.579655649811658
Energy: 1.7495243653038606
Energy: 1.9715412160920116
Energy: 2.159405614927244
Energy: 2.156538577109618
Energy: 1.8602889225265455
Energy: 1.9500110134152888
Energy: 1.9464289250642024
Energy: 1.9915927644860938
Energy: 1.9510773154272254
Energy: 11.432283897215013

minimum gb energy = 1.7491021087294516 eV
minimum distance =  1.60878341002789 Angstroms
sigma value = 15


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

Energy: 2.3303788825022114
Energy: 2.0281751884489774
Energy: 2.0518287259915984
Energy: 2.0444583138532497
Energy: 2.109231354351403
Energy: 2.36646827012917
Energy: 2.0594329098244164
Energy: 2.025857250483581
Energy: 2.0511630995723316
Energy: 2.0892662140307428
Energy: 2.2066707944352735
Energy: 2.468385588591689
Energy: 2.2733711249473783
Energy: 2.179767178413545
Energy: 2.058990027179356
Energy: 2.0399360808634555
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Energy: 2.00665639829986
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Energy: 2.31365196150652
Energy: 2.16320298690065
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Energy: 2.047246396599055
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Energy: 2.0122144087437928
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Energy: 2.1178516819994018
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Energy: 2.04566315888529
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Energy: 2.189779631948469
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Energy: 2.1212928542274385
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Energy: 2.233013013375678
Energy: 2.3360257192613556
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Energy: 2.0664739214649632
Energy: 2.0768328945475134
Energy: 2.125638062555912
Energy: 2.029717032451111
Energy: 2.3073040213123766
Energy: 2.3236801969196472
Energy: 2.2979290250314177
Energy: 2.23320611751851
Energy: 2.084363954871863
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Energy: 2.0462688956656354
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Energy: 2.0060504629050113
Energy: 2.0312717846946873
Energy: 2.052586250479479
Energy: 1.9944651410586711
Energy: 2.2634014127977893
Energy: 2.0534069177892147
Energy: 2.063622514029582
Energy: 2.0897941368738815
Energy: 2.194454145676142
Energy: 2.041676440083083
Energy: 2.003662402428051
Energy: 2.007970902458716
Energy: 2.00710031315118
Energy: 2.230606834936897
Energy: 2.252095434732634
Energy: 2.6109194064632386
Energy: 2.2035040976933034
Energy: 2.004087061354365
Energy: 2.0963365797221734
Energy: 2.0592143028741994
Energy: 2.0061666911834353
Energy: 2.0046519587339935
Energy: 2.143243086146099
Energy: 2.292901526287094
Energy: 2.3774804390742474
Energy: 2.167721233569848
Energy: 2.3042330188376483
Energy: 2.090322013197108
Energy: 2.071690048872186
Energy: 2.0623790442673364
Energy: 2.229073312443429
Energy: 2.0062434397238498
Energy: 1.9996573567811007
Energy: 2.279573617648434
Energy: 2.2030851184143443
Energy: 2.2884487723916354
Energy: 2.2881070197222795
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Energy: 2.0309396338666166
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Energy: 2.1639271308172723
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Energy: 2.025989145002932
Energy: 2.2304313274796117
Energy: 1.9924094202425908
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Energy: 2.130995616231271
Energy: 2.078879375375752
Energy: 2.117205194564931
Energy: 2.0827893216107065
Energy: 2.1653764234482886
Energy: 2.146109956002834
Energy: 2.2150365855075917
Energy: 2.2688307068578597
Energy: 2.1636066096115005
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Energy: 2.1170730816578414
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Energy: 2.1687404153382026
Energy: 2.1615552870420807
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Energy: 2.164773840186888
Energy: 2.1785617459167557
Energy: 2.206310889002525
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Energy: 2.1641926343003735
Energy: 2.118333800448403
Energy: 2.092613937110912
Energy: 2.07912876905185
Energy: 2.172940027080786
Energy: 2.162697252484286
Energy: 2.1632028172664874
Energy: 2.3073140153696934
Energy: 2.1332904779608137
Energy: 2.2318885871457077
Energy: 2.164669884698164
Energy: 2.3285707650589984
Energy: 2.333923394117094
Energy: 2.2616288354041854
Energy: 2.0657503667243766
Energy: 2.0100305426537606
Energy: 2.1120184980078514
Energy: 2.30650065019085
Energy: 2.032009249785629
Energy: 2.027910707544991
Energy: 2.045693543828263
Energy: 2.007589389585178
Energy: 2.2552231614026814
Energy: 2.029241771134804
Energy: 2.11112307532879
Energy: 2.077135570733721
Energy: 2.1534191896791954
Energy: 2.226310909921614
Energy: 2.007751082284742
Energy: 2.067151738883128
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Energy: 2.0073987363704524
Energy: 2.005232432302985
Energy: 2.0303653077696198
Energy: 2.0531238329368184
Energy: 2.0852433555297485
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Energy: 2.1706373480167724
Energy: 2.3780807690025045
Energy: 2.3385134810216166
Energy: 2.1379210496444303
Energy: 2.0044412521474375
Energy: 2.003822677871058
Energy: 2.0411535173111166
Energy: 2.0515197605916096
Energy: 1.9964218582960647
Energy: 2.1481218985584016
Energy: 2.4883955461475913
Energy: 2.314906093088994
Energy: 2.2304340998419416
Energy: 2.056397371557125
Energy: 2.032962355684015
Energy: 2.0586300726626976
Energy: 2.3667557010870843
Energy: 2.3141705254582567
Energy: 2.115975080621689
Energy: 2.105811320506846
Energy: 2.0510865530390596
Energy: 1.9913189402420768
Energy: 2.0082489903793213
Energy: 2.234118798550546
Energy: 2.0043319855095025
Energy: 2.025668546383033
Energy: 2.071696551339697
Energy: 2.045930168228227
Energy: 2.0450464631488874
Energy: 2.084265277910738
Energy: 2.230432107925551
Energy: 2.158171446852619
Energy: 2.3234123147366925
Energy: 2.1966557384802883
Energy: 2.105765024905138
Energy: 2.114356425545861
Energy: 2.080581512944501
Energy: 2.0674813280501882
Energy: 2.0452790302746426
Energy: 2.0466191648683076
Energy: 2.235877815900204
Energy: 2.2446621847566877
Energy: 2.420964659906
Energy: 2.286747869545934
Energy: 2.2001576863088372
Energy: 2.151919533190666
Energy: 2.0827395798922645
Energy: 2.107631124611161
Energy: 2.1036500602833743
Energy: 2.261244615376734
Energy: 2.3083491182261144
Energy: 2.0962339969573627
Energy: 2.2885148099181154
Energy: 2.0747256788665753
Energy: 2.0265433446771217
Energy: 2.0114855130179117
Energy: 2.119493544679828
Energy: 2.1866970643541395
Energy: 2.2766452341542736
Energy: 2.27308302707946
Energy: 2.0489741151766356
Energy: 2.0471529956312686
Energy: 2.179641126270295
Energy: 2.073492105401187
Energy: 2.2915188792924956
Energy: 2.231465918258312
Energy: 2.0975946273680495
Energy: 2.1331105639174903
Energy: 2.1012367124151643
Energy: 2.234155249452882
Energy: 2.308308936996719
Energy: 2.117056266657566
Energy: 2.289236714621276
Energy: 2.0523369598490193
Energy: 2.1050681387598194
Energy: 2.2304908662054115
Energy: 2.315704961590176
Energy: 2.179014103355786
Energy: 2.183334893283948
Energy: 2.2355853667353243
Energy: 2.24439782938505
Energy: 2.1079691893507957
Energy: 2.2797753613943263
Energy: 2.0283432332148466
Energy: 2.069117170514438
Energy: 2.3090470799304774
Energy: 2.1301295482813636
Energy: 2.224679318574672
Energy: 2.1409976429629847
Energy: 2.1998510130803095
Energy: 2.010645197072359
Energy: 2.3354745160090364
Energy: 2.0522050562608025
Energy: 2.2319292403806954
Energy: 2.3369500981853673
Energy: 2.047677382431371
Energy: 2.0105432280298654
Energy: 2.070975506934194
Energy: 2.128648602046702
Energy: 2.0660270782074464
Energy: 2.112973074402246
Energy: 2.2779184011259797
Energy: 2.288318935540651
Energy: 2.2534230431240165
Energy: 2.230244054767238
Energy: 2.0848944662953404
Energy: 2.0558133888203667
Energy: 2.0463391556122756
Energy: 2.083263396723579
Energy: 2.0298340490559275
Energy: 2.030605880007856
Energy: 2.2788275268883873
Energy: 2.164196387164815
Energy: 2.170533221976134
Energy: 2.0495901643803975
Energy: 2.0623000835775427
Energy: 2.092103327607191
Energy: 2.1072764336219607
Energy: 2.3737729258489795
Energy: 2.3472264566724013
Energy: 2.030938883654026
Energy: 2.050395580956075
Energy: 2.139494083081111

minimum gb energy = 1.9913189402420768 eV
minimum distance =  2.43198522339839 Angstroms
sigma value = 437


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

Energy: 2.6667592424970574
Energy: 1.9317026043704741
Energy: 1.9013642859953663
Energy: 2.03406578759528
Energy: 2.085408357693046
Energy: 2.112419831225939
Energy: 2.1307646528625104
Energy: 2.0825760785129774
Energy: 2.071290192792839
Energy: 1.9329777378557036
Energy: 2.2802246091966394
Energy: 2.0492899334652344
Energy: 2.132409950152031
Energy: 2.04326284650455
Energy: 1.9773107985051144
Energy: 1.8997704720540487
Energy: 2.0430628373895394
Energy: 2.025639930902873
Energy: 1.943070922092963
Energy: 2.259371245169196
Energy: 2.289485420943152
Energy: 1.998997780729787
Energy: 2.258666082355654
Energy: 2.2622116650533615
Energy: 1.984349156557157
Energy: 2.0184502322023326
Energy: 2.0659338895437798
Energy: 2.0487711584197363
Energy: 1.9969405153554058
Energy: 2.086807227331038
Energy: 2.0530674844810286
Energy: 2.04342153865536
Energy: 2.001357240008299
Energy: 1.9711884437934444
Energy: 2.0556553850823702
Energy: 1.9815322031104494
Energy: 2.080336615635539
Energy: 1.9071335891166843
Energy: 2.1806734246761175
Energy: 2.1792978000081473
Energy: 2.0719484704692626
Energy: 2.2983359638194676
Energy: 2.0706476016677313
Energy: 1.9896443199844862
Energy: 2.1318357537873975
Energy: 2.0760966759521025
Energy: 2.280373360057028
Energy: 1.9873330077120566
Energy: 2.2581863217073472
Energy: 2.031845156872859
Energy: 1.9971438004870397
Energy: 2.2225106681725846
Energy: 1.9962784353007639
Energy: 2.048093508503432
Energy: 2.0831977591194972
Energy: 2.042315618853832
Energy: 2.006178616593664
Energy: 1.982380488364545
Energy: 2.2599281531512196
Energy: 1.9961692725884026
Energy: 2.2824252263789093
Energy: 2.0023220388723026
Energy: 2.0740063428144793
Energy: 2.0295790705922174
Energy: 2.003224134737199
Energy: 1.9943592439375748
Energy: 2.1520465363432377
Energy: 2.1525730906944323
Energy: 2.020021653331386
Energy: 2.0436093714454793
Energy: 1.973121120060509
Energy: 2.1413619497118432
Energy: 1.9795401363643288
Energy: 1.9900687241331114
Energy: 2.0932584969121755
Energy: 2.079955471948204
Energy: 2.0513493352482572
Energy: 2.076344102525656
Energy: 2.0774140464612647
Energy: 2.3935109147239344
Energy: 2.262437091323595
Energy: 2.0008346928433483
Energy: 2.2926469517602195
Energy: 2.23079759956245
Energy: 2.0426518669797633
Energy: 1.9959729423239403
Energy: 2.026368729358847
Energy: 2.0421427019128577
Energy: 1.9980233349542278
Energy: 2.216008246835875
Energy: 2.293526888828313
Energy: 1.9963563108791904
Energy: 2.234801622621966
Energy: 1.9974168415304276
Energy: 2.0267223506167293
Energy: 2.0319432430183166
Energy: 1.997241102574725
Energy: 1.9029584922065388
Energy: 1.9731132313736053
Energy: 2.0865526587841954
Energy: 1.9762450625633503
Energy: 1.9762103667275965
Energy: 2.011394470005622
Energy: 2.1318927534872754
Energy: 2.1382126133280135
Energy: 2.05974518532771
Energy: 2.076616814733205
Energy: 1.9064493421751203
Energy: 1.97461144762953
Energy: 1.9844851424881862
Energy: 2.042507306185038
Energy: 2.094729081305629
Energy: 2.026403871886598
Energy: 2.1432841173026502
Energy: 2.1330459197825165
Energy: 2.074632366733641
Energy: 2.0578972484466123
Energy: 1.9854838175552
Energy: 2.26825192757777
Energy: 1.9997383225432823
Energy: 1.9967715192619058
Energy: 2.259278782181081
Energy: 2.0022760608655026
Energy: 1.9956812780758364
Energy: 2.089174172491242
Energy: 1.991852293767292
Energy: 2.041572192816568
Energy: 2.158011933789478
Energy: 2.2588476208723827
Energy: 1.9963641614889545
Energy: 2.5244137244328795
Energy: 2.1138171178072085
Energy: 1.999398766579167
Energy: 2.0326892591005774
Energy: 2.0929366011844874
Energy: 1.9043728030712865
Energy: 2.177043749967945
Energy: 2.078710090960198
Energy: 2.0754500379757244
Energy: 1.8264411873723096

minimum gb energy = 1.8264411873723096 eV
minimum distance =  2.45452045216031 Angstroms
sigma value = 33