Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_004
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=3.1435002833604813
cohesive_energy=6.694239684074787
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=[2.34331150135572e-19, 3.4944754128847197e-19, 4.4317006784757e-19, 5.230594013487119e-19, 5.92787730637026e-19, 6.544298744535419e-19, 7.09280391518532e-19, 7.5829257692922595e-19, 8.02310777771742e-19, 8.419149819875879e-19, 8.77581036037062e-19, 9.09528438119022e-19, 9.379830951388619e-19, 9.631917422982179e-19, 9.853578560296079e-19, 1.0046608801160399e-18, 1.0212578278676458e-18, 1.0352848842983159e-18, 1.0469102779546199e-18, 1.0563150547961999e-18, 1.0634879995866179e-18, 1.06851562986411e-18, 1.071478054460376e-18, 1.072450575677214e-18, 1.0713931390987738e-18, 1.067948459335674e-18, 1.061735218349022e-18, 1.052219891319696e-18, 1.03861901387367e-18, 1.020099454161264e-18, 9.956486365497898e-19, 9.64015261088094e-19, 9.236500229710979e-19, 8.72631912414636e-19, 8.085384383480999e-19, 7.28375132642544e-19, 6.282567169605179e-19, 5.03117108785314e-19, 3.4643865356982e-19, 1.502143133679576e-19, -9.712843364765519e-20, -4.11373270369206e-19, -8.138400408300059e-19, -1.334078009126244e-18, -2.0151376614134998e-18, -2.9193901318767598e-18, -4.14245973073968e-18, -5.83310855846916e-18, -8.232352046117819e-18, -1.175440091887368e-17, -1.71522621729504e-17, -2.5909279001404198e-17, -4.12634183380164e-17, -7.141798476653039e-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: 0.019313763345751536
Energy: 0.26479566817924577
Energy: 0.028931786145257838
Energy: 0.02892527385205067
Energy: 0.2630851170920337
Energy: 0.0349677787256549
Energy: 0.26357130625055825
Energy: 0.028644480392566334
Energy: 0.029529293360179253
Energy: 0.02237938337798039
Energy: 0.030550178578610667
Energy: 0.028617552232564365
Energy: 0.26446908871976604
Energy: 0.0204526152521551
Energy: 0.02059944507100859
Energy: 0.029768318193772802
Energy: 0.028788390308542727
Energy: 0.2639468640967428
Energy: 0.033104570629060685
Energy: 0.26272387110081086
Energy: 0.028485000540887758
Energy: 0.030366890304434124
Energy: 0.26183261509734446
Energy: 0.02254509048124504
Energy: 0.02862637792343939
Energy: 0.26634609706844387
Energy: 0.021969342038694658
Energy: 0.019797946004120652
Energy: 0.0308268632964944
Energy: 0.02866568682742818
Energy: 0.02186519826116066
Energy: 0.26217360148038815
Energy: 0.029838464925143915
Energy: 0.02881904794822158
Energy: 0.03069205712902088
Energy: 0.03155007100052111
Energy: 0.02038157314085585
Energy: 0.023934916989091923
Energy: 0.028603618365013208
Energy: 0.0238638099292797
Energy: 0.02152924151276197
Energy: 0.029369128755525782
Energy: 0.02891484281124658
Energy: 0.022651829224188694
Energy: 0.020051916822474595
Energy: 0.030858972849793644
Energy: 0.02938524827529343
Energy: 0.028934608766784938
Energy: 0.029760990000816317
Energy: 0.019934247995679614
Energy: 0.028871491382991797
Energy: 0.02829467777524417
Energy: 0.2629155316357448
Energy: 0.019959339465646837
Energy: 0.022788711023088624
Energy: 0.028508792740551493
Energy: 0.025027328453693643
Energy: 0.021891094603503438
Energy: 0.030015198291102784
Energy: 0.030559923014822275
Energy: 0.02292206310055902
Energy: 0.2617814728474933
Energy: 0.03118031340438975
Energy: 0.2648717058210252
Energy: 0.031185837408244342
Energy: 0.03119638485383084
Energy: 0.019799152202551955
Energy: 0.02152340439171859
Energy: 0.2658677454814927
Energy: 0.03156541229798995

minimum gb energy = 0.019313763345751536 eV
minimum distance =  2.72026337778358 Angstroms
sigma value = 3


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

Energy: 2.0053222769238626
Energy: 2.2005797678384824
Energy: 2.263340062509944
Energy: 2.1534425645791613
Energy: 2.275273210317335
Energy: 2.257949264013168
Energy: 2.2459189929924057
Energy: 2.2648948371628324
Energy: 2.236212799527314
Energy: 2.3485922842924585
Energy: 2.0812446438985486
Energy: 2.1771530240481107
Energy: 2.2457962007000716
Energy: 1.2741755560332868
Energy: 2.3166646937523803
Energy: 2.1821822320903195
Energy: 2.1804746527018897
Energy: 2.261508289517067
Energy: 2.211418671649658
Energy: 2.1987228675456576
Energy: 1.5879182222261141
Energy: 2.142432543546481
Energy: 2.2646685300206837
Energy: 2.154788343940365
Energy: 2.3315283982567556
Energy: 2.1665454078176913
Energy: 2.3229543800553105
Energy: 2.077997847224059
Energy: 2.18992375162542
Energy: 2.1543982889603885
Energy: 1.81703139651602
Energy: 2.2709458698139673
Energy: 2.273146722191806
Energy: 2.1569715476236575
Energy: 2.105876407694591
Energy: 2.2100519022025136
Energy: 2.262578570967507
Energy: 2.149523131038466
Energy: 2.262307112138643
Energy: 2.3690764227984293
Energy: 2.2159234246478223
Energy: 2.3717658889799442
Energy: 2.3295890611934547
Energy: 1.7167212904105464
Energy: 2.1841993637121284
Energy: 2.2618993507748564
Energy: 2.261342174378696
Energy: 2.1164310122357137
Energy: 2.1347902611537766
Energy: 2.1471244391990196
Energy: 1.6193145310572832
Energy: 2.07417860970001
Energy: 2.106499982543561
Energy: 2.097792298937594
Energy: 1.5710458351614685
Energy: 2.139410792944068
Energy: 2.0019137242644427
Energy: 2.067282935531724
Energy: 2.0810049173434555
Energy: 2.1415109643495693
Energy: 2.0815053499449574
Energy: 2.103602258058987
Energy: 2.111082786899283
Energy: 2.099402995529645
Energy: 2.10579070603767
Energy: 2.031638660112772
Energy: 2.1416704579759607
Energy: 2.1527524009502703
Energy: 2.4067306668982846
Energy: 2.081066926739394
Energy: 2.083490812373714
Energy: 2.092846012908851
Energy: 2.076545727750048
Energy: 2.0775559976132385
Energy: 2.0595448578107654
Energy: 2.072588487384632
Energy: 2.063612740621531
Energy: 2.1575013834459877
Energy: 1.9261950849524705
Energy: 2.1078043373290414
Energy: 2.107900746784437
Energy: 2.1423662967241213
Energy: 2.0709779513890063
Energy: 2.0648984043347447
Energy: 2.069423984191955
Energy: 2.051535284876973
Energy: 2.1228793598706326
Energy: 2.11506856340975
Energy: 2.1530856885025345
Energy: 2.1297657449458405
Energy: 2.0907698517997098
Energy: 2.2071676206799484
Energy: 2.0597614458941496
Energy: 2.0639264827010657
Energy: 2.111547401732474
Energy: 2.104625968421354
Energy: 2.1277885686927482
Energy: 2.1293331549280095
Energy: 2.127117737544102
Energy: 2.1587417404997287
Energy: 2.0969148079557804
Energy: 2.1517029371993392
Energy: 2.2717353719614635
Energy: 2.1433923315853103
Energy: 2.338513300297058
Energy: 2.0245604332068234
Energy: 2.1255076138967532
Energy: 2.1250895215085035
Energy: 2.1158433846227847
Energy: 2.151527941889061
Energy: 2.1726687447093322
Energy: 2.1542197888516696
Energy: 2.299803855134189
Energy: 2.1187564701824737
Energy: 2.1252595534907566
Energy: 2.30970267071617
Energy: 2.230435600674824
Energy: 1.9738067755184352
Energy: 2.2253318932004484
Energy: 2.1546306636699084
Energy: 2.3055777771835424
Energy: 2.1519419843668257
Energy: 2.3000604721719413
Energy: 2.3291143989825054
Energy: 2.0952212054006654
Energy: 2.342819330374631
Energy: 2.3091914203762443
Energy: 2.302950451188957
Energy: 2.273280523700615
Energy: 2.354245691094462
Energy: 2.0221340754539594
Energy: 2.456436918880643
Energy: 2.291279851154003
Energy: 2.237158731140974
Energy: 2.1864891837230163
Energy: 2.259767297266146
Energy: 2.326408685642129
Energy: 2.1607449827183896
Energy: 2.1523153571318914
Energy: 1.7251262340940172
Energy: 2.3317830498623393
Energy: 2.3247456300389544
Energy: 2.261222244514935
Energy: 2.3106955766806263
Energy: 2.325824540363066
Energy: 2.3365328351689736
Energy: 2.280549234706097
Energy: 2.267700062499545
Energy: 2.152194986519025
Energy: 2.342286023432994
Energy: 2.2345338385050977
Energy: 2.302179112272794
Energy: 2.250120227049844
Energy: 2.250300176634649
Energy: 2.326883410598182
Energy: 2.3516445281864096
Energy: 2.0995441628672333
Energy: 2.0936894053878983
Energy: 1.285386835653185
Energy: 2.205707437352913
Energy: 2.3316958478175285
Energy: 2.379356230455344
Energy: 2.23163479472669
Energy: 2.3040989297189913
Energy: 2.3333848377467965
Energy: 2.2641713558015457
Energy: 1.988846371634214
Energy: 2.331864575301797
Energy: 2.202700110484997
Energy: 2.314504549732181
Energy: 2.259437372093175
Energy: 2.2300478482495847
Energy: 2.1490519022219283
Energy: 2.2832736888234564
Energy: 2.316462602772254
Energy: 2.262510815107441
Energy: 2.056568769664751
Energy: 2.4520359375750607
Energy: 2.22493721215609
Energy: 2.1631770563386286
Energy: 2.2504193473248453
Energy: 2.2510724501167783
Energy: 2.11856068313929
Energy: 2.1738105171448785
Energy: 2.05440578758058
Energy: 2.188739369479114
Energy: 2.3263640371182657
Energy: 2.389890072474862
Energy: 1.7508205245287811
Energy: 2.252518640890349
Energy: 2.2299629814475517
Energy: 2.2604765796460966
Energy: 2.0883203863354396
Energy: 2.034428910842673
Energy: 1.9842553928000277
Energy: 2.111298012567461
Energy: 2.0642256519150517
Energy: 2.249931501019493
Energy: 2.2132324483003947
Energy: 2.233851842500971
Energy: 2.2118891226235107
Energy: 1.9830873445311654
Energy: 2.2794363191877016
Energy: 2.2117233543801555
Energy: 2.1182297858943895
Energy: 2.1843648338942225
Energy: 2.072696386766186
Energy: 2.075008001067002
Energy: 2.062065693807511
Energy: 2.069081214687368
Energy: 2.1491124843717166
Energy: 2.1007629610417053
Energy: 2.1343470362103045
Energy: 2.276216397024471
Energy: 2.0743754818350713
Energy: 2.1776301747070024
Energy: 2.0557960667115873
Energy: 2.0752395466452533
Energy: 2.0683208970991678
Energy: 2.0900683708980856
Energy: 2.078674039354728
Energy: 2.116428138510679
Energy: 2.168202812043032
Energy: 1.258331214437667
Energy: 2.116425076388784
Energy: 2.185431907928847
Energy: 2.04967261850276
Energy: 2.1050423051108353
Energy: 2.1104863444849116
Energy: 2.101822104012783
Energy: 2.0237783391871296
Energy: 2.0740030266527563
Energy: 2.0712516507805923
Energy: 2.0735627532675496
Energy: 2.0069948920941276
Energy: 2.0064052167632482
Energy: 2.1771559814509356
Energy: 2.101459060022746
Energy: 2.1106798593298075
Energy: 2.0832978077297786
Energy: 0.40953983707917274
Energy: 2.036677522251049
Energy: 2.1325704998556763
Energy: 2.119757964942958
Energy: 2.1566733962083267
Energy: 2.1102675070142003
Energy: 2.1569038183327596
Energy: 2.2502105234409306
Energy: 2.0968464458629597
Energy: 2.1698418837422677
Energy: 2.307794972362701
Energy: 2.254971660261045
Energy: 2.2687989437397516
Energy: 2.1512507646550265
Energy: 2.0617087062648762
Energy: 2.112130535457164
Energy: 2.0987475299714102
Energy: 2.178106895646853
Energy: 2.2414357101896862
Energy: 2.250346559984489
Energy: 1.5003791407040519
Energy: 1.6608781827406889
Energy: 2.198294125663151
Energy: 2.2657577642883657
Energy: 2.457871366673081
Energy: 2.1873423702071544
Energy: 2.185038970956843
Energy: 2.168729032354896
Energy: 2.2564394743869927
Energy: 2.0684480492260473
Energy: 2.0828002982556604
Energy: 2.1975582437079555
Energy: 2.1986453963840553
Energy: 2.104639732554207
Energy: 1.7428201791112274
Energy: 2.264313686509345
Energy: 2.2664570593799493
Energy: 2.366744683401396
Energy: 2.256391617282795
Energy: 2.1351351297431402
Energy: 1.8730307171263683
Energy: 2.1826868684321266
Energy: 2.27156364179462
Energy: 2.154990917976836
Energy: 2.182722888356165
Energy: 2.2691172098617716
Energy: 2.24976230125536
Energy: 2.2998809399180344
Energy: 2.1396243873899032
Energy: 2.383335292962207

minimum gb energy = 0.40953983707917274 eV
minimum distance =  2.5485522936964 Angstroms
sigma value = 75


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

Energy: 1.7915936639577343
Energy: 2.035794511003597
Energy: 1.9838034563313895
Energy: 1.9578549061895765
Energy: 2.05662205387053
Energy: 1.9612348470088625
Energy: 1.7710234733796533
Energy: 2.046629451043823
Energy: 1.9815176373423653
Energy: 2.038636167691034
Energy: 1.9676892618242274
Energy: 1.9685639897893743
Energy: 2.090961636766312
Energy: 1.9190076164264667
Energy: 1.8918821611534906
Energy: 1.9917113869046768
Energy: 1.9822410137097235
Energy: 2.0101280059300537
Energy: 1.8225510967188085
Energy: 2.0117323345237326
Energy: 1.8396439727766416
Energy: 1.9675438875957605
Energy: 1.9622680353184998
Energy: 2.0329582125180115
Energy: 1.995261450318007
Energy: 2.1676398186428476
Energy: 1.811139362014692
Energy: 2.1371437616047833
Energy: 2.1549493270132976
Energy: 1.8881706116045205
Energy: 1.7267682250064418
Energy: 1.9411576675920603
Energy: 1.9409279673465252
Energy: 1.978357438802146
Energy: 2.0239644819098404
Energy: 2.0012233979875864
Energy: 1.986452635705809
Energy: 2.1503045199551902
Energy: 1.7565926066433737
Energy: 1.983234034839787
Energy: 1.8990256624158708
Energy: 1.9776941048992172
Energy: 1.9838032288637342
Energy: 1.976293113244606
Energy: 2.0457996381265287
Energy: 2.0358614498456715
Energy: 2.0336197569778895
Energy: 2.0893506239333948
Energy: 2.008996535579655
Energy: 1.9632347985786387
Energy: 1.9996058534634178
Energy: 2.0545957114989255
Energy: 2.048172221248817
Energy: 2.036886837322104
Energy: 1.9743411430139375
Energy: 2.0294714329916963
Energy: 2.0281996409431273
Energy: 2.0267015703884783
Energy: 2.045535946492273
Energy: 1.9982294452570124
Energy: 2.0188943532576986
Energy: 2.00601822288435
Energy: 2.0221463219096605
Energy: 1.9781927756167426
Energy: 2.206983332346334
Energy: 2.02613571043814
Energy: 1.9974587701133715
Energy: 2.026516044974293
Energy: 2.0028804609798816
Energy: 2.0450917427648925
Energy: 1.9963389214786056
Energy: 2.0240191588253067
Energy: 2.0431062751598956
Energy: 2.012177930298911
Energy: 2.0506848133543736
Energy: 1.958190155389436
Energy: 2.1591719604303266
Energy: 1.950835341810914
Energy: 2.0126899250030963
Energy: 1.923119495053681
Energy: 1.9765917251581437
Energy: 2.0240760178068933
Energy: 2.0538856320704935
Energy: 2.0452632133099917
Energy: 2.15688015636627
Energy: 2.033429253051507
Energy: 2.021953361360366
Energy: 2.0590197516846653
Energy: 1.717541484596427
Energy: 2.01552811996241
Energy: 2.027912886181265
Energy: 2.0473497677110757
Energy: 1.8566955811164407
Energy: 1.9675960866147437
Energy: 1.9815939460324818
Energy: 2.0432109036117145
Energy: 1.854859967101905
Energy: 2.01459633384504
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Energy: 2.1151410630033243
Energy: 2.175751910113928
Energy: 0.6518510410247368
Energy: 1.9821900671149082
Energy: 1.8215324236673922
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Energy: 1.9497096811301984
Energy: 2.0498107366060987
Energy: 2.030455708324126
Energy: 1.8165390528145038
Energy: 2.053335223214201
Energy: 2.1615770577216495
Energy: 2.046748242151367
Energy: 2.0231416480595876
Energy: 1.9787397733672498
Energy: 0.9829314521115079
Energy: 1.8984668272913328
Energy: 1.8855367674891512
Energy: 1.9021266679519275
Energy: 1.9881448936409434
Energy: 2.0123932236849185
Energy: 1.9666252145622602
Energy: 2.0600720033129356
Energy: 1.9784126124041004
Energy: 1.9741395900828749
Energy: 2.035695932652857
Energy: 1.989061940446784
Energy: 2.1109749706914527
Energy: 2.173037882070237
Energy: 1.9255982355169483
Energy: 2.042324558857202
Energy: 2.0497654117359896
Energy: 1.8221027090166972
Energy: 1.3812676391400855
Energy: 2.040637030195144
Energy: 1.9801361151448076
Energy: 2.0675103752942885
Energy: 2.0466860399180953
Energy: 2.044489778332232
Energy: 1.8366649185676078
Energy: 2.046584371341235
Energy: 1.8398424287031159
Energy: 2.034496387837214
Energy: 2.0593862572046895
Energy: 2.0119205345932927
Energy: 2.049080207075581
Energy: 2.094573356347142
Energy: 2.0508637764028173
Energy: 2.0508339261367583
Energy: 2.0566581440787575
Energy: 2.072211704844113
Energy: 2.040830592990852
Energy: 2.0134940693337207
Energy: 2.0454076747879006
Energy: 2.0743309614990424
Energy: 2.0337349474080075
Energy: 2.0609300449642074
Energy: 2.010023175523586
Energy: 2.0351500523162516
Energy: 2.03267137177633
Energy: 2.015587035576083
Energy: 2.061050337792661
Energy: 2.01104193463072
Energy: 2.060721600586336
Energy: 2.0567534293648557
Energy: 2.1368448291752076
Energy: 1.902776434781239
Energy: 1.9706320138213929
Energy: 2.0465094465729554
Energy: 2.043559823425624
Energy: 2.029436563055499
Energy: 2.0619070234719796
Energy: 2.036923332953877
Energy: 2.0427124777214303
Energy: 2.0450913955728485
Energy: 2.0824401704494258
Energy: 2.075892620798599
Energy: 2.115008521020158
Energy: 1.8696266173442442
Energy: 2.1858403054007427
Energy: 2.044854874134255
Energy: 1.8202008308487434
Energy: 2.076335124481747
Energy: 1.9991286156627674
Energy: 2.012640080113771
Energy: 2.0749056067188865
Energy: 2.2545842027704834
Energy: 2.0285496922509014
Energy: 1.976753940212591
Energy: 2.085911631476186
Energy: 1.9767125086100308
Energy: 2.007425516214384
Energy: 2.2398043276043564
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minimum gb energy = 0.6486353124819867 eV
minimum distance =  2.55551629840651 Angstroms
sigma value = 105


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

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Energy: 2.0591793400733884
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Energy: 2.23560008891223
Energy: 2.232329518948882
Energy: 2.2394797865013834
Energy: 2.29927166888969
Energy: 2.3359514330924913

minimum gb energy = 0.27399544622347577 eV
minimum distance =  2.54018229130623 Angstroms
sigma value = 165


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

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Energy: 2.351233512266942
Energy: 2.3530839228978837
Energy: 2.3547889224320695
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Energy: 2.4063857554629817
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Energy: 2.3535703038869458
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Energy: 2.4057822208042614
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Energy: 2.3511560464766985
Energy: 2.3946080754366847
Energy: 2.3506552581281275
Energy: 2.3518892116040644
Energy: 2.343248264502912
Energy: 2.350899919457616
Energy: 2.3658536538560706
Energy: 2.406499997468794
Energy: 2.3968259251028408
Energy: 2.352174173237985
Energy: 2.3723699543080494
Energy: 2.343856826234332
Energy: 2.4153267500193025
Energy: 2.352367385073113
Energy: 2.3533264276400034
Energy: 2.350176536953694
Energy: 2.40560633935966
Energy: 2.3409675623494874
Energy: 2.342008854558019
Energy: 2.404351507074308
Energy: 2.518985121298885

minimum gb energy = 2.3409675623494874 eV
minimum distance =  2.52529445042464 Angstroms
sigma value = 41


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

Energy: 5.660030938512922
Energy: 1.7190021747248945
Energy: 1.837643813891369
Energy: 1.939945785077895
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Energy: 1.786531561413556
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Energy: 1.7774023121251379
Energy: 1.7691140879604144
Energy: 1.6011993039326986
Energy: 1.8279463188038563
Energy: 1.805582443833194
Energy: 1.7519375808758284
Energy: 1.9189948455374772
Energy: 1.714235809984328
Energy: 1.7482266535896938
Energy: 1.7757440083750688
Energy: 1.7092553041029703
Energy: 1.7085498368635554
Energy: 1.7028364374954488
Energy: 1.8248423673351428
Energy: 1.7111418439982065
Energy: 1.7186894890998445
Energy: 1.7874312499539433
Energy: 1.794080624766964
Energy: 1.779605689850045
Energy: 1.8607477295150985
Energy: 1.7182567304654317
Energy: 1.7200684127454064
Energy: 1.7192948106475703
Energy: 1.722065077487147
Energy: 1.713890339909296
Energy: 1.7210009814300633
Energy: 1.7357522762517268
Energy: 1.7847755699742627
Energy: 1.7227251053681114
Energy: 1.9390337889211628
Energy: 1.8762524882446117
Energy: 1.7195709020440761
Energy: 1.784164681924413
Energy: 1.7540115629927202
Energy: 1.7275513621861305
Energy: 1.7850245800972961
Energy: 1.7209871691012553
Energy: 1.7227061828079009
Energy: 1.719143317957227
Energy: 1.7207817905321303
Energy: 1.6703502986350263
Energy: 1.6647047388720035
Energy: 1.7596439877373349
Energy: 1.7521892854699075
Energy: 1.6701491744570165
Energy: 1.6890908865780407
Energy: 1.7093011170212071
Energy: 1.7579933746796221
Energy: 1.7942762980890095
Energy: 1.729282840836238
Energy: 1.6651889229748897
Energy: 1.6742398348641003
Energy: 1.8237022090772896
Energy: 1.8593960261383413

minimum gb energy = 1.3739644902340884 eV
minimum distance =  2.5552532782692 Angstroms
sigma value = 185


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

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Energy: 2.3560098609309534
Energy: 2.3581490382847607
Energy: 2.3359391285745232
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Energy: 2.4200727955115013
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Energy: 2.522279609026641
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Energy: 2.4185064592825354
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Energy: 2.517480150244428
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Energy: 2.6653915980281
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Energy: 2.663980505097496
Energy: 2.6309512256016485
Energy: 2.3537417034053703
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Energy: 2.319462987034034
Energy: 2.547279749146881
Energy: 2.421778002929848
Energy: 2.417482407973237
Energy: 2.5178862783131994
Energy: 2.431401030612155
Energy: 2.3175468003081137
Energy: 2.4954325939467457
Energy: 2.3696069707021823
Energy: 2.5397703319453946
Energy: 2.6621696866535696
Energy: 2.3497507930561183
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Energy: 2.412756399820738
Energy: 2.4182919284138684
Energy: 2.643006882636875
Energy: 2.537968726081029
Energy: 2.525782068673718
Energy: 2.350707256719846
Energy: 2.557682786064325
Energy: 2.533960677703864
Energy: 2.3667185148933263
Energy: 2.5262148583559196
Energy: 2.6406936460917865
Energy: 2.523859641758764
Energy: 2.642445410647285
Energy: 2.6290167839656746
Energy: 2.634247064618509
Energy: 2.5216177819528025
Energy: 2.525882299925021
Energy: 2.5371567081049
Energy: 2.4217200243141783
Energy: 2.418045561435844
Energy: 2.4170383457253513
Energy: 2.5083761249668117
Energy: 2.5285611644501857
Energy: 2.5265682879903935
Energy: 2.314711869078553
Energy: 2.518103649483132
Energy: 2.6420491399235573
Energy: 2.6330031883913163
Energy: 2.6630726980971327
Energy: 2.446155672640971
Energy: 2.3536695645046035
Energy: 2.425937081204869
Energy: 2.4586714564636067
Energy: 2.3413192680089887
Energy: 2.355998558324764
Energy: 2.551542008623769
Energy: 2.525179420186184
Energy: 2.52720556548578
Energy: 2.670380981690144
Energy: 2.6633392472238504
Energy: 2.6413327371646425
Energy: 2.689518138832571

minimum gb energy = 2.294736274047817 eV
minimum distance =  2.51086714620349 Angstroms
sigma value = 33


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

Energy: 1.9924886077054444
Energy: 1.695294811721382
Energy: 1.6267526499232177
Energy: 1.8079318784783958
Energy: 1.7125638858139147
Energy: 1.507120887083384
Energy: 1.390481658160412
Energy: 2.4339210556513753
Energy: 1.5969855272376776
Energy: 1.7938255726975014
Energy: 2.0477307904932154
Energy: 1.6789989430074348
Energy: 1.680030165122387
Energy: 2.365221820917899
Energy: 2.36249326079845
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Energy: 1.9234646293776207
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Energy: 1.8869639075506026
Energy: 2.220202677881678
Energy: 1.8131942030769752
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Energy: 2.228511091073151
Energy: 1.873892141995796
Energy: 1.5878100546455751
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Energy: 1.980863235667648
Energy: 2.3635455985753944
Energy: 2.3648538668206602
Energy: 1.702267770960745
Energy: 1.6905821649412616
Energy: 1.6907661070466944
Energy: 1.6906728328334821
Energy: 1.6930011772603413
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Energy: 1.4952182500693874
Energy: 1.7595601747803915
Energy: 1.5549534066663309
Energy: 1.7065397540142238
Energy: 1.8692216415215055
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Energy: 1.6803701585605562
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Energy: 2.3646992657415913
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Energy: 1.6419561968666925
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Energy: 1.7091888007538092
Energy: 2.2759207828994286
Energy: 1.4850512865669794
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Energy: 1.4348120670141575
Energy: 1.632103691688728
Energy: 1.575921052088366
Energy: 1.9378435907212606
Energy: 1.7936452713567765

minimum gb energy = 1.2716269246585195 eV
minimum distance =  2.49442028254608 Angstroms
sigma value = 219


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

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Energy: 1.8221773084648727
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Energy: 1.782007539892411
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Energy: 1.7600203106091699
Energy: 1.6146517512934084
Energy: 1.6011904244664625
Energy: 1.7648266006082935
Energy: 1.7584917480860174

minimum gb energy = 1.583811971030885 eV
minimum distance =  2.58816492171658 Angstroms
sigma value = 15


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

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Energy: 2.768137535629226
Energy: 2.719988997307774
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Energy: 2.768970399315925
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Energy: 2.633930341575924
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minimum gb energy = 2.571022679325738 eV
minimum distance =  2.51975624563255 Angstroms
sigma value = 293


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

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Energy: 2.618227428661675
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Energy: 2.6044820913300515
Energy: 2.5482419900249185
Energy: 2.5954251135608146
Energy: 2.7274716672732366
Energy: 2.428530545345917
Energy: 2.6139176367121566
Energy: 2.6786283762892955
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Energy: 2.5821556943752673
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Energy: 2.60385681543756
Energy: 2.6165879653823816
Energy: 2.555280220811635
Energy: 2.5620910510677044
Energy: 2.8401804932141514
Energy: 2.5594478424703033
Energy: 2.545000258472873
Energy: 2.578218782641379
Energy: 2.5871028601787285
Energy: 2.527280398893456
Energy: 2.520411019720933
Energy: 2.6158393445320374
Energy: 2.693289229902125
Energy: 2.7060069076948787
Energy: 2.711245712283977
Energy: 2.713192915772762
Energy: 2.565153025794318
Energy: 2.6003194147819753
Energy: 2.5144710993861707
Energy: 2.5190474374629135
Energy: 2.6672114739659185
Energy: 2.5879464494317426
Energy: 2.419619033303671
Energy: 2.6404034983350293
Energy: 2.6242824004006207
Energy: 2.7709641230083215

minimum gb energy = 2.321036267004332 eV
minimum distance =  2.52668956826176 Angstroms
sigma value = 293


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

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Energy: 1.9893360245803127
Energy: 2.212164016298499
Energy: 2.2188237470756063
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Energy: 2.2439078916882447
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Energy: 2.190262773846815
Energy: 2.7520970767356188
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Energy: 1.9665548169093843
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Energy: 2.2727460759550935
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Energy: 2.2142674247814664
Energy: 2.216339087996487
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Energy: 2.0139735006972947
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Energy: 2.2169502799982115
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Energy: 2.192002834472522
Energy: 2.218749439013748
Energy: 1.982473630711361
Energy: 2.3178622500672215
Energy: 2.341341563063844
Energy: 2.0165337066363027
Energy: 2.019244691192191
Energy: 1.9610525321687562
Energy: 1.6565428784304743
Energy: 2.768127134862789
Energy: 1.9519418283929615
Energy: 2.3159898926108764
Energy: 1.7106167916992967
Energy: 1.9659069948054855
Energy: 2.0143934252904976
Energy: 1.9961577351833801
Energy: 2.3693929422566344
Energy: 2.2170992910059817
Energy: 1.6571095085148457
Energy: 1.990478122164427
Energy: 2.272509206450629
Energy: 1.9732969628279846
Energy: 2.2415341936767565
Energy: 2.18993709117413
Energy: 2.3211569689999356
Energy: 2.013071342424763
Energy: 2.0167109769710794
Energy: 1.9697719791689796
Energy: 2.1832832718728716
Energy: 2.267096494804183
Energy: 1.6472321129339105
Energy: 2.323475580114811
Energy: 2.272286652668508
Energy: 2.216440073775247
Energy: 1.9636959527349747
Energy: 1.998323398728717
Energy: 1.9946768935109616
Energy: 2.320124395768105
Energy: 2.194873871056853
Energy: 1.9886206094995267

minimum gb energy = 1.592602566562963 eV
minimum distance =  2.64962886537009 Angstroms
sigma value = 15


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

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Energy: 1.9332456355508028
Energy: 1.919444112407355
Energy: 1.9117866147158995
Energy: 1.9042089467836436
Energy: 0.9032745261293084
Energy: 0.9917066405528815
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Energy: 2.0810110685606977
Energy: 0.7801556881089874
Energy: 2.0685323673716467
Energy: 0.9519813302715043
Energy: 1.1554604231244032
Energy: 0.588241404976207
Energy: 0.9097228847638196
Energy: 1.9879826539826546
Energy: 1.7397062666114202
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Energy: 1.9756188918177582
Energy: 2.032843049259721
Energy: 2.0548068341586543
Energy: 0.19685793033585486
Energy: 0.6048843422247455
Energy: 2.0297411225467474
Energy: 1.9894936568349333
Energy: 2.012857148230055
Energy: 0.7297789073921043
Energy: 1.6991276547496859
Energy: 2.1916351021965594
Energy: 1.166668450007292
Energy: 0.30208105652115846
Energy: 2.0251343768686767
Energy: 1.030516817051586
Energy: 1.996521773668862
Energy: 2.003385998817553
Energy: 2.0387050254263324
Energy: 2.0858177479116775
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Energy: 0.7529788015103598
Energy: 1.057663414694935
Energy: 2.043003378874991
Energy: 2.0352712158098303
Energy: 1.029152781498401
Energy: 1.2183748629267914
Energy: 2.0338396966578665
Energy: 0.6815322385215548
Energy: 1.2637858626779315
Energy: 1.3839893300290742
Energy: 1.7736205447391007
Energy: 0.5235882218492497
Energy: 0.8721349734885349
Energy: 0.9928077387166967
Energy: 0.6049268166422916
Energy: 0.6595518870863922
Energy: 0.7345355191184864
Energy: 2.1425610058405
Energy: 2.0369452466956575
Energy: 2.0035600924468455
Energy: 0.6298842179624944
Energy: 1.9031911363513505
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Energy: 0.6898115817665701
Energy: 0.5761149679623075
Energy: 0.6171834137134652
Energy: 1.0214189453113454
Energy: 0.6639313016872231
Energy: 0.888333946831405
Energy: 0.7472865030369247
Energy: 0.799753382792812
Energy: 0.853304536455692
Energy: 0.8240067891440214
Energy: 1.3282898578880016
Energy: 1.0284172211776696
Energy: 0.6175924089476367
Energy: 1.1055591226980968
Energy: 0.756661874276555
Energy: 2.1494364793353236
Energy: 1.9826635847006775
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Energy: 0.6476925291135323
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Energy: 0.6318503298593203
Energy: 1.22481009945134
Energy: 0.8223442468065537
Energy: 0.7622736660009182
Energy: 0.9919512517220858
Energy: 1.2232750021174168
Energy: 1.8366176682175623
Energy: 1.8441121045704416
Energy: 0.6529525407512297
Energy: 1.77962375191025
Energy: 0.8307564074787094
Energy: 2.193680437417575
Energy: 0.9435550800463621
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Energy: 0.9735666213580902
Energy: 1.1945763215003478
Energy: 1.27092859877765
Energy: 2.152336169646717
Energy: 0.7814380676728564
Energy: 2.2156716661720908
Energy: 0.8797621461046187
Energy: 2.2080048773501026
Energy: 0.8251349997592093
Energy: 1.2615985984175453
Energy: 1.889026157610476
Energy: 0.7018097873038557
Energy: 0.8221088659338919
Energy: 0.8869323663576958
Energy: 0.7141546187371055
Energy: 1.9019783571249813
Energy: 1.1911430457247245
Energy: 2.188679001428217
Energy: 0.9725190584881036
Energy: 0.704770983479835
Energy: 0.6589607787106515
Energy: 0.7030356552461761
Energy: 1.1043161754783344
Energy: 2.0681777852693792
Energy: 0.5025193509360155
Energy: 1.1013565764892184
Energy: 1.8250040329146513
Energy: 1.0136736722312742
Energy: 1.3544055655054519
Energy: 0.9538205720828259
Energy: 1.8616950312172365
Energy: 1.8661813395306968
Energy: 1.8418708992594228
Energy: 0.661440609385358
Energy: 0.9842183021434991
Energy: 1.0153071693520508
Energy: 0.686434621646178
Energy: 1.822008209242231
Energy: 1.027134976992055
Energy: 1.8766367207538603
Energy: 1.8622726542556713
Energy: 0.9744493378501431
Energy: 1.9041135123387734
Energy: 0.6818138997493085
Energy: 1.3815367633889706
Energy: 0.5054018179656562
Energy: 0.6402605408516978
Energy: 1.8279326638850701
Energy: 1.1137952053380842
Energy: 1.8850086061758913
Energy: 0.9467185325396364
Energy: 1.0552423659872516
Energy: 1.831589624493306
Energy: 0.897213215646452
Energy: 0.5526361073455126
Energy: 0.31602830482882527
Energy: 0.49393060757754603
Energy: 1.8612170204173073
Energy: 0.8676632629532905
Energy: 1.0240805169318863
Energy: 0.8684193887231226
Energy: 0.6933299894645313
Energy: 0.9987325443542147
Energy: 1.856854149743793
Energy: 1.8647863809233396
Energy: 1.8205083706489176
Energy: 1.7930994292563875
Energy: 1.3110221062049716
Energy: 0.7360771104920739
Energy: 1.8826875682214528
Energy: 1.2199130599065624
Energy: 1.9181318061130064
Energy: 1.8956515879247897
Energy: 0.7216218128652788
Energy: 1.1512258485036704
Energy: 0.938058353101437
Energy: 0.9755508667893789
Energy: 0.8350182114020291
Energy: 0.48713682014423065
Energy: 1.874784144338677
Energy: 0.8704403440520083
Energy: 0.7472458609302286
Energy: 1.8967847698980809
Energy: 1.915924409279789
Energy: 1.1753010673952093
Energy: 0.7530822605073817
Energy: 0.553132658864395
Energy: 2.086126046371363
Energy: 0.8458617827776678
Energy: 1.357036823688944
Energy: 0.7768328254781366
Energy: 0.867204236622717
Energy: 1.0270762660551598
Energy: 0.7782423356454319
Energy: 0.9766484763554404
Energy: 1.1401048353680578
Energy: 1.2307527673853693
Energy: 1.694160489060187
Energy: 1.9340891998283647
Energy: 0.8712325677247963
Energy: 0.8109380428402166
Energy: 1.4513773093852336
Energy: 0.7270206204223713
Energy: 0.8283550990222028
Energy: 1.950792123127757
Energy: 1.9001527326930527
Energy: 2.1202491759274333
Energy: 0.6614896221325356
Energy: 0.7113530634046588
Energy: 2.3647299930123453
Energy: 1.1086817268495783
Energy: 0.8468760985602718
Energy: 0.9004060111070865
Energy: 0.6114714340211834
Energy: 0.9864439531505083
Energy: 1.8702730827492657
Energy: 0.928581972405259
Energy: 1.9048371284759946
Energy: 1.960593270951011
Energy: 0.9990797669279441
Energy: 0.47184871737259887
Energy: 0.98117457455337
Energy: 0.8444215820732828
Energy: 1.259494698695471
Energy: 0.7545593457931635
Energy: 1.949545762355129
Energy: 1.0438439932828083
Energy: 1.9250834780331678
Energy: 1.8047056514915474
Energy: 0.7474314165574473
Energy: 1.17447467425514
Energy: 0.7036476981298279
Energy: 1.05423510438028
Energy: 0.8784077120131665
Energy: 1.9133104043153213
Energy: 2.201651666411274
Energy: 2.013925525355501
Energy: 0.5893829826065535
Energy: 2.0789112024725984
Energy: 1.9305550544385148
Energy: 1.9092212183777038
Energy: 0.8019094333267023
Energy: 0.7678366695450829
Energy: 0.6283459179397853
Energy: 0.5173383437817723
Energy: 0.5797014929224363
Energy: 1.292269550330722
Energy: 0.7027097982378777
Energy: 1.244969001957633
Energy: 1.9374592570133715
Energy: 1.9309866816500394
Energy: 1.9319713029391892
Energy: 1.032938818153865
Energy: 1.914388743891283
Energy: 1.9532133722500309
Energy: 0.773869765681105
Energy: 1.109072191548578
Energy: 1.8375083239618997
Energy: 1.921547679831589
Energy: 1.901049927789395
Energy: 1.92744025614134
Energy: 1.890650500536201
Energy: 1.1415308340095947
Energy: 1.0852196590506606
Energy: 1.8827587798238858
Energy: 1.9249857355622146
Energy: 1.80252798342707

minimum gb energy = 0.19685793033585486 eV
minimum distance =  2.51540838024508 Angstroms
sigma value = 437


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

Energy: 2.1785977639041882
Energy: 1.9486041897550572
Energy: 1.9402387092484616
Energy: 1.9393854783947557
Energy: 1.9447126619882276
Energy: 2.450444211506119
Energy: 1.9620728991391065
Energy: 1.9727318989569746
Energy: 1.9427999465421066
Energy: 1.8805929099371486
Energy: 1.9662676100970442
Energy: 1.9323500623304808
Energy: 1.9645378105147564
Energy: 1.9748702363674993
Energy: 1.9340678744201474
Energy: 1.9507477211800428
Energy: 1.9574189012283
Energy: 1.9474532222255836
Energy: 2.288411599374995
Energy: 1.9643708039799521
Energy: 1.954696367673266
Energy: 1.9307618850925354
Energy: 1.9692689989484162
Energy: 1.9648930175561579
Energy: 1.9301603533489184
Energy: 1.9525280713150057
Energy: 1.9461397920169679
Energy: 1.934495849191662
Energy: 1.9391522932113614
Energy: 1.9631183627292887
Energy: 1.9656142458224315
Energy: 1.9331813573985066
Energy: 1.8350133967333855
Energy: 2.2961029615067763
Energy: 1.9383627883192494
Energy: 1.9711327879665057
Energy: 1.9416239206210275
Energy: 2.0775200569080163
Energy: 1.6856183543694045
Energy: 1.826846681954387
Energy: 1.944174715086692
Energy: 2.152034065970363
Energy: 1.7462366551729436
Energy: 2.084300769186796
Energy: 2.0789475432450617
Energy: 1.9640295378392147
Energy: 1.958115793072865
Energy: 1.9633602015212812
Energy: 1.9663423562553182
Energy: 1.930594520986082
Energy: 1.9399489026916161
Energy: 1.9777881506452686
Energy: 1.9295673779855294
Energy: 1.9714232590726581
Energy: 1.9472299816659673
Energy: 1.9533059793581782
Energy: 1.9654065435726569
Energy: 1.9707393519364067
Energy: 1.9577603466058813
Energy: 1.9303961305495825
Energy: 2.1341125264452385
Energy: 2.3020877057545555
Energy: 1.934085864694464
Energy: 1.93727761332607
Energy: 1.9685802124092466
Energy: 1.9692469547630715
Energy: 2.084739415198133
Energy: 1.939124704664657
Energy: 1.9648496560938884
Energy: 1.9330825608694544
Energy: 2.1347680671531895
Energy: 2.0830400054961036
Energy: 2.081120977927576
Energy: 1.9361162132568397
Energy: 2.3293045179257716
Energy: 2.4729610165019857
Energy: 1.9648681133305008
Energy: 1.9416769228318722
Energy: 2.293516678686356
Energy: 2.584281650625706
Energy: 2.358501022145905
Energy: 1.931525970457982
Energy: 2.3191223515678248
Energy: 1.967496225686591
Energy: 1.9324200862413816
Energy: 1.9503735318236695
Energy: 1.9483075716173346
Energy: 1.9336228690882848
Energy: 1.9330460101648008
Energy: 1.9756533828671274
Energy: 1.9650262393337412
Energy: 1.9310838434627347
Energy: 1.9760641724523416
Energy: 1.9431417253364107
Energy: 1.9326115356877043
Energy: 1.9558353891704126
Energy: 1.94572934710767
Energy: 1.9379718884036596
Energy: 1.875517156274155
Energy: 2.323227137785785
Energy: 1.9521886764970124
Energy: 1.781059888860418
Energy: 1.7178172451784568
Energy: 1.9522483768367354
Energy: 1.9375336790357596
Energy: 1.9723862716910838
Energy: 1.9534362604659443
Energy: 1.9624807240523225
Energy: 1.8554658567622213
Energy: 1.9351254447606605
Energy: 1.94026049751913
Energy: 1.9570855312414002
Energy: 1.7621605190986493
Energy: 1.9703840356870084
Energy: 1.9500922599250168
Energy: 1.951891004942471
Energy: 1.9679197645760471
Energy: 1.96236283070256
Energy: 1.9584689787798637
Energy: 1.9299881194591608
Energy: 2.3038109076864064
Energy: 1.975062570875666
Energy: 1.930686492042597
Energy: 1.9686590573835425
Energy: 1.9643054305192118
Energy: 1.9515040566832074
Energy: 1.9661364650237874
Energy: 1.967044266252272
Energy: 1.9616600477810344
Energy: 1.9303596505344005
Energy: 2.136511596867012
Energy: 1.9381498519657936
Energy: 1.937183384113039
Energy: 1.9400972615696441
Energy: 1.9604839168620634
Energy: 2.319981705643461
Energy: 1.9402717370848022
Energy: 1.9713261243066085
Energy: 2.079304259164833
Energy: 1.8569967995315544

minimum gb energy = 1.6856183543694045 eV
minimum distance =  2.60457620499468 Angstroms
sigma value = 33