Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.24243287157552
mass=55.845
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=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.0233378980017797e-19, 4.40391893564214e-19, 4.7321889061823995e-19, 5.01901056720108e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.018552585710438184
Energy: 0.10885183179309392
Energy: 0.11136270862956196
Energy: 0.11072862235821043
Energy: 0.023203727471379127
Energy: 0.019906052942581024
Energy: 0.10809819413631755
Energy: 0.11217365547113989
Energy: 0.10991627240152613
Energy: 0.02250434403880466
Energy: 0.10862726074420419
Energy: 0.11608213131447256
Energy: 0.11035396055389461
Energy: 0.11319817555420374
Energy: 0.11179255018318607
Energy: 0.10906125387688181
Energy: 0.11557374809538193
Energy: 0.10805876140784008
Energy: 0.11367493111518706
Energy: 0.11089927930479315
Energy: 0.11094401199653033
Energy: 0.025384347497105424
Energy: 0.019038728071069117
Energy: 0.10885732893676908
Energy: 0.11016212015134974
Energy: 0.11019181114815566
Energy: 0.024311634144215773
Energy: 0.01898720988125503
Energy: 0.10882550162071679
Energy: 0.11127174656750714
Energy: 0.11173979380174114
Energy: 0.02033984380950568
Energy: 0.020012833046618966
Energy: 0.11417067722390054
Energy: 0.10925601045283953
Energy: 0.11077876048354655
Energy: 0.020115931287411324
Energy: 0.01948154447504573
Energy: 0.11236445338844941
Energy: 0.1091694880537689
Energy: 0.11126244156205597
Energy: 0.109985320961505
Energy: 0.11227273004568274
Energy: 0.026263005219821736
Energy: 0.019948217407804544
Energy: 0.11042953820721735
Energy: 0.11018419379416396
Energy: 0.11170857440949258
Energy: 0.02491042863934554
Energy: 0.11452637708264946
Energy: 0.11179861578274485
Energy: 0.10892105319561517
Energy: 0.10990698769548042
Energy: 0.01950867111438107
Energy: 0.02785159893637447
Energy: 0.11291940110564622
Energy: 0.10805531127991443
Energy: 0.11026730643530121
Energy: 0.020083880389719127
Energy: 0.019625892269748212
Energy: 0.028465084867085398
Energy: 0.11275035592122978
Energy: 0.11146026553538291
Energy: 0.10860687331932548
Energy: 0.114019180718036
Energy: 0.026896053157300353
Energy: 0.11406057129049314
Energy: 0.1110038754086563
Energy: 0.1092617004155484
Energy: 0.11310238699356928

minimum gb energy = 0.018552585710438184 eV
minimum distance =  2.51020223316773 Angstroms
sigma value = 3


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

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Energy: -0.13791689163495394
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Energy: 0.7470967920492123
Energy: -0.931067506668329
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Energy: 0.6447411019818804
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Energy: 0.02279561707799995
Energy: 0.8275673914583727
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Energy: 0.06100444043819472
Energy: -0.2688840964203829
Energy: 0.6132760512454594
Energy: -0.5189435440970636
Energy: -0.24398538209581883
Energy: 0.3537126916683735
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Energy: 0.8553841234556072
Energy: -0.6364763687324109
Energy: -0.28255657000764595
Energy: -0.28883127190905034
Energy: 0.5819053219858183
Energy: -0.9289644656169114
Energy: 0.042224660021756434
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Energy: -0.1909701932862755
Energy: -0.9306796975910828
Energy: 0.09842382581926747
Energy: 0.8269066458626239
Energy: 0.8160780663169673
Energy: -0.013118433060499556
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Energy: -0.01608037813739574
Energy: -0.020634547789671987
Energy: 0.5120654531143772
Energy: -0.7122156051559316

minimum gb energy = -1.2251496647072375 eV
minimum distance =  2.2604602862683 Angstroms
sigma value = 75


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

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Energy: 0.842381482574635
Energy: 0.8333897468822232
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minimum gb energy = -0.1279172271105329 eV
minimum distance =  2.2397037988089 Angstroms
sigma value = 105


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

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Energy: 0.8982254183098264
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Energy: 0.8263078167907106
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Energy: 0.8976334370833595
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Energy: 0.8648484925944526
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Energy: 0.9270901473539913
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Energy: 0.9062896301290582
Energy: 0.8333336852112834
Energy: 0.8545302406536569
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Energy: 0.9157791454630687
Energy: 0.8416475898952573
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Energy: 0.9024377617104211
Energy: 0.8790679771636103
Energy: 0.8638798597382271
Energy: 0.7774073695692677
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Energy: 0.7069895597520527
Energy: 0.8627506668708067
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Energy: 0.9155931042627087
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Energy: 0.8331351067561826
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Energy: 0.8890858278733431
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Energy: 0.7337543512486469
Energy: 0.8932479321501949
Energy: 0.8741882995189064
Energy: 0.7889240567022394
Energy: 0.7802967666591095
Energy: 0.7290056393356893
Energy: 0.8900916449675995
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Energy: 0.7849941580223114
Energy: 0.7895199635982322
Energy: 0.7304839978190688
Energy: 0.8899815254474703
Energy: 0.8595929224532461
Energy: 0.881082814000753
Energy: 0.7953363738240022
Energy: 0.7878860057957524
Energy: 0.8933602925411387
Energy: 0.8163905878988288
Energy: 0.8459129042358762
Energy: 0.28614371891571355
Energy: 0.7893610074391517
Energy: 0.9323370100259802
Energy: 0.8839841435082711
Energy: 0.8454472822334708
Energy: 0.8507828102949271
Energy: 0.7665615829903771
Energy: 0.844205079971954
Energy: 0.838368460796582
Energy: 0.828915738816552
Energy: 0.825827962619072
Energy: 0.8188857433861331
Energy: 0.9582484270433753
Energy: 0.8041489226168584
Energy: 0.7811326322856194
Energy: 0.8232532412719764
Energy: 0.8092926658188341
Energy: 0.8756369660669419
Energy: 0.7704621931324289
Energy: 0.8111133273094442
Energy: 0.8191524242244377
Energy: 0.787147304285147
Energy: 0.782641804519075
Energy: 0.7927607333755977
Energy: 0.7315059998484387
Energy: 0.8463206590309459
Energy: 0.7954862204098637
Energy: 0.7764403339716393
Energy: 0.7708473950993184
Energy: 0.7290475943389928
Energy: 0.8714628849508995
Energy: 0.8960904735587083
Energy: 0.7418313941503082
Energy: 0.8847005301600284
Energy: 0.8809411827534265
Energy: 0.8222207182675623
Energy: 0.8399124969152008
Energy: 0.8448850062084762
Energy: 0.8705407755636155
Energy: 0.8798003155793694
Energy: 0.8741312111981754
Energy: 0.8470343039859298
Energy: 0.8381576223612909
Energy: 0.8637506299502812
Energy: 0.8337323631448708
Energy: 0.6865322863990295
Energy: 0.679645518332529
Energy: 0.7949482314034956
Energy: 0.8237639813386787
Energy: 0.8742442389326802
Energy: 0.6814299637841563
Energy: 0.7861255551360918
Energy: 0.8609602469171864
Energy: 0.8439281264819192
Energy: 0.6798763344481537
Energy: 0.6814350372540188
Energy: 0.6861865873676362
Energy: 0.6787158970202611
Energy: 0.9615128623953951
Energy: 0.6789802690397101
Energy: 0.6802898220163437
Energy: 0.6804826843685559
Energy: 0.784086687833343

minimum gb energy = 0.11459662024383398 eV
minimum distance =  2.24072346733389 Angstroms
sigma value = 165


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

Energy: 1.3775858195417863
Energy: 0.8189146059711748
Energy: 0.8289664549255398
Energy: 0.8191192140884948
Energy: 0.8052308047886708
Energy: 0.8571836519447341
Energy: 0.8186463084129976
Energy: 0.8285571488820214
Energy: 0.8189482177717777
Energy: 0.805726536193892
Energy: 0.8158442814767876
Energy: 0.8175604498386272
Energy: 0.8192925744430142
Energy: 0.8770033411528773
Energy: 0.8162337685290528
Energy: 0.8159600590127503
Energy: 0.8177632283018855
Energy: 0.8194453449943867
Energy: 0.8757089930649495
Energy: 0.816642889676981
Energy: 0.8072568004856081
Energy: 0.8768409049638731
Energy: 0.8538789731569164
Energy: 0.8080698374933524
Energy: 0.8063272240997329
Energy: 0.8063032328545251
Energy: 0.803528449257808
Energy: 0.8057200072828108
Energy: 0.8095069180487986
Energy: 0.8067996399183571
Energy: 0.8466415860724766
Energy: 0.8150389133953981
Energy: 0.8058841529267982
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Energy: 0.8165544942318365
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Energy: 0.8210361489330859
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Energy: 0.8219535354761172
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Energy: 0.8113990122175744
Energy: 0.8130260847332738
Energy: 0.8196994994978481
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Energy: 0.8531488309434155
Energy: 0.8550131517174208
Energy: 0.8047699626053907
Energy: 0.8062808705346546
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Energy: 0.8185081419950472
Energy: 0.8161499080334897
Energy: 0.8266389697966698
Energy: 0.8172110789796987
Energy: 0.8164845485339522
Energy: 0.8190101567922164
Energy: 0.8045894078129728
Energy: 0.8640260927846904
Energy: 0.8058278986458898
Energy: 0.8211806846131332
Energy: 0.8062415332236175
Energy: 0.8176500913983992
Energy: 0.8625277399560928
Energy: 0.8052427882644855
Energy: 0.8217745461576847
Energy: 0.806026814756455
Energy: 0.8178844526060806
Energy: 0.8094520451336777
Energy: 0.8067221075286429
Energy: 0.805444062908422
Energy: 0.8493875926926784
Energy: 0.8052604932824378
Energy: 0.8072959180480912
Energy: 0.8085108252966767
Energy: 0.8049963842027896
Energy: 0.8479975268465905
Energy: 0.8063868745034142
Energy: 0.8075300671564343
Energy: 0.8201770268577686
Energy: 0.8045405769366039
Energy: 0.8763025122265368
Energy: 0.8187104290259772
Energy: 0.8078197829169552
Energy: 0.8194209001032103
Energy: 0.8043972211754196
Energy: 0.8751442583430358
Energy: 0.8538960580163855
Energy: 0.8528737686561781
Energy: 0.8548366362300485
Energy: 0.8192609569064683
Energy: 0.8192383257044794
Energy: 0.8287432024659215
Energy: 0.848010946027715
Energy: 0.8313525956140483
Energy: 0.81833630890995
Energy: 0.818159690476939
Energy: 0.8289756368575423
Energy: 0.8480506729675752
Energy: 0.8260132195997861
Energy: 0.8167613832201943
Energy: 0.8243484473434259
Energy: 0.8625127591328452
Energy: 0.8998819445660613
Energy: 0.8254929807391638
Energy: 0.818581080618811
Energy: 0.8235296815138224
Energy: 0.8625810784932526
Energy: 0.8099556033997273
Energy: 0.8686163520867171
Energy: 0.8193714269504117
Energy: 0.8180254221689639
Energy: 0.8179112216279341
Energy: 0.8108538438586931
Energy: 0.8691741807934226
Energy: 0.8196573875470546
Energy: 0.8186375304650371
Energy: 0.8191267670573632

minimum gb energy = 0.803528449257808 eV
minimum distance =  2.29062163562063 Angstroms
sigma value = 41


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

Energy: 1.0397042941951946
Energy: 0.6520148538027756
Energy: 0.718669081233839
Energy: 0.6578540875478839
Energy: 0.6516322396353085
Energy: 0.7078473077390054
Energy: 0.6528887959785173
Energy: 0.7334332532944986
Energy: 0.7306486530521171
Energy: 0.7523456090396244
Energy: 0.7202000915033967
Energy: 0.7391812605600868
Energy: 0.7440205734303879
Energy: 0.708651914464689
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Energy: 0.65705655415008
Energy: 0.7322493036641647
Energy: 0.7602364836119377
Energy: 0.7950436996457997
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Energy: 0.7950840050693525
Energy: 0.6952535390914589
Energy: 0.6821716037704655
Energy: 0.7411788406584087
Energy: 0.7277235323584661
Energy: 0.7072597413564308
Energy: 0.7759680607806956
Energy: 0.7109949608507491
Energy: 0.7512879884867293
Energy: 0.7448665273454705
Energy: 0.7003240000852665
Energy: 0.8185552977228532
Energy: 0.7130046442106219
Energy: 0.8812304348411572
Energy: 0.7662323329930265
Energy: 0.7344398342373405
Energy: 0.6941262443169296
Energy: 0.7561811360814399
Energy: 0.8009601065444217
Energy: 0.7260446415260425
Energy: 0.7550604245276233
Energy: 0.7311293720128225
Energy: 0.7338039674383356
Energy: 0.7049195303241083
Energy: 0.7212877474039558
Energy: 0.6946073662153234
Energy: 0.80015275451683
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Energy: 0.7585489301448548
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Energy: 0.7467436525472387
Energy: 0.8238037698532019
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Energy: 0.7470367365363241
Energy: 0.7254891964532144
Energy: 0.7090867591179013
Energy: 0.8245230227930939
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Energy: 0.7180347613559622
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Energy: 0.753251595187323
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Energy: 0.6441563551001578
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Energy: 0.7095608153975813
Energy: 0.7563130322116534
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Energy: 0.7584901394302674
Energy: 0.7455084444570709
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Energy: 0.6702037023884865
Energy: 0.6249228057812022
Energy: 0.6766585945951132
Energy: 0.7497283744808386
Energy: 0.6514841462074786
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Energy: 0.7437058059631174
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Energy: 0.7232487228664946
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Energy: 0.6569284021424344
Energy: 0.7171562038877276
Energy: 0.7092767570735504
Energy: 0.657049937677121
Energy: 0.7334025899107707
Energy: 0.6510909707303832
Energy: 0.7863947748084122
Energy: 0.7502788112047037
Energy: 0.7290491171893352
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Energy: 0.6558836170537524
Energy: 0.7477200718325214
Energy: 0.6834582273322508
Energy: 0.6520807241127595
Energy: 0.7608797429893647
Energy: 0.7068060833991616
Energy: 0.8036580625304619
Energy: 0.8200970733949677
Energy: 0.653146681236013
Energy: 0.7554144961929419
Energy: 0.7057139270075573
Energy: 0.7368138491517008
Energy: 0.704593456226562
Energy: 0.7756692684524464
Energy: 0.7918944105322421
Energy: 0.7416440250267627
Energy: 0.7890321413376129
Energy: 0.7979831692309542
Energy: 0.7550249607434372
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Energy: 0.7485417682371633
Energy: 0.7886372270306268
Energy: 0.7331939069565142
Energy: 0.7132112682000609
Energy: 0.6929329924089807
Energy: 0.7421464197980697
Energy: 0.7460007345624018
Energy: 0.7452400533674709
Energy: 0.8206674067412354
Energy: 0.8207638904318085
Energy: 0.7429547268920137
Energy: 0.7545441562433687
Energy: 0.7523078222505134
Energy: 0.7976036481958232
Energy: 0.8033584041499396
Energy: 0.9258685646182693
Energy: 0.747709662937958
Energy: 0.7464050121105971
Energy: 0.7375564792383876
Energy: 0.7866057553399871
Energy: 0.7181632266145265
Energy: 0.7083879125026938
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Energy: 0.7078908694325132
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Energy: 0.6522313170019798
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Energy: 0.7626529127434846
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Energy: 0.7465085650796612
Energy: 0.7246659366360251
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Energy: 0.8012706180308269
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Energy: 0.7531188742857997
Energy: 0.68461660449197
Energy: 0.723852017784055
Energy: 0.714638581111274
Energy: 0.7895224074350894
Energy: 0.7584273306336109
Energy: 0.7308747830410478
Energy: 0.6874154717547843
Energy: 0.7836850530684771
Energy: 0.7460415024848526
Energy: 0.764913648530285
Energy: 0.7588895977010884
Energy: 0.6530589650625785
Energy: 0.7756118068792196
Energy: 0.6913882769479742
Energy: 0.7590887410897955
Energy: 0.7638161181886706
Energy: 0.7135771641319478
Energy: 0.7352453691014146
Energy: 0.7368331276086608
Energy: 0.6311759787117638
Energy: 0.7211064743047096
Energy: 0.7135443848963505
Energy: 0.7343306487156458
Energy: 0.6853594860955095
Energy: 0.7588382812025393
Energy: 0.7392437998699244
Energy: 0.7841232296009698
Energy: 0.7474963830364061
Energy: 0.7373904532818505
Energy: 0.7154869757548642
Energy: 0.6403037978049202
Energy: 0.7060113592261308
Energy: 0.7062370945585625
Energy: 0.7301325803129854
Energy: 0.6285988537107207
Energy: 0.7703748823601614
Energy: 0.7415130197959853
Energy: 0.6517207680219335
Energy: 0.7294723024363388
Energy: 0.7319500827322459
Energy: 0.6502873306172974
Energy: 0.7149274503111912
Energy: 0.6608147088694343
Energy: 0.7452237371770108
Energy: 0.7449664404644831
Energy: 0.7096796347276777

minimum gb energy = 0.6249228057812022 eV
minimum distance =  2.27620003646123 Angstroms
sigma value = 185


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

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Energy: 0.4049023316106556
Energy: 0.4906801324030712
Energy: 0.4759615434760764
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Energy: 0.4362421158840175
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Energy: 0.42238359753666804
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Energy: 0.5042007716408147
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Energy: 0.4358872298275282
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Energy: 0.4348900606181625
Energy: 0.47316882303804014
Energy: 0.5001625985202787
Energy: 0.46928368376546375
Energy: 0.47837033422653624
Energy: 0.4242358760642422
Energy: 0.5149442091461205
Energy: 0.500886506309585
Energy: 0.460990091582682
Energy: 0.4397108808811239
Energy: 0.43472904312678795
Energy: 0.5672170910070767
Energy: 0.447695215257153
Energy: 0.41933378705659685
Energy: 0.431383215609446
Energy: 0.4259204569190714
Energy: 0.49763775046810754
Energy: 0.6375606837857634
Energy: 0.5510854943343437
Energy: 0.4929531799177824
Energy: 0.47969929475152967
Energy: 0.49496234932063493
Energy: 0.4811161740375704
Energy: 0.4296169273449832
Energy: 0.4148992771648297
Energy: 0.4897708874333624
Energy: 0.5251490248887292
Energy: 0.7251731961786249
Energy: 0.48163439046216827
Energy: 0.6618532652919812
Energy: 0.40401391113168217
Energy: 0.643350226461333
Energy: 0.6103734023512982
Energy: 0.5497914988351323
Energy: 0.3692129530660199
Energy: 0.480654608020079
Energy: 0.6194203803871081
Energy: 0.5397743164006008
Energy: 0.373218732208879

minimum gb energy = 0.2402907203850207 eV
minimum distance =  2.31724079908654 Angstroms
sigma value = 33


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

Energy: 0.631780620260986
Energy: 0.6248359995529122
Energy: 0.6096747261796278
Energy: 0.5933702135974372
Energy: 0.5989611204428192
Energy: 0.5965986212687245
Energy: 0.6199550293621254
Energy: 0.6099156014815083
Energy: 0.6190882044958564
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Energy: 0.6919006095517619
Energy: 0.6100549342785635
Energy: 0.643620345674228
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Energy: 0.662218303102468
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Energy: 0.676700968706151
Energy: 0.6079717593725161
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Energy: 0.6176773522771831
Energy: 0.6566207048523068
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Energy: 0.7989247346901582
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Energy: 0.639747321583074
Energy: 0.6229564442781118
Energy: 0.6346091375248073
Energy: 0.6650222090300691
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Energy: 0.6333740303184318
Energy: 0.6342324847786164
Energy: 0.6364955095986391
Energy: 0.6387068690532774
Energy: 0.6319341944161471
Energy: 0.6259793871962517
Energy: 0.6314054280750551
Energy: 0.618667415898139
Energy: 0.6948817544392457
Energy: 0.6324603421065623
Energy: 0.6273240191096231
Energy: 0.6339953592254681
Energy: 0.6275033646973208
Energy: 0.6866282196510733
Energy: 0.5771182686362726
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Energy: 0.6041263433126439
Energy: 0.5942502007152178
Energy: 0.5775970074338123
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Energy: 0.6124021148959813
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Energy: 0.6163573331890507
Energy: 0.6058240278471435
Energy: 0.6063778482036458
Energy: 0.630682747461268
Energy: 0.6120983935323578
Energy: 0.5882119885015462
Energy: 0.6000573804831862
Energy: 0.6000344352333701
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Energy: 0.6083122709037477
Energy: 0.5851295657474183
Energy: 0.6071701795949331

minimum gb energy = 0.5211078522718031 eV
minimum distance =  2.31412155985726 Angstroms
sigma value = 219


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

Energy: 0.9431909591126905
Energy: 0.8838284574442663
Energy: 0.868592859020353
Energy: 0.8675457836174951
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Energy: 0.8859498263366056
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Energy: 0.856625665778204
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Energy: 0.8386349299715465
Energy: 0.8659233419966218
Energy: 0.8740174015918302
Energy: 0.8569955312451242
Energy: 0.8667157216756806
Energy: 0.8915641896624295
Energy: 0.8601416898170744
Energy: 0.8424898836179648
Energy: 0.8577964237762463
Energy: 0.8666070651675528
Energy: 0.8926387154836414
Energy: 0.907412184466338
Energy: 0.8753727259282718
Energy: 0.8572618507149279
Energy: 0.8462637731466883
Energy: 0.8667538968693669
Energy: 0.8655632687690094
Energy: 0.865688272872409
Energy: 0.8806710491912139
Energy: 0.8484399136126324
Energy: 0.8665006669882318
Energy: 0.8658579948131424
Energy: 0.8828856733732849
Energy: 0.8814407943035276

minimum gb energy = 0.8294290952394335 eV
minimum distance =  2.32713484558535 Angstroms
sigma value = 15


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

Energy: 1.007446060291893
Energy: 1.0203094036731795
Energy: 1.060632325248538
Energy: 1.054292834537188
Energy: 0.8622820668162987
Energy: 1.0639112194301912
Energy: 1.0192034361589988
Energy: 1.0608758151862527
Energy: 1.077179914823196
Energy: 0.9327740335371753
Energy: 1.0722526808698671
Energy: 0.9920300793707958
Energy: 1.0148865081392155
Energy: 1.0153446197579783
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Energy: 1.0726850276010533
Energy: 0.9913248351485634
Energy: 1.078369707041911
Energy: 1.0200639628300463
Energy: 0.9950922446192649
Energy: 1.0884878689730126
Energy: 1.0038999726990097
Energy: 1.0009492795201542
Energy: 1.0803848866750345
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minimum gb energy = 0.8540708846496511 eV
minimum distance =  2.32653709803475 Angstroms
sigma value = 293


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

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Energy: 1.0015651815384217
Energy: 0.9646929419651452
Energy: 0.8552166708034271
Energy: 0.8548309121337427
Energy: 0.9724689332702776
Energy: 1.001350526441088
Energy: 0.9674287856699416
Energy: 0.981047591909277
Energy: 1.0112563956910177
Energy: 1.1358411538897235
Energy: 0.9835247499052246
Energy: 0.9739195563044141
Energy: 0.9825590533227362
Energy: 1.1361191237534007
Energy: 1.1357997600154612
Energy: 0.9832110639688536
Energy: 1.0944436414804781
Energy: 0.8377563106511839
Energy: 0.9741052588149154
Energy: 0.9760328751640828
Energy: 0.9710549253789745
Energy: 0.9665450816904514
Energy: 0.856525657608158
Energy: 0.9728552331274162
Energy: 0.9817235729554351
Energy: 0.9687013002546808
Energy: 0.9689467420525351
Energy: 1.069005880267375
Energy: 0.9962489831552598
Energy: 1.0335250993257799
Energy: 0.9578661933258222
Energy: 1.1045396767402633
Energy: 1.070539867714811
Energy: 0.9284745678729187
Energy: 0.9729737142296297
Energy: 0.9554653314275431
Energy: 0.9610243155666183
Energy: 1.0038031898611213
Energy: 0.9704977141680662
Energy: 0.9574363118000673
Energy: 0.9791070147019165
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Energy: 1.1802025183636222
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Energy: 1.0626518959807516
Energy: 1.0719262424543692
Energy: 1.0469613332402774
Energy: 1.1717444416165435
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Energy: 1.0715822475144121
Energy: 1.0494272551365045
Energy: 1.1712829558950497
Energy: 0.9722051592779762
Energy: 0.9684105935925049
Energy: 0.9596425482539194
Energy: 0.957758241621127
Energy: 1.1252917281997803
Energy: 0.9611277755284816
Energy: 0.9689186013346494
Energy: 0.9675730833266819
Energy: 0.9571133310969611
Energy: 1.1255297203411363
Energy: 0.9692454988495146
Energy: 0.9716999520612734
Energy: 0.9722503494174839
Energy: 0.9568908653601395
Energy: 0.9545471831793306
Energy: 0.8635023780548816
Energy: 0.9706637041725911
Energy: 0.9724150305455408
Energy: 0.9569357575389249
Energy: 0.9556537506374393
Energy: 0.8636585315460413
Energy: 0.9702564271106371
Energy: 1.0021093362458133
Energy: 0.9731072346579777
Energy: 1.1743366154995547
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Energy: 0.9698571595287924
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Energy: 0.9729320049439826
Energy: 1.0054932307931566
Energy: 0.9740136167758427
Energy: 0.9728306626640507
Energy: 1.002760994087678
Energy: 1.178883350512545
Energy: 1.0034099051237964
Energy: 0.9731028256771281
Energy: 0.9740629428918754
Energy: 1.0035933448095968
Energy: 1.1775341954467888
Energy: 1.0502860328473818
Energy: 0.9681524521518291
Energy: 1.0676983677462557
Energy: 0.8551481017881876
Energy: 0.9765222735160354
Energy: 1.109191614754398
Energy: 0.9652523127782666
Energy: 1.0726512923325597
Energy: 1.0699934296500933
Energy: 0.9750581099162304
Energy: 0.9785121790400012
Energy: 0.95776257202169
Energy: 1.0695664077942246
Energy: 1.069794631387891
Energy: 0.9611533692906064
Energy: 0.9763792317896686
Energy: 0.9583203601851642
Energy: 1.0698206540109843
Energy: 1.0692953368689535
Energy: 1.0314526265413395
Energy: 1.1239690696861373
Energy: 0.9588859635878902
Energy: 0.9696175580037716
Energy: 1.0621786549186847
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Energy: 1.1238965755582353
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Energy: 0.9699313572151622
Energy: 0.960293739524479
Energy: 0.9686371835425205
Energy: 0.9700171695351361
Energy: 1.1305755950008534
Energy: 0.98270033275495
Energy: 1.0627015266994093
Energy: 0.9688108761128961
Energy: 1.0042349162184012
Energy: 1.1306630285689296
Energy: 0.9833253186507862
Energy: 1.0630431267461604
Energy: 0.968686625036587
Energy: 1.0690078439188544
Energy: 1.0622176623170967
Energy: 1.0590515651172367
Energy: 1.1961087766173466
Energy: 1.0102329971340038
Energy: 1.0677301047764975
Energy: 0.956395827302534
Energy: 1.0590383566080326
Energy: 1.1960754459505396
Energy: 1.0692529628792202
Energy: 1.126220304735208
Energy: 0.9557480823364947
Energy: 0.9579125712382753
Energy: 1.063639538736745
Energy: 1.073056088871097
Energy: 1.1954051528194503
Energy: 0.9554411723777554
Energy: 0.9572244932456394
Energy: 1.0640836607703104
Energy: 1.0741479994685101
Energy: 0.9586953647650496
Energy: 1.1248496679576474
Energy: 0.9681842447064368
Energy: 0.9734349231997607
Energy: 0.969782893802553
Energy: 0.9583435233204
Energy: 1.1247771090785688
Energy: 0.9682274946653661
Energy: 1.0026069693060138
Energy: 0.9695950950851044
Energy: 0.956707959327855
Energy: 0.9734281505735876
Energy: 0.9602276420849729
Energy: 0.9724805403904045
Energy: 0.9706517475719274
Energy: 0.9559743009679906
Energy: 0.9730934148270071
Energy: 0.9577433719838332
Energy: 0.9718043079042157
Energy: 0.9717842514397332
Energy: 0.9734085290430308
Energy: 1.1739544681006084
Energy: 0.974209340112183
Energy: 0.9686879483800502
Energy: 0.9730404085813268
Energy: 0.8549599588229677
Energy: 1.1754602571110728
Energy: 0.973924979450393
Energy: 0.9574401858845785
Energy: 0.9759381232786062
Energy: 0.9811727397238618
Energy: 1.1550694040666756
Energy: 1.151389468807825
Energy: 0.9816500328125345
Energy: 0.9733427171175922
Energy: 0.9809290069833725
Energy: 1.156142713832499
Energy: 1.1376315989372854
Energy: 0.9833861937535703
Energy: 0.9734486066051825
Energy: 1.072359648966821
Energy: 0.9574381630665808
Energy: 0.9804703021449337
Energy: 1.1351958118981604
Energy: 0.9644278239436659
Energy: 1.091909633760234
Energy: 0.958894791737975
Energy: 0.9807548227680583
Energy: 1.1351472840823364
Energy: 1.0671608821326393

minimum gb energy = 0.8377563106511839 eV
minimum distance =  2.31454414157429 Angstroms
sigma value = 293


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

Energy: 1.1992052641082604
Energy: 1.09127926865507
Energy: 1.1666702765731358
Energy: 1.0916292657009117
Energy: 1.0873313284503043
Energy: 1.199143008151219
Energy: 1.0907569449935437
Energy: 1.1671895554571052
Energy: 1.090946814784814
Energy: 1.0882688464601202
Energy: 1.1674654733002234
Energy: 1.0917829119601983
Energy: 1.0912436152808374
Energy: 1.0909374040948256
Energy: 1.0897265400619118
Energy: 1.1683549979275476
Energy: 1.0925083297388083
Energy: 1.087379351702676
Energy: 1.091423832334909
Energy: 1.0899406461845151
Energy: 1.0907801175690293
Energy: 1.0920282598179172
Energy: 1.0909768608022403
Energy: 1.0917759948954568
Energy: 1.1686460749747196
Energy: 1.090158174004528
Energy: 1.0916143508610905
Energy: 1.0919954606258662
Energy: 1.1687586775665464
Energy: 1.168617145146724
Energy: 1.1680546050333913
Energy: 1.0881817514104726
Energy: 1.0879680278962272
Energy: 1.0898087522100388
Energy: 1.1687187285948928
Energy: 1.1675559896297025
Energy: 1.0870857030671988
Energy: 1.0874427965533568
Energy: 1.0902421069756925
Energy: 1.147603617047515
Energy: 1.0906496777680956
Energy: 1.0893798838644395
Energy: 1.088720381772212
Energy: 1.0926899298516095
Energy: 1.0924084938277971
Energy: 1.0901538981117311
Energy: 1.090148023418782
Energy: 1.085785529036479
Energy: 1.0922572745286665
Energy: 1.091534110138583
Energy: 1.091480966583727
Energy: 1.167839035005142
Energy: 1.0901713634061736
Energy: 1.0930235035767546
Energy: 1.088483357422746
Energy: 1.091620739882112
Energy: 1.1676625987773124
Energy: 1.0908844267354572
Energy: 1.0919697335360874
Energy: 1.0872030896400051
Energy: 1.1665792840323268
Energy: 1.149001033440762
Energy: 1.0898922305033116
Energy: 1.0912962174493435
Energy: 1.0920103284448763
Energy: 1.166857866169306
Energy: 1.1497557869919077
Energy: 1.08958365629309
Energy: 1.0913254082686457
Energy: 1.0914657095306248
Energy: 1.0902731917643789
Energy: 1.1675813590454458
Energy: 1.0939787023808512
Energy: 1.1991453548171755
Energy: 1.088394739153974
Energy: 1.0906672566384965
Energy: 1.1678386858048948
Energy: 1.0913707514581428
Energy: 1.1999022790187326
Energy: 1.0880188788740286
Energy: 1.0926613023106615
Energy: 1.0877980939691123
Energy: 1.0897288870245916
Energy: 1.0888935439501117
Energy: 1.1674186134774813
Energy: 1.09116104069149
Energy: 1.090884593896617
Energy: 1.0896950682535416
Energy: 1.088302662654989
Energy: 1.1676952249874326
Energy: 1.0923546132282662
Energy: 1.0929192563269725
Energy: 1.1683945019891446
Energy: 1.1712566962446496
Energy: 1.0905753525362833
Energy: 1.1477286162536733
Energy: 1.1472906874200703
Energy: 1.23225969407224
Energy: 1.0908709411692556
Energy: 1.0925608620201224
Energy: 1.085865216205905
Energy: 1.089373772654825
Energy: 1.0887396995391088
Energy: 1.092289521527565
Energy: 1.1683940965469723
Energy: 1.0883227576410428
Energy: 1.0894045182954115
Energy: 1.1496222597888566
Energy: 1.0895149833119417
Energy: 1.1686656575491787
Energy: 1.199464211493192
Energy: 1.0913913631284802
Energy: 1.1665793778391107
Energy: 1.0915022614112346
Energy: 1.0870684888446394
Energy: 1.1997846093731288
Energy: 1.0909508871947893
Energy: 1.1675303285684238
Energy: 1.0911175789314196
Energy: 1.0880342702645056
Energy: 1.167409640747149
Energy: 1.091473880149831
Energy: 1.0912605063903407
Energy: 1.090873220056566
Energy: 1.0898939920685398
Energy: 1.168333282479511
Energy: 1.0924279020612295
Energy: 1.087412211228392
Energy: 1.0913377198850596
Energy: 1.0898653700978664
Energy: 1.0909345004997657
Energy: 1.0924365328599281
Energy: 1.0908054455548086
Energy: 1.0921381617484531
Energy: 1.1687381880471956
Energy: 1.0902506060804136
Energy: 1.091786065325391
Energy: 1.0917538975648569
Energy: 1.1679800718845268
Energy: 1.168840986906183
Energy: 1.1680840508336596
Energy: 1.087443181531294
Energy: 1.0880522740404512
Energy: 1.0899899752994568
Energy: 1.1684745517380952
Energy: 1.167801562783871
Energy: 1.0873595797765387
Energy: 1.0875769628054435
Energy: 1.0901667584348735
Energy: 1.1689867179136986
Energy: 1.0907160849467372
Energy: 1.0895139644602794
Energy: 1.087786642716804
Energy: 1.0926575889653847
Energy: 1.0923336827330945
Energy: 1.090171626865051
Energy: 1.089756977979941
Energy: 1.0871834717512856
Energy: 1.0932925222336896
Energy: 1.0917428846948631
Energy: 1.0913997141914649
Energy: 1.1678667300433196
Energy: 1.0901245612233084
Energy: 1.0930408299008598
Energy: 1.088413564153556
Energy: 1.091895026556768
Energy: 1.1676737355533946
Energy: 1.0906337596347746
Energy: 1.0921441113070047
Energy: 1.0874654845329703
Energy: 1.170110113759301
Energy: 1.148443724445243
Energy: 1.0899100740057388
Energy: 1.09106808052241
Energy: 1.0917753152764342
Energy: 1.1666645905119002
Energy: 1.149327268182009
Energy: 1.089635593865635
Energy: 1.0911268743466522
Energy: 1.092058833831005
Energy: 1.0900446873309422
Energy: 1.1670123054880597
Energy: 1.0938101165503167
Energy: 1.198935332191582
Energy: 1.0891933477168092
Energy: 1.0905404184728433
Energy: 1.1677936228538126
Energy: 1.091044467949187
Energy: 1.1998451773400378
Energy: 1.0887968235513743
Energy: 1.0929459474809524
Energy: 1.0874513557440362
Energy: 1.0898509240510046
Energy: 1.0886784869763784
Energy: 1.1681767604674984
Energy: 1.0921893257111193
Energy: 1.0908839338457463
Energy: 1.0896789513276655
Energy: 1.0883470880396937
Energy: 1.0916645395901463
Energy: 1.092156451872978
Energy: 1.0943830442809641
Energy: 1.1675449591105744
Energy: 1.0907173186060504
Energy: 1.0905563913027136
Energy: 1.1476242424118026
Energy: 1.1472965468698624
Energy: 1.2328059817454657
Energy: 1.0910001322950607
Energy: 1.0924893505754145
Energy: 1.0859476509214612
Energy: 1.0895563169138125
Energy: 1.0888527790268316
Energy: 1.1672184096957436
Energy: 1.1689867528621045
Energy: 1.08837167503515
Energy: 1.089587852686989
Energy: 1.1499098936921364
Energy: 1.1669344677709672
Energy: 1.1697476604596921

minimum gb energy = 1.085785529036479 eV
minimum distance =  2.33975709029637 Angstroms
sigma value = 15


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

Energy: 1.0708367212123053
Energy: 1.0883626971278384
Energy: 1.1371026158682938
Energy: 1.0664356710223726
Energy: 1.0740598343621766
Energy: 1.0498355798303896
Energy: 1.0671171358783524
Energy: 1.0970583496334845
Energy: 1.1192389211345672
Energy: 1.076339331322107
Energy: 1.03388164720253
Energy: 1.0496999156126692
Energy: 1.0733036836671501
Energy: 1.0747791810959593
Energy: 1.0893524004934079
Energy: 1.044852132418838
Energy: 0.9936417697664081
Energy: 1.0742813615204356
Energy: 1.0858788900618659
Energy: 1.0954478098568086
Energy: 1.0484300179396735
Energy: 1.0861881230778214
Energy: 1.0350602918117955
Energy: 1.1299868818788228
Energy: 1.1895017635273648
Energy: 1.0135651296645154
Energy: 1.0887964027267427
Energy: 1.1205698942628046
Energy: 1.0864160524983466
Energy: 1.2058811318302487
Energy: 1.1197912561622854
Energy: 1.0623374760067563
Energy: 1.069918187720122
Energy: 1.0588475603371876
Energy: 1.1698530009339811
Energy: 1.125620124136934
Energy: 1.062552796801173
Energy: 1.0749622257026759
Energy: 1.0518601432252326
Energy: 1.181547675007078
Energy: 1.0613914614410151
Energy: 1.0707461852695543
Energy: 1.0797048093239983
Energy: 1.1011007196082416
Energy: 1.2382221729369258
Energy: 1.0672847685692057
Energy: 1.0704039088290007
Energy: 1.0838917860954969
Energy: 1.1072737696268513
Energy: 1.2450239470276292
Energy: 1.1557992557476338
Energy: 1.0639320599801705
Energy: 1.0487501502709213
Energy: 1.0932603406021988
Energy: 1.2085292555338563
Energy: 1.0508725540704642
Energy: 1.0409993825796422
Energy: 1.0269059358100656
Energy: 1.0882540208016727
Energy: 1.2225220485398383
Energy: 1.0503615502729677
Energy: 1.0568006683260671
Energy: 1.0483330095191206
Energy: 1.1037400171316278
Energy: 1.0635474559929905
Energy: 1.0545230434862654
Energy: 1.0563325304840012
Energy: 1.0320897769806354
Energy: 1.1230799973476568
Energy: 1.06019657152006
Energy: 1.0980877492988097
Energy: 1.0573211410287455
Energy: 1.1086527884840127
Energy: 1.0683361869661652
Energy: 1.0826568590890786
Energy: 1.0949753375864801
Energy: 1.0537347044870462
Energy: 1.1173883510547065
Energy: 1.054673520512398
Energy: 1.0816897406029844
Energy: 1.0972753796898616
Energy: 1.208908110585979
Energy: 1.0921529209783913
Energy: 1.3373369479846242
Energy: 1.0731112337930921
Energy: 1.0994452875444622
Energy: 1.1004889083099674
Energy: 1.0795239146011835
Energy: 1.1742938561101433
Energy: 1.0640443142846874
Energy: 1.095987622266495
Energy: 1.08745663622151
Energy: 1.049987166121851
Energy: 1.0630628299030271
Energy: 1.0095376966925829
Energy: 1.0854338897322549
Energy: 1.091277049206451
Energy: 1.0767675769051315
Energy: 1.0630239846854568
Energy: 1.0663609920547976
Energy: 1.0715473210563258
Energy: 1.0644307174493015
Energy: 1.0417540160937062
Energy: 1.0120925472527664
Energy: 1.0686450750960859
Energy: 1.0994606640740159
Energy: 1.0688041557781258
Energy: 1.0635269125226385
Energy: 1.0729571303857346
Energy: 1.0763345743210546
Energy: 1.0627176239127751
Energy: 1.0918776827057375
Energy: 1.09827902585182
Energy: 1.1350410803841575
Energy: 1.0952005828273503
Energy: 1.1034071910804835
Energy: 1.0900625148974645
Energy: 1.0563215599392102
Energy: 1.0995587595347935
Energy: 1.106741062177678
Energy: 1.1356407695564632
Energy: 1.126179059532531
Energy: 1.0640259615514365
Energy: 1.0486330964341835
Energy: 1.079615546941154
Energy: 1.1398985893490226
Energy: 1.1317367453868232
Energy: 1.0728077825737148
Energy: 1.0563612108680136
Energy: 1.0970481982601181
Energy: 1.0934459996275725
Energy: 1.0572964877405897
Energy: 1.0640882804668068
Energy: 1.0531554348573469
Energy: 1.0449656015768614
Energy: 1.0758372942367869
Energy: 1.0550418321572776
Energy: 1.0663176766235614
Energy: 1.0271451243755252
Energy: 1.046944217018555
Energy: 1.0723096435123125
Energy: 1.143740684536073
Energy: 1.1608072939140015
Energy: 1.097277830459448
Energy: 1.0155127093521903
Energy: 1.0467097342536638
Energy: 1.1521085188571032
Energy: 1.1806159899092956
Energy: 1.1220849247511155
Energy: 1.0382229464082153
Energy: 1.173865962403329
Energy: 1.0209935693659349
Energy: 1.0654167616647021
Energy: 1.140830449366624
Energy: 1.110834164901326
Energy: 1.1615986773500993
Energy: 1.1724160306279634
Energy: 1.0540471886625546
Energy: 1.1389394052120083
Energy: 1.1077577259150877
Energy: 1.061885570314797
Energy: 1.0392657772709226
Energy: 1.200545878105118
Energy: 1.0877513584815355
Energy: 1.0901035344244336
Energy: 1.0619123164575561
Energy: 1.0425981920530212
Energy: 1.196007824346028
Energy: 1.0822196942433482
Energy: 1.165233897170623
Energy: 1.09279883362528
Energy: 1.1419913426813435
Energy: 1.162524612990929
Energy: 1.1181753495602702
Energy: 1.0146852649734897
Energy: 1.0959412999232774
Energy: 1.2836958808787178
Energy: 1.0764619835750018
Energy: 1.1504442026863921
Energy: 1.051895825277646
Energy: 1.0512123617676024
Energy: 1.104808902613016
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Energy: 1.0637172036314821
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Energy: 1.163376427718973
Energy: 1.0514408575183656
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Energy: 1.0992361045309769
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Energy: 1.1006591755863386
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Energy: 1.050851988552535
Energy: 1.0568509714927001
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Energy: 1.0020678988358012
Energy: 1.0736141199266311
Energy: 1.0605467960619621
Energy: 1.1007479032067338
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Energy: 1.088892714481818
Energy: 1.0961955580352363
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Energy: 1.0859912838738783
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Energy: 1.137330909809399
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Energy: 1.0439320550955629
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Energy: 1.0879576645884836
Energy: 1.1112215845709903
Energy: 1.1759936642894455
Energy: 1.062347662186507
Energy: 1.0672286061893055
Energy: 1.0634304049876164
Energy: 1.0929468609385289
Energy: 1.0851864207068154
Energy: 1.1876213192717648
Energy: 1.043554300365424
Energy: 1.0566825781342255
Energy: 1.082117423455724
Energy: 1.1211304071509032
Energy: 1.0575100597414797
Energy: 1.0561304728499836
Energy: 1.04161327431272
Energy: 1.1172961462572257
Energy: 1.2343435489087995
Energy: 1.0420215676454077
Energy: 1.050360892772601
Energy: 1.0390996907274637
Energy: 1.0706915321168067
Energy: 1.0477019753317989
Energy: 1.098076469756593
Energy: 1.0578108130802437
Energy: 1.090854225233346
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Energy: 1.052351456959285
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Energy: 1.0884754672115047
Energy: 1.0647201056965772
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Energy: 1.0737980961677822
Energy: 1.1047876509719388
Energy: 1.1217743166457586
Energy: 1.1136090636919322
Energy: 1.085149939467176
Energy: 1.0736260508406965
Energy: 1.09914304024081
Energy: 1.0770859459071938
Energy: 1.0980339705032576
Energy: 1.08545534489124
Energy: 1.0855313426100708
Energy: 1.0987466820141858
Energy: 1.0815070992003495
Energy: 1.0563801933478318
Energy: 1.12585606846717
Energy: 1.0531717062244408
Energy: 1.0790238233822758
Energy: 1.075632104378093
Energy: 1.0801166655589838
Energy: 1.1318840356344615
Energy: 1.0866637316442709
Energy: 1.0507479651316824
Energy: 1.0823367697017434
Energy: 1.0835073294649262
Energy: 1.1014381941743334
Energy: 1.0741481163937374
Energy: 1.065892906805112
Energy: 1.042101742540654
Energy: 1.0839959265149328
Energy: 1.1020657626792079
Energy: 1.0686509474003711
Energy: 1.049712411652269
Energy: 1.0406457275268863
Energy: 1.0919795868659845
Energy: 1.0511730337058751
Energy: 1.1061042592331842
Energy: 1.0556794134395922
Energy: 1.0539061533852858
Energy: 1.0485064998353941
Energy: 1.135616811333441
Energy: 1.0487594662642559
Energy: 1.0683774682431193
Energy: 1.0857334897900108
Energy: 1.0756658753722907
Energy: 1.069664383032368
Energy: 1.089389639685705
Energy: 1.061348660650561
Energy: 1.0642469331516806
Energy: 1.0963173738763157
Energy: 1.0542636964585521
Energy: 1.1230837370842817
Energy: 1.051111659809658
Energy: 1.0639012672288095
Energy: 1.1133877667161332
Energy: 1.109912503883635
Energy: 1.1131237208381568
Energy: 1.1749190840202663
Energy: 1.0864528244573481
Energy: 1.056553213672276
Energy: 1.1083733580863522
Energy: 1.1331903343632654
Energy: 1.0463370391240234
Energy: 1.099573122149705
Energy: 1.0645115173944382
Energy: 1.1627602018679946
Energy: 1.0363404445588598
Energy: 1.1013164662540265
Energy: 1.0144790440741247
Energy: 1.0651665557145442
Energy: 1.1703938464900032
Energy: 1.0288110425198485
Energy: 1.0962305944598918
Energy: 1.0280796028581969
Energy: 1.1133253930135014
Energy: 1.0765608502454664
Energy: 1.0505172682032013
Energy: 1.2056131120282305
Energy: 1.1236782829976528
Energy: 1.0603885640883408
Energy: 1.0913096960543494
Energy: 1.043619765670483
Energy: 1.209769654989471
Energy: 1.122438676588551
Energy: 1.0972835648261507
Energy: 1.0523053586848095
Energy: 1.073902048442349
Energy: 1.0801101275005542
Energy: 1.18495029896187
Energy: 1.0158408572843773
Energy: 1.0414961328844754
Energy: 1.0512111195416272
Energy: 1.0721406388497599
Energy: 1.156518219224194
Energy: 1.063398099990207
Energy: 1.0563826973106396
Energy: 1.0696060640541576
Energy: 1.0734883985722548
Energy: 1.0544146412204691
Energy: 1.042870927110125
Energy: 1.0415900877208495
Energy: 1.0810569131143508
Energy: 1.0839049133404626
Energy: 1.0630554264167018
Energy: 1.0439651943376191
Energy: 1.0884586794758215
Energy: 1.1198684852888816
Energy: 1.1072286626581291
Energy: 1.0471845534340003
Energy: 1.04518582994828
Energy: 1.0963682242110018
Energy: 1.0899835186721316
Energy: 1.096563972520332
Energy: 1.0590279904516609
Energy: 1.0576878583351281
Energy: 1.1017716784294944
Energy: 1.1224583447549872
Energy: 1.1071149030837317
Energy: 1.0864145343916563
Energy: 1.0818912705653843
Energy: 1.1009368168258296
Energy: 1.1237633158943396
Energy: 1.0889164310015023
Energy: 1.1364630158701285
Energy: 1.099060365984477
Energy: 1.0438172063991378
Energy: 1.0682228730500347
Energy: 1.0948997919694285
Energy: 1.1077876621687968
Energy: 1.062967878043502
Energy: 1.0762813459128577
Energy: 1.0637810873871685
Energy: 1.08246712570606
Energy: 1.1125589815560801
Energy: 1.0919565665312254
Energy: 1.064229427737218
Energy: 1.0698335850606755
Energy: 1.0600973614630598
Energy: 1.0301174538911901
Energy: 1.0299586288109086
Energy: 1.0254177224968535
Energy: 1.0665781867037574
Energy: 1.0571400051242987
Energy: 1.0184804452116778
Energy: 1.071366148604133
Energy: 1.0489691101150587
Energy: 1.1032184915412209
Energy: 1.0787470379211939
Energy: 1.0154389884417023
Energy: 1.1007506045393747
Energy: 1.0196291745331154
Energy: 1.1214272528852793
Energy: 1.1053931223773525
Energy: 1.068002816810868
Energy: 1.0567650710009868
Energy: 1.0681176862831498
Energy: 1.090081909210205
Energy: 1.1388106177968313
Energy: 1.0891423154190667
Energy: 1.0680951054182595
Energy: 1.053451057226833
Energy: 1.0663039370177398
Energy: 1.0962859815098804
Energy: 1.1352803379747962
Energy: 1.0797266552232416

minimum gb energy = 0.9936417697664081 eV
minimum distance =  2.28644289104149 Angstroms
sigma value = 437


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

Energy: 1.0906825715229163
Energy: 0.94153505282513
Energy: 1.0358991238508486
Energy: 1.0285872517105554
Energy: 0.9077816480220644
Energy: 1.0223183230155386
Energy: 0.9397726211211521
Energy: 1.036166485785942
Energy: 1.0299111299509547
Energy: 0.9076845365647522
Energy: 1.0268519952331907
Energy: 1.0713916622124997
Energy: 1.1533342643741331
Energy: 1.0604754497043527
Energy: 1.1010105509787027
Energy: 1.0277544374598517
Energy: 1.0708688306419196
Energy: 1.1548115125583802
Energy: 1.0170468293018957
Energy: 1.1507506220172674
Energy: 0.9380874755393613
Energy: 0.9878142982074676
Energy: 0.9713288766891576
Energy: 0.9650902806694113
Energy: 1.0819454411942895
Energy: 0.9385841074055938
Energy: 1.0681549511509252
Energy: 0.9719838834114423
Energy: 0.9923116450332579
Energy: 1.0798554791482746
Energy: 0.9606680196206354
Energy: 0.9518173088943319
Energy: 0.9427498168142895
Energy: 0.9284989194230366
Energy: 0.9701530571424901
Energy: 0.9492793039062852
Energy: 0.9446803953055273
Energy: 0.9426929313005729
Energy: 0.9160644176042919
Energy: 0.9715512834349666
Energy: 0.9578522796758243
Energy: 0.9437819189724568
Energy: 0.9422797218773926
Energy: 0.964953108731273
Energy: 0.9121930668955701
Energy: 0.9564916350582944
Energy: 0.9456447472107871
Energy: 0.9434890428816328
Energy: 0.9897517779763966
Energy: 0.9104292148891884
Energy: 0.9399529490594656
Energy: 0.9559441237765642
Energy: 1.0114017161284898
Energy: 0.9378240416482729
Energy: 1.0244884014628703
Energy: 0.9403724819029761
Energy: 0.9572958227957948
Energy: 0.9985987830101811
Energy: 0.938036389684858
Energy: 1.0196729288799966
Energy: 0.9955414277206012
Energy: 0.9875958809111814
Energy: 1.015864875147205
Energy: 1.0491017805966236
Energy: 1.024592779964572
Energy: 0.9960419800545809
Energy: 0.989683381789363
Energy: 0.9911787180720424
Energy: 1.0251208889925159
Energy: 0.9736513699545472
Energy: 1.0701037328182903
Energy: 0.9703492695945527
Energy: 0.9571140168215277
Energy: 1.1487127021831696
Energy: 1.0422016531313074
Energy: 0.979592101690546
Energy: 1.0266826751959122
Energy: 0.9580225825440228
Energy: 1.0406741007294622
Energy: 1.0412239824097989
Energy: 0.9477675657369088
Energy: 1.0454475627143411
Energy: 0.940624821337306
Energy: 0.9698663100625012
Energy: 0.9719767502445421
Energy: 0.9489845218055126
Energy: 1.0450422248219184
Energy: 0.9799506494786248
Energy: 1.0465747556599168
Energy: 0.9458658969497226
Energy: 0.9741106900480371
Energy: 1.1021793375275248
Energy: 0.9574526031597403
Energy: 1.2144067591064913
Energy: 0.9416629031368978
Energy: 0.9206118290912245
Energy: 1.0920692571652373
Energy: 0.9572244230421194
Energy: 1.212193559132885
Energy: 0.9416225363984199
Energy: 0.9581166938962784
Energy: 0.9403666400870031
Energy: 0.9480066099300413
Energy: 1.0246119622812881
Energy: 0.945267004268856
Energy: 0.9595955096788411
Energy: 0.9412422273151141
Energy: 0.9447661171910852
Energy: 0.9702216821645018
Energy: 0.9576924633417402
Energy: 0.9403468399573104
Energy: 0.9425926720919525
Energy: 0.9298881265082535
Energy: 0.9846038829271119
Energy: 0.9277307979679231
Energy: 0.9408907236458043
Energy: 0.94295015456934
Energy: 1.0938309587950195
Energy: 0.9941701295123947
Energy: 0.9261214853524923
Energy: 0.9412881103413541
Energy: 0.957685449657989
Energy: 1.0630161986424884
Energy: 1.0431294568199097
Energy: 0.9957396752080228
Energy: 0.9410918092267819
Energy: 0.9568221061571378
Energy: 1.0902968005885978
Energy: 1.0156150537195638
Energy: 1.0024250561427186
Energy: 1.010113512607776
Energy: 0.9471200662702081
Energy: 0.9951259420768755
Energy: 0.9476634075946249
Energy: 0.936365972043713
Energy: 1.0570945071155453
Energy: 0.946247748968959
Energy: 1.144452518801153
Energy: 0.9458316752903356
Energy: 0.9380677526276682

minimum gb energy = 0.9076845365647522 eV
minimum distance =  2.32669732666233 Angstroms
sigma value = 33