Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ag__MO_111986436268_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.073291137814522
cohesive_energy=3.00442488504709
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.196636888755188e-19, 1.7279955650680198e-19, 2.1497365204358398e-19, 2.5037694912508198e-19, 2.8086957482337e-19, 3.07539407072934e-19, 3.31080188356296e-19, 3.51996604313166e-19, 3.7062831638995196e-19, 3.87241285907898e-19, 4.0205180671259394e-19, 4.15231311703878e-19, 4.2691758807227397e-19, 4.3722599253543e-19, 4.46259064397922e-19, 4.54106525551254e-19, 4.60835667414054e-19, 4.66512179228316e-19, 4.71193739352864e-19, 4.749364239698879e-19, 4.77783491848506e-19, 4.797717930512999e-19, 4.809413819941199e-19, 4.813243022096459e-19, 4.809205536978779e-19, 4.79593951444926e-19, 4.77161847314514e-19, 4.73407947461052e-19, 4.680759036230999e-19, 4.60854893533662e-19, 4.51366803507114e-19, 4.39145400142962e-19, 4.23621910736136e-19, 4.04107399334016e-19, 3.79704647021562e-19, 3.4929853886150995e-19, 3.1148717029911e-19, 2.64460081737942e-19, 2.0589892358860798e-19, 1.327289586727986e-19, 4.0898442500791196e-20, -7.506421835018759e-20, -2.22609625881228e-19, -4.12190380452546e-19, -6.586403946476939e-19, -9.83617892205084e-19, -1.4196166174388698e-18, -2.01707629514064e-18, -2.8574019179072994e-18, -4.0786610571738e-18, -5.92986400539642e-18, -8.89578134672454e-18, -1.402474929631704e-17, -2.3940684571208397e-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: 0.010325072194601655
Energy: 0.1218978921042136
Energy: 0.12422247585315777
Energy: 0.12356340080626696
Energy: 0.014165147897564286
Energy: 0.011660889894343215
Energy: 0.12153488456370481
Energy: 0.12509150931514543
Energy: 0.12288224972225714
Energy: 0.013490355877908379
Energy: 0.12182485286153218
Energy: 0.12173357702457269
Energy: 0.12388606383342875
Energy: 0.12484914234114845
Energy: 0.1243127670222785
Energy: 0.1222027734468386
Energy: 0.12186872263465262
Energy: 0.12377595564516883
Energy: 0.12550018554533784
Energy: 0.12356480503885674
Energy: 0.12424248207674826
Energy: 0.010918921068643535
Energy: 0.010693961550133337
Energy: 0.12237780550131792
Energy: 0.12354650824841278
Energy: 0.12418945488895738
Energy: 0.013504386779005024
Energy: 0.010661903408099896
Energy: 0.12193246503107522
Energy: 0.1244890192578355
Energy: 0.12369416483133844
Energy: 0.011473820895687728
Energy: 0.011731122166096782
Energy: 0.1215375150043971
Energy: 0.12196425820869555
Energy: 0.12408382233827715
Energy: 0.012170274950394617
Energy: 0.010957148648285944
Energy: 0.12342950537692891
Energy: 0.12167258377800301
Energy: 0.12286269202289932
Energy: 0.12284266874703152
Energy: 0.12503853070876475
Energy: 0.012153133039690006
Energy: 0.01087224687377878
Energy: 0.12241374190444382
Energy: 0.12351791230333278
Energy: 0.12449499137565921
Energy: 0.013373032787198032
Energy: 0.12187161973534957
Energy: 0.1247154506967501
Energy: 0.1223857176857073
Energy: 0.12324951159648384
Energy: 0.011359768702261566
Energy: 0.01108463244193585
Energy: 0.1255290176728834
Energy: 0.12186127789881204
Energy: 0.12363674630906872
Energy: 0.012034142955252179
Energy: 0.01121506467062278
Energy: 0.011226895875845732
Energy: 0.12564398858974382
Energy: 0.12342882967662477
Energy: 0.12248347999071985
Energy: 0.12619110186192134
Energy: 0.0112303292396175
Energy: 0.12644602109996889
Energy: 0.12295329188868645
Energy: 0.12300243125361779
Energy: 0.12566816719293364

minimum gb energy = 0.010325072194601655 eV
minimum distance =  2.83761654008437 Angstroms
sigma value = 3


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

Energy: 1.0861124322386457
Energy: 0.9361224008301597
Energy: 0.9914578337867985
Energy: 0.9383411521148082
Energy: 0.9814467052903949
Energy: 0.9783821651876751
Energy: 0.9361389159994231
Energy: 0.9920188207706683
Energy: 0.9912980478002004
Energy: 1.009842142097764
Energy: 0.9969813584092055
Energy: 0.9130749289971245
Energy: 0.9400854244208986
Energy: 0.9396332015299018
Energy: 0.8731656234427044
Energy: 0.8693882168712048
Energy: 0.9256614642718599
Energy: 0.9918443112164939
Energy: 0.8841252585965624
Energy: 0.8916893527384601
Energy: 0.8752989985795533
Energy: 1.0539883425312158
Energy: 0.8883794152985767
Energy: 0.8707244289937193
Energy: 0.8728040526544047
Energy: 0.870744621027566
Energy: 1.054126562736472
Energy: 0.8884757333812486
Energy: 0.8708027143258071
Energy: 0.8735323072255436
Energy: 0.8741002514951025
Energy: 0.9916464708383941
Energy: 1.01427070414905
Energy: 0.8707430504412638
Energy: 0.8737101985204497
Energy: 0.871206670078646
Energy: 0.9867764678866229
Energy: 0.8919836316157775
Energy: 0.9300977511843601
Energy: 0.8733488420798893
Energy: 0.9868469949781979
Energy: 1.0152680771245441
Energy: 1.0880507462558844
Energy: 1.0377744814329726
Energy: 0.9135588719393196
Energy: 1.0026638992540848
Energy: 1.017067714203507
Energy: 0.9625815927849736
Energy: 0.910531256751594
Energy: 0.9114877076211954
Energy: 1.0546079013127128
Energy: 1.0137690487406517
Energy: 0.9618279926443233
Energy: 0.9091459827348899
Energy: 1.0476007947266848
Energy: 1.0574071560145315
Energy: 1.0579368414952308
Energy: 0.9621485523878026
Energy: 0.9125212917469612
Energy: 0.9621627378605152
Energy: 1.0495345383356391
Energy: 0.9870084874369
Energy: 0.9955007774125861
Energy: 0.9079616429048325
Energy: 1.0508448263554604
Energy: 1.0494986599150975
Energy: 0.9885436160464154
Energy: 0.9591703480736942
Energy: 0.908115955338378
Energy: 1.0479983854820776
Energy: 1.057173244468023
Energy: 1.0462324023571588
Energy: 1.0458041841386123
Energy: 1.0454656989358029
Energy: 1.0453742624441076
Energy: 1.049183531032366
Energy: 1.0472842044870692
Energy: 1.0457361307147253
Energy: 1.0450087895710638
Energy: 1.0448919695154697
Energy: 1.0477884394895545
Energy: 0.8475504029916331
Energy: 0.7846742675716071
Energy: 1.1055674259562729
Energy: 1.0407743584034566
Energy: 1.0484510172110424
Energy: 0.853672089055321
Energy: 0.8691897025151786
Energy: 0.8764418233850717
Energy: 1.0395173349459685
Energy: 1.0570795756298021
Energy: 0.9126356581274084
Energy: 0.9094804146144719
Energy: 0.9576458782554207
Energy: 0.8927359980477132
Energy: 0.9597241727439614
Energy: 0.9119082156949504
Energy: 0.9100059974069233
Energy: 0.9568183556820563
Energy: 0.8929100804196044
Energy: 0.9089790006445448
Energy: 0.9127485573006822
Energy: 0.9654545088823531
Energy: 0.9626296396710249
Energy: 0.8927419071517307
Energy: 0.8668875049775909
Energy: 0.9111709732904714
Energy: 0.9647988807795683
Energy: 0.9618998156832711
Energy: 0.8922399041653447
Energy: 1.0584738186901546
Energy: 0.8875128586137772
Energy: 1.0626851973499194
Energy: 1.0400224116303673
Energy: 0.934979898219399
Energy: 0.9372704267662146
Energy: 0.8907171760711753
Energy: 1.165697903236401
Energy: 1.0395139463887442
Energy: 1.115055122215604
Energy: 1.059367941385459
Energy: 1.015609167181227
Energy: 1.0574349428291796
Energy: 1.0134743939599216
Energy: 1.0548485657755422
Energy: 0.9078224809067684
Energy: 0.8861998676701326
Energy: 1.058481582340574
Energy: 1.0171790436872155
Energy: 1.0546447104300278
Energy: 0.7824238808794024
Energy: 0.8928337347264358
Energy: 1.0761588088237097
Energy: 1.0450006884643739
Energy: 1.1822064830221861
Energy: 0.7820653114722455
Energy: 0.8938160472966975
Energy: 1.0762378715147798
Energy: 1.044334687149745
Energy: 1.1906909248175193
Energy: 1.0132783309184719
Energy: 1.0730522479679305
Energy: 1.076035714774804
Energy: 1.0717304127925125
Energy: 1.0166576962547076
Energy: 1.0128326290591851
Energy: 1.0736864006735505
Energy: 1.0765195479975074
Energy: 1.072069522319482
Energy: 1.0167555141502547
Energy: 0.7693179948540123
Energy: 1.115270701556186
Energy: 1.0646334308219978
Energy: 1.0787671470408133
Energy: 0.8953616130738257
Energy: 0.7696165126711476
Energy: 1.0942397589201738
Energy: 1.0653229143252685
Energy: 1.0790877652677855
Energy: 0.8936229085507419
Energy: 0.8865099976342286
Energy: 0.9387750095341871
Energy: 0.8884122647915483
Energy: 0.928009049469228
Energy: 0.8872918239629944
Energy: 0.9368202738821546
Energy: 0.9407453334501545
Energy: 0.888300043749155
Energy: 0.9327764732828216
Energy: 0.8866526718129933
Energy: 0.930550284150223
Energy: 0.8863711804820333
Energy: 0.8917211302447565
Energy: 0.9270607426578816
Energy: 0.8540758716450816
Energy: 0.9309615693901896
Energy: 0.8865257439661716
Energy: 0.8892280668111134
Energy: 0.9291254491190385
Energy: 0.8554028972416609
Energy: 1.1182452927332258
Energy: 1.0883749079740996
Energy: 1.0906052130493862
Energy: 0.9103996574004505
Energy: 0.9121553080010132
Energy: 1.1827170064568908
Energy: 1.042082425457172
Energy: 1.0896112366347652
Energy: 0.9107395051396179
Energy: 0.787613854502493
Energy: 1.0542322078740862
Energy: 1.0525123358635755
Energy: 1.0845718677515237
Energy: 0.9098958647364189
Energy: 1.0946003647635534
Energy: 1.0545126408616756
Energy: 1.056363730352016
Energy: 1.0830356607282878
Energy: 0.9786451563922071
Energy: 1.090917735470253
Energy: 1.048678214353529
Energy: 1.0487416371945906
Energy: 0.9581811422923158
Energy: 0.9070003618548087
Energy: 0.9710966591097853
Energy: 1.0445234371742353
Energy: 1.0330387262240976
Energy: 0.8677852920025075
Energy: 0.9074894565622913
Energy: 0.9687572798801205
Energy: 1.0437839126201096
Energy: 1.0421928546227726
Energy: 1.0469069241315407
Energy: 0.8695285899243117
Energy: 1.0471569696515552
Energy: 1.046955990677429
Energy: 1.0441412763021412
Energy: 0.8694734201534948
Energy: 1.028745729708143
Energy: 1.046558083248105
Energy: 1.045998657160836
Energy: 0.9334883229845456
Energy: 0.8254435686729228
Energy: 0.8649476478521507
Energy: 1.0440872838118658
Energy: 1.048299522747079
Energy: 0.9339135183898375
Energy: 0.8335111879795145
Energy: 0.9676488624257147
Energy: 1.0427780521070964
Energy: 0.9589007037132297
Energy: 0.9135907256889103
Energy: 0.9083827038859359
Energy: 0.8313606040697171
Energy: 0.8924101397302211
Energy: 0.8847875651226207
Energy: 0.9115051929598788
Energy: 0.9086517692987469
Energy: 0.8281797576623332
Energy: 0.8927768369882996
Energy: 0.8668705813845774
Energy: 0.9102622222219993
Energy: 0.9085114500409515
Energy: 0.8304091648031534
Energy: 0.8922248728307384
Energy: 0.8284216891966711
Energy: 0.909985098979343
Energy: 0.9096737024402015
Energy: 0.8311323429284598
Energy: 0.8924808084467131
Energy: 0.8721046087493428
Energy: 0.9087451335619862
Energy: 1.0082052895098603
Energy: 0.927041847133662
Energy: 0.9855962956508896
Energy: 0.8740957067226661
Energy: 0.9743606581133858
Energy: 0.9127387350579723
Energy: 1.049244855329876
Energy: 0.9883720855519385
Energy: 1.0474324988784602
Energy: 0.982176497546265
Energy: 1.0017835703843025
Energy: 1.014872245406412
Energy: 1.0543942398170232
Energy: 1.002696868737418
Energy: 0.8719057388522446
Energy: 1.0011171313486156
Energy: 1.052671468973527
Energy: 1.0542606502137337
Energy: 0.9949551223826478
Energy: 0.8736846963647139
Energy: 0.9922817253735436
Energy: 0.9918445949050876
Energy: 0.9398895848852875
Energy: 0.8691802346528532
Energy: 0.872433534936844
Energy: 0.9941398710640327
Energy: 0.9406304745582061
Energy: 1.200194433438896
Energy: 1.0116772708826378
Energy: 0.9366910235651073
Energy: 0.992133240343481
Energy: 0.938576207599296
Energy: 0.9816220017089622
Energy: 0.9784402036781819
Energy: 0.9363311776311795
Energy: 0.9916906218618688
Energy: 0.9401892337066277
Energy: 1.0118503376510255

minimum gb energy = 0.7693179948540123 eV
minimum distance =  2.51225494671974 Angstroms
sigma value = 75


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

Energy: 2.2626106010491482
Energy: 1.1632944649811394
Energy: 1.0539767119449903
Energy: 1.2148739034786094
Energy: 1.216164449379992
Energy: 1.2364092992473428
Energy: 1.2148839632460955
Energy: 1.1095660730584993
Energy: 1.2320879349471576
Energy: 1.2081423985143918
Energy: 1.1542017101463955
Energy: 1.0768466777561712
Energy: 1.1101101069232309
Energy: 1.0507216934414667
Energy: 1.0695646265360188
Energy: 1.0924148198201908
Energy: 1.2171400393806815
Energy: 1.0837436991141436
Energy: 1.1101183567579411
Energy: 1.0716528278415083
Energy: 1.1197119790960295
Energy: 1.2292483767621794
Energy: 1.2295116480582482
Energy: 1.1024020016633882
Energy: 1.0639301658270168
Energy: 1.0862088967989216
Energy: 1.2291002577270826
Energy: 1.2294356749349522
Energy: 1.1280540098593925
Energy: 1.0361129137873524
Energy: 1.0987910754877979
Energy: 1.0466744873841678
Energy: 1.0246933792639261
Energy: 1.0841970648534607
Energy: 1.0664482429756286
Energy: 1.0810633288741507
Energy: 1.0852449116336693
Energy: 1.06601624505801
Energy: 1.1131392399732387
Energy: 1.0358077802197687
Energy: 1.2920016910703107
Energy: 0.9638108297175573
Energy: 1.1728108787616016
Energy: 1.3001591730368205
Energy: 1.3262483269681293
Energy: 1.3159325896553409
Energy: 0.9798617670933257
Energy: 1.1728943409203676
Energy: 1.3156578605863942
Energy: 1.330547978639456
Energy: 1.2491833866695372
Energy: 1.2502762014289794
Energy: 1.268509940346618
Energy: 1.1011758043147564
Energy: 1.3057468322273942
Energy: 1.258894106141849
Energy: 1.2503062885424174
Energy: 1.3410065384039287
Energy: 1.1643948558808828
Energy: 1.3326814806784828
Energy: 1.082108159286988
Energy: 1.119236107858838
Energy: 1.0735341231828337
Energy: 1.0794584900692186
Energy: 1.1206943116731576
Energy: 0.999652456208175
Energy: 1.1411785017628733
Energy: 1.0652014930603821
Energy: 1.146617780332512
Energy: 1.155212822103232
Energy: 1.0653229117205307
Energy: 1.1329118469660313
Energy: 1.2290080854473084
Energy: 1.2291003999660106
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Energy: 1.0819575847984293
Energy: 1.228941332775114
Energy: 1.2293500142644092
Energy: 1.052367758329055
Energy: 1.0651085806526897
Energy: 1.0627674209974611
Energy: 1.083241580867462
Energy: 1.0798249294844413
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Energy: 1.080384601484411
Energy: 1.1110003971152196
Energy: 1.1021140957199163
Energy: 1.0964536310269801
Energy: 1.0770710601464755
Energy: 1.3007756516646447
Energy: 1.2481520638702905
Energy: 1.0041398638336396
Energy: 1.241365512070235
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Energy: 1.3088183555126296
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Energy: 1.3260547879430171
Energy: 1.298647809118077
Energy: 1.2483358267354965
Energy: 1.2485608021580048
Energy: 1.2921036707076856
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Energy: 1.3092494515147006
Energy: 1.2496665662778865
Energy: 1.2496508150844936
Energy: 1.2976667465244298
Energy: 1.1528510246795662
Energy: 1.0876258510030683
Energy: 1.0285680441455587
Energy: 1.0296126391568485
Energy: 1.0298383348722837
Energy: 1.0923020817189528
Energy: 1.1241789908572553
Energy: 1.115244174404626
Energy: 1.1342182480177057
Energy: 1.2808456625873774
Energy: 1.1733030554509842
Energy: 1.025050002517988
Energy: 1.0653642594518486
Energy: 1.0473666589218198
Energy: 1.2290483801733827
Energy: 1.0925135020359922
Energy: 1.0094581823294273
Energy: 1.0678402415458719
Energy: 1.0740747504706942
Energy: 1.26558959214853
Energy: 1.101702035421877
Energy: 1.0807766238618792
Energy: 1.0143929477896265
Energy: 1.0533807529176753
Energy: 1.0551928074834664
Energy: 1.0916374351518936
Energy: 1.166655208311655
Energy: 1.087590841610948
Energy: 1.0772631509070705
Energy: 1.114380384362151
Energy: 1.0953882973143494
Energy: 1.3338842422738513
Energy: 1.2901829415623254
Energy: 1.2536275287865914
Energy: 0.9637388777154173
Energy: 1.2516079160889053
Energy: 1.2935448838707573
Energy: 1.2691523174811297
Energy: 1.2384609679372014
Energy: 1.238996743149535
Energy: 1.3003995844770353
Energy: 1.1471130433175372
Energy: 1.1036421656338593
Energy: 0.9631128212919019
Energy: 1.253621056160257
Energy: 1.131780425573275
Energy: 1.1420951125923982
Energy: 1.080758295238531
Energy: 1.0172126578489464
Energy: 1.2384999876106977
Energy: 1.1114313031561855
Energy: 1.1647009861782631
Energy: 1.0779396287920586
Energy: 1.0539128014168972
Energy: 1.061920448406962
Energy: 1.073284182585747
Energy: 1.106984708103938
Energy: 1.0370864284589076
Energy: 1.115344514530956
Energy: 1.0815801099593778
Energy: 1.073638407139216
Energy: 1.0945274890178982
Energy: 1.0766501421519663
Energy: 1.076351798899674
Energy: 1.034729145242609
Energy: 1.0732448923246685
Energy: 1.0550360221750363
Energy: 1.0765611501580257
Energy: 1.0764560098593532
Energy: 1.0845349621472133
Energy: 1.08905818333622
Energy: 1.1277094843837971
Energy: 1.0401622012578506
Energy: 1.073263417030671
Energy: 1.167156356046282
Energy: 0.988181531021757
Energy: 1.1166332349294532
Energy: 1.0913520035998034
Energy: 1.0212668758578816
Energy: 1.1226080906184568
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minimum gb energy = 0.9627125872599642 eV
minimum distance =  2.59919213700984 Angstroms
sigma value = 105


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

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Energy: 1.253219490759251
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Energy: 1.1695102140619613
Energy: 1.1621152311158431
Energy: 1.1410643921834187
Energy: 1.3041548889905716
Energy: 1.054369895179042
Energy: 1.2320067482411658
Energy: 1.1619294093392756
Energy: 1.2978412119014047
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Energy: 1.0775959324484061
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Energy: 1.2076324862192303
Energy: 1.1694761094690225
Energy: 1.1849137918542394
Energy: 1.0962980669654034
Energy: 1.1856433795585186
Energy: 1.1968728740725718
Energy: 1.2068663989532835
Energy: 1.0297556138358204
Energy: 1.1853004827795395
Energy: 1.189074653100293
Energy: 1.1401115663329642
Energy: 1.1942632148129773
Energy: 1.0527868458303258
Energy: 1.1847734121859794
Energy: 1.1631945392018286
Energy: 1.1953538738445757
Energy: 1.2045300403572514
Energy: 1.2040960091602866
Energy: 1.1404839491455123
Energy: 1.1940877983072096
Energy: 1.1402433879014306
Energy: 1.1141411541424873
Energy: 1.114290438228121
Energy: 1.1106185869603307
Energy: 1.079937788069103
Energy: 1.1745963763650946
Energy: 1.1944239889688375
Energy: 1.2065612901736178
Energy: 1.1407852222424169
Energy: 1.0805753799423772
Energy: 1.1403856673687085
Energy: 1.0667921562897804
Energy: 1.1941926957002007
Energy: 1.1945564545450222
Energy: 1.1255995573950717
Energy: 1.1493524122760528
Energy: 1.1041450297575162
Energy: 1.111439947016076
Energy: 1.1393815892012933
Energy: 1.150616984314755
Energy: 1.2566689009382526
Energy: 1.1051905824596127
Energy: 1.1174635518987097
Energy: 1.1965389503908457
Energy: 1.1095417089946196
Energy: 1.1954924821406243
Energy: 1.2079749914432503
Energy: 1.139759262312716
Energy: 1.164850909682352
Energy: 1.196247246632273
Energy: 1.2384438847575416
Energy: 1.208105303860116
Energy: 1.168294012393816
Energy: 1.160041872279533
Energy: 1.1939054734413292
Energy: 1.206911054782889
Energy: 1.165166912764189
Energy: 1.0961562580474455
Energy: 1.0314978467631353
Energy: 1.1414398338666565
Energy: 1.0663184210324752
Energy: 1.03045036839291
Energy: 1.0323903884578396
Energy: 1.0311874082787102
Energy: 1.2001800362695676
Energy: 1.0786894680812107
Energy: 1.0288748588354508
Energy: 1.0306896399963195
Energy: 1.0308710409585677
Energy: 1.0283786130778374
Energy: 1.0221615143453862
Energy: 1.0288024896056007
Energy: 1.031001191010701
Energy: 1.031119720461039
Energy: 1.1694569566748176

minimum gb energy = 1.0221615143453862 eV
minimum distance =  2.52654161516456 Angstroms
sigma value = 165


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

Energy: 1.575138051841734
Energy: 1.0620064074945104
Energy: 1.0617162421488464
Energy: 1.0637652893175775
Energy: 1.0538468104035885
Energy: 1.172567461269946
Energy: 1.0621260881535715
Energy: 1.0616036303979224
Energy: 1.063501906022372
Energy: 1.0539548172373694
Energy: 1.1377393665533675
Energy: 1.1348875962713374
Energy: 1.0604683820600942
Energy: 1.1409551964519626
Energy: 1.134936598627933
Energy: 1.13442318041176
Energy: 1.1353107514985785
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Energy: 1.138150186073946
Energy: 1.0625001106497203
Energy: 1.062291887469744
Energy: 1.1917816852862024
Energy: 1.1259809319570893
Energy: 1.0631930522822708
Energy: 1.2022497502992595
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Energy: 1.1791847002810505
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Energy: 1.0500386113436266
Energy: 1.0629124612116398
Energy: 1.0613935867200033
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Energy: 1.054276518195287
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Energy: 1.0626765525319724
Energy: 1.0619996464228505
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Energy: 1.2048729479428848
Energy: 1.0631934877254219
Energy: 1.134353640570933
Energy: 1.0630245280022386
Energy: 1.1354105811369926
Energy: 1.1965533645130142
Energy: 1.0616817269731231
Energy: 1.0627108954384021
Energy: 1.1893029169448972
Energy: 1.0525916967848798
Energy: 1.0638244765032112
Energy: 1.0614327898954399
Energy: 1.062001167665966
Energy: 1.191297196494206
Energy: 1.052992475833026
Energy: 1.062954423364712
Energy: 1.1358351173268226
Energy: 1.0620752944956866
Energy: 1.1394746262371138
Energy: 1.0501836636832313
Energy: 1.0632255536464792
Energy: 1.1340899598900238
Energy: 1.0622162928129444
Energy: 1.1450062312603617
Energy: 1.153532035600152
Energy: 1.1827725877736923
Energy: 1.0593248424229667
Energy: 1.0621768300159005
Energy: 1.133564989624529
Energy: 1.062874358066249
Energy: 1.1825322051798497
Energy: 1.1323883023949723
Energy: 1.06203335167533
Energy: 1.1344358166121533
Energy: 1.063060301216101
Energy: 1.1305884803971458
Energy: 1.134908505909427
Energy: 1.062243217594138
Energy: 1.0539416983714671
Energy: 1.1331690063485043
Energy: 1.132487295438322
Energy: 1.134089675733624
Energy: 1.0626596437495073
Energy: 1.0539918629981608
Energy: 1.1354477466719002
Energy: 1.0527122690774147
Energy: 1.1431778780501787
Energy: 1.0633641096118098
Energy: 1.0614570656418534
Energy: 1.1355799894171135
Energy: 1.1195133428693531
Energy: 1.1389659365841962
Energy: 1.0636603580139294
Energy: 1.0616919532633724
Energy: 1.1355574876637788

minimum gb energy = 1.049647003618639 eV
minimum distance =  2.58057536025227 Angstroms
sigma value = 41


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

Energy: 0.9908350990855056
Energy: 0.9138136698100685
Energy: 0.9127535976975686
Energy: 0.9135318046775122
Energy: 0.9041962007946552
Energy: 0.99189259982817
Energy: 0.9135574498448757
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Energy: 1.0183741406996079
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Energy: 0.9529544392428048
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Energy: 0.9547767063504403
Energy: 0.9719927085163567
Energy: 0.9829507882602911
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Energy: 0.9840666415061737
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Energy: 0.9125646643775569
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Energy: 1.0426590474239434
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Energy: 0.9727433185723233
Energy: 0.915500746183469
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Energy: 0.9511930012072427
Energy: 1.039492796677694
Energy: 0.9829963699300583
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Energy: 0.9512028304482013
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Energy: 0.9124635685654471
Energy: 0.9127936376768593
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Energy: 0.9816925480903139
Energy: 1.045602218626266
Energy: 0.9124025324260483
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Energy: 1.045099012172552
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Energy: 0.9134429795436803
Energy: 0.9119920371644757
Energy: 1.0343674253549706
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Energy: 0.9510125692457547
Energy: 0.9124590484751502
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Energy: 0.9151744793531802
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Energy: 1.025834006151496
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Energy: 1.0411353735116942
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Energy: 1.039145024665186
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Energy: 1.0585992667863868
Energy: 0.9136106521132974
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Energy: 1.0398302896538434
Energy: 1.0461946518743699
Energy: 1.0402217562626415
Energy: 1.0440989156059757
Energy: 1.041800040876051
Energy: 1.0400832809105036
Energy: 0.9041338017573968
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Energy: 0.9508366510619315
Energy: 1.0411271969172036
Energy: 1.0421137322445495
Energy: 0.9717558555728033
Energy: 1.0395739274211682
Energy: 1.0465879343729718
Energy: 1.03838872523919
Energy: 1.0231156397760686
Energy: 0.971862901833291
Energy: 1.044600768235411
Energy: 1.0390187682789995
Energy: 1.029811176035687
Energy: 1.0245645533408123
Energy: 0.9708208471884029
Energy: 1.0575867923073576
Energy: 1.0399871731552335
Energy: 0.9731787442096106
Energy: 0.9483311405592468
Energy: 0.9714681391380913
Energy: 1.0565685059420131
Energy: 1.0396894314502712
Energy: 0.9826046319582088
Energy: 0.9493004952764112
Energy: 1.0165433447010663
Energy: 0.9813863214781595
Energy: 1.040303822344218
Energy: 0.9730260544593007
Energy: 0.9036200714989139
Energy: 1.0166885198575197
Energy: 1.0221928561224116
Energy: 1.0391312593245499
Energy: 0.983368186552193
Energy: 0.9032450376319859
Energy: 0.9825262326645997
Energy: 1.013622874032147
Energy: 0.9514064425685296
Energy: 0.9524454855973638
Energy: 0.9125834201232897
Energy: 0.9829239195865679
Energy: 1.0499263232770455
Energy: 0.951344777498839
Energy: 0.9515435646440061
Energy: 0.9128815608037448
Energy: 0.9727251126407407
Energy: 0.9529014430791686
Energy: 0.9125886548732481
Energy: 0.9133023802305549
Energy: 0.9154144815249514
Energy: 0.9730229666578531
Energy: 1.0308126607364851
Energy: 0.9124934787637478
Energy: 0.9131112723044297
Energy: 0.9126738344659293
Energy: 1.0419491228985776
Energy: 1.0422366188300387
Energy: 0.948958534758867
Energy: 0.9133442814036803
Energy: 0.9137677503970927
Energy: 1.042273180340407
Energy: 1.0446664972565822
Energy: 0.9482425985786044
Energy: 0.9135417559131281
Energy: 0.9131316020616662
Energy: 0.9146764638837325
Energy: 0.9135317070350891
Energy: 0.9490393794198908
Energy: 0.9513370427773927
Energy: 0.9492511822631776
Energy: 0.9894410883941505
Energy: 0.912103513062496
Energy: 0.9509223954533631
Energy: 0.9494951087271997
Energy: 0.9047041085765413

minimum gb energy = 0.9032450376319859 eV
minimum distance =  2.62696995187597 Angstroms
sigma value = 185


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

Energy: 0.8632577624864497
Energy: 0.7657871243337862
Energy: 0.8026016962991223
Energy: 0.7684423964955713
Energy: 0.4389254145120242
Energy: 0.44431250205507483
Energy: 0.7729795688765575
Energy: 0.7689215782221924
Energy: 0.6612245479177179
Energy: 0.7539820269155714
Energy: 0.8207102677136292
Energy: 0.7681252569267565
Energy: 0.7694163219024603
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Energy: 0.7564427458746936
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Energy: 0.7977780731333967
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Energy: 0.4950621783250736
Energy: 0.5101383087858041
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Energy: 0.7698165868420467
Energy: 0.6598641253140476
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Energy: 0.7928888074785296
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Energy: 0.8370445217172546
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Energy: 0.802256725473558
Energy: 0.7625132743728225
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Energy: 0.7895235690107111
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Energy: 0.4971765892018539
Energy: 0.7083508414987736
Energy: 0.6714030592268603
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Energy: 0.49373468487623057
Energy: 0.49545257337005827
Energy: 0.7073080265545709
Energy: 0.7659326393675736
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Energy: 0.7079760610014008
Energy: 0.7203229302534467
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Energy: 0.854961333506547
Energy: 0.6919525849954838
Energy: 0.6423493243065823
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Energy: 0.4360678439870128
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Energy: 0.7220238036947592
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Energy: 0.5575856516102149
Energy: 0.5571174160406512
Energy: 0.9269913057344871
Energy: 0.7868576894136778
Energy: 0.6357780012365626
Energy: 0.4378768691328785
Energy: 0.7634226287582014
Energy: 0.6912666266227262
Energy: 0.840071092918235
Energy: 0.677215651852894
Energy: 0.5571428815095173
Energy: 0.7753981281024908
Energy: 0.7035035555929899
Energy: 0.8033090938944482
Energy: 0.7759961103447293
Energy: 0.5427654907243618
Energy: 0.7321775664485903
Energy: 0.6355124531800814
Energy: 0.7970808967690076
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Energy: 0.4380889631319058
Energy: 0.8867655746053938
Energy: 0.7011495922633763
Energy: 0.6339504269492217
Energy: 0.5452428922095617
Energy: 0.5482196759406198
Energy: 0.7614156583727854
Energy: 0.8184448091620018
Energy: 0.6780877923780357
Energy: 0.4354966584578932
Energy: 0.4447407297301441
Energy: 0.9049335897148469
Energy: 0.850260807773387
Energy: 0.8069267040267679
Energy: 0.8066667296103248
Energy: 0.7971829264066894
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Energy: 0.8473182465077995
Energy: 0.8471416415481529
Energy: 0.836613643668873
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Energy: 0.6905009704497107
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Energy: 0.49806902582388063
Energy: 0.49380100218350576
Energy: 0.8019403340871042
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Energy: 0.8194971810692545
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Energy: 0.8326278595341512
Energy: 0.8462364115032605
Energy: 0.4973043655897409
Energy: 0.49478917101109976
Energy: 0.8001021944861075
Energy: 0.8267121573820874
Energy: 0.7944733442537701
Energy: 0.5424130567272399
Energy: 0.5437049724943543
Energy: 0.7962118162580166
Energy: 0.7851506097343366
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Energy: 0.8461060499891245
Energy: 0.8198156830453617
Energy: 0.7962149108650118
Energy: 0.8300862219387681
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Energy: 0.8330217094841994
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Energy: 0.8069450241399782
Energy: 0.8127422788560512
Energy: 0.8191891889262559
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Energy: 0.855175335271661
Energy: 0.8291141611007627
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Energy: 0.5564463270499881
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Energy: 0.7967000995348927
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Energy: 0.553757554489722
Energy: 0.7719203606799031
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Energy: 0.8157757162357
Energy: 0.8613152833244445
Energy: 0.5558950607146323
Energy: 0.801972746342309
Energy: 0.9144016957471826
Energy: 0.8042281099159845
Energy: 0.8185919264069641
Energy: 0.8063029489058451
Energy: 0.8271238103295553
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Energy: 0.8099027493805765
Energy: 0.5428714514220734
Energy: 0.834844353798248
Energy: 0.8039774387691534
Energy: 0.796896442056169
Energy: 0.8014268445196597
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Energy: 0.4949787566008815
Energy: 0.7333590490531093
Energy: 0.7756577047468007
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Energy: 0.8031892841892386
Energy: 0.5000742720292214
Energy: 0.5145293211177433
Energy: 0.8313706605287853
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Energy: 0.7836414279685215
Energy: 1.0264371647648776
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Energy: 0.5555920994152961
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Energy: 0.7187380292119202
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Energy: 0.7684420603029248
Energy: 0.6751045744198617
Energy: 0.6354743029465999
Energy: 0.6780153101871207
Energy: 0.7932578471423566
Energy: 0.6415305456063809
Energy: 0.7431101308606194
Energy: 0.7095346071257957
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Energy: 0.742225255349804
Energy: 0.7642623323280111
Energy: 0.6644053801101919
Energy: 0.49592154815440165
Energy: 0.4959515257963436
Energy: 0.791050883650955
Energy: 0.8176161169165188
Energy: 0.6676193203491065
Energy: 0.507089764814638
Energy: 0.4959381800019727
Energy: 0.6733055500364071
Energy: 0.867288507872238
Energy: 0.8138816023957683
Energy: 0.7129892346923817
Energy: 0.4957350428259349
Energy: 0.8313409617001447
Energy: 0.7907991121531937
Energy: 0.7958285316919735
Energy: 0.7064075299915252
Energy: 0.6343103412868537
Energy: 0.6632818214444964
Energy: 0.8075002762520619
Energy: 0.8003070675558834
Energy: 0.49544282583010996
Energy: 0.7727674258773721
Energy: 0.7724291870745542
Energy: 0.8028488334467051
Energy: 0.6604383676873515
Energy: 0.6054254133322233
Energy: 0.7810014897060444
Energy: 0.7644450992473558
Energy: 0.8208805305166139
Energy: 0.4971272274129521
Energy: 0.4968119130430714
Energy: 0.7983577771930714
Energy: 0.7692169298832975
Energy: 0.8166331331109652
Energy: 0.6069957512819936
Energy: 0.6090016941518047
Energy: 0.7949349351555475
Energy: 0.7990597487566239
Energy: 0.8050989333933145
Energy: 0.8132927956030039
Energy: 0.8054282760311563
Energy: 0.8048597654755127
Energy: 0.7700620106548371
Energy: 0.7737580459380886
Energy: 0.7621665339749328
Energy: 0.7720793008987159
Energy: 0.8042211566466085
Energy: 0.769048009500059
Energy: 0.8113520227869347
Energy: 0.7726395016022938
Energy: 0.8074592061164074
Energy: 0.8454021335428401
Energy: 0.7451966144395737
Energy: 0.7661101871599563
Energy: 0.43437288074112224
Energy: 0.768275372033767
Energy: 0.7679689409137185
Energy: 0.7859877615803827
Energy: 0.7492458780225258

minimum gb energy = 0.43437288074112224 eV
minimum distance =  2.65103286668951 Angstroms
sigma value = 33


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

Energy: 0.9361592774984918
Energy: 0.9017354439093279
Energy: 0.9037729954567271
Energy: 0.8985810721925859
Energy: 0.8951004612814775
Energy: 0.8963260113425187
Energy: 0.9014376452221633
Energy: 0.9011846832048288
Energy: 0.9015108837807186
Energy: 0.901871401673691
Energy: 0.9192399119491429
Energy: 0.8981099764874376
Energy: 0.8980979048524985
Energy: 0.9004005190756846
Energy: 0.8964735340851702
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Energy: 0.8971250735596679
Energy: 0.9040641289883948
Energy: 0.8903398464971979
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Energy: 0.9007004839130944
Energy: 0.8939871442614924
Energy: 0.9203990734629761
Energy: 0.8835998884922471
Energy: 0.8996335390896162
Energy: 0.8980113947865772
Energy: 0.9081217190207522
Energy: 0.8986216497041506
Energy: 0.9123196803995877
Energy: 0.9078482240466182
Energy: 0.9066346669995222
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Energy: 0.8974878477975675
Energy: 0.9101470396205525
Energy: 0.906982082438242
Energy: 0.9137787120724357
Energy: 0.9148069022993343
Energy: 0.9032248393765044
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Energy: 0.903388797824134
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Energy: 0.9063427996911475
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Energy: 0.9072707129471189
Energy: 0.9170193511351454
Energy: 0.9022391701902156
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Energy: 0.9051842188780405
Energy: 0.9042711532286485
Energy: 0.9065614555291479
Energy: 0.8968830230919986
Energy: 0.8963114645242163
Energy: 0.9058430185845486
Energy: 0.9125946447669837
Energy: 0.9071744198413748
Energy: 0.8973540517327355
Energy: 0.895848198538779
Energy: 0.9062780814591994
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Energy: 0.8939869709009515
Energy: 0.8994507400430369
Energy: 0.9102504065369447
Energy: 0.9060887311001737
Energy: 0.8988236442611138
Energy: 0.9062537182619925
Energy: 0.9204463706258743
Energy: 0.9195222201769024
Energy: 0.903964842774104
Energy: 0.9044783077630393
Energy: 0.9097727810678284
Energy: 0.9060621270334767
Energy: 0.9009837966021058
Energy: 0.9019298361490895
Energy: 0.9029045013522394
Energy: 0.9061555885900233
Energy: 0.9084148129381092
Energy: 0.9023943810213179
Energy: 0.9026796096297032
Energy: 0.901782054664239
Energy: 0.8957364416782289
Energy: 0.8946063689940094
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Energy: 0.8980217707316945
Energy: 0.9075454333567862
Energy: 0.9032834754294214
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Energy: 0.9064049056805461
Energy: 0.9040732680339241
Energy: 0.8976601579463931
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Energy: 0.8996255350705663
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Energy: 0.9098313132866468
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Energy: 0.9108830311185273
Energy: 0.8970240372929015
Energy: 0.9005034833320723
Energy: 0.9028931301522841
Energy: 0.8934675604844237
Energy: 0.9005639949666714
Energy: 0.9033005989028783
Energy: 0.9025146214529128
Energy: 0.89990281451674
Energy: 0.8932189391469846
Energy: 0.9069678137406576
Energy: 0.907798599170055
Energy: 0.9052512429646898
Energy: 0.9036786761348963
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Energy: 0.9025412954624153
Energy: 0.890184381252815
Energy: 0.9003726722526206
Energy: 0.9017361562294064
Energy: 0.8945947543912258
Energy: 0.8949147463225516
Energy: 0.8913019385047676
Energy: 0.9083463695764414
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Energy: 0.9220255693443075
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Energy: 0.8957855196562473
Energy: 0.8991674076232514
Energy: 0.9020252854538675
Energy: 0.8992907958648263
Energy: 0.906582362401767
Energy: 0.9078223106261157

minimum gb energy = 0.877599187157462 eV
minimum distance =  2.61391593351116 Angstroms
sigma value = 219


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

Energy: 1.2004925441994994
Energy: 1.2149300038299764
Energy: 1.2141261482381536
Energy: 1.2182767521154638
Energy: 1.2457564300068789
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Energy: 1.2479014020577528
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Energy: 1.195290396772447
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Energy: 1.2220234994833274
Energy: 1.224765322812056
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Energy: 1.2330304851611358
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Energy: 1.2307313480942361
Energy: 1.2336382376842376
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Energy: 1.223907271540382
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Energy: 1.2266471438199054
Energy: 1.2483110954132515
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Energy: 1.2490305432483095
Energy: 1.2299412537250167
Energy: 1.1981249370851015
Energy: 1.181742304493822
Energy: 1.200281381940298
Energy: 1.2481910221998394
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Energy: 1.2154838846397253
Energy: 1.2480685041394468
Energy: 1.2006857571237224
Energy: 1.2153134885139991
Energy: 1.2217769427654783
Energy: 1.2266104606194868
Energy: 1.2240267861552792
Energy: 1.201111752976141
Energy: 1.197303318029576
Energy: 1.2264189368350389
Energy: 1.2243706148667244
Energy: 1.2336566673226763
Energy: 1.2236673785438767
Energy: 1.201001972405332
Energy: 1.1961496427272362
Energy: 1.2247708638434942
Energy: 1.2596952675272561
Energy: 1.2237385845544109
Energy: 1.2008119551100067
Energy: 1.2162069842693952
Energy: 1.224085944228548

minimum gb energy = 1.1714442682631656 eV
minimum distance =  2.61538323858877 Angstroms
sigma value = 15


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

Energy: 1.3557222054634146
Energy: 1.3712141755120262
Energy: 1.4195970197075294
Energy: 1.3682178341760467
Energy: 1.3822298445563173
Energy: 1.3499694257133958
Energy: 1.3702916335521116
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Energy: 1.3704096079684536
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Energy: 1.3970902615554242
Energy: 1.3680657058253496
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Energy: 1.3606311650797132
Energy: 1.3666510484879784
Energy: 1.3609407553803536
Energy: 1.3592921162012626
Energy: 1.367140826375425
Energy: 1.3609060249990719
Energy: 1.3954325977702908
Energy: 1.3912161457246914
Energy: 1.359855733457045
Energy: 1.3676384717015253
Energy: 1.3602730992639647
Energy: 1.3956016398180777
Energy: 1.367077163229725
Energy: 1.4311853367898957
Energy: 1.370285609122721
Energy: 1.39155925935059
Energy: 1.3395571113002105
Energy: 1.3676225481191921
Energy: 1.3999684091052222
Energy: 1.369872152543874
Energy: 1.3608746614878764
Energy: 1.3954694058436676
Energy: 1.3901854858005156
Energy: 1.3363097020963084
Energy: 1.3334508170139943
Energy: 1.3670417077470158
Energy: 1.3642699646704877
Energy: 1.3888399911542129
Energy: 1.3365660204918224
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minimum gb energy = 1.3312583152349895 eV
minimum distance =  2.59426317662777 Angstroms
sigma value = 293


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

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Energy: 1.339700772223058
Energy: 1.4292923674105147
Energy: 1.3307013236840397
Energy: 1.4418105664642615
Energy: 1.3447534717114458
Energy: 1.3566056228440688
Energy: 1.364076430929422
Energy: 1.3292288017223899
Energy: 1.3707923758264544
Energy: 1.3475907829094806
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Energy: 1.3606415603700681
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Energy: 1.3755882284389258
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Energy: 1.3630205498982093
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Energy: 1.3871363686605094
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Energy: 1.3598570335595266
Energy: 1.3838845845211447
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Energy: 1.3693546575671784
Energy: 1.3689837842595602
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Energy: 1.4157467470494847
Energy: 1.3792338039277634
Energy: 1.3871549159767653
Energy: 1.4136525821214627
Energy: 1.3711517318843687
Energy: 1.3851683566994735
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Energy: 1.380166168546451
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Energy: 1.3423387361944847
Energy: 1.329065932894008
Energy: 1.3284410603716499
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Energy: 1.3494239553628418
Energy: 1.4100680418946296
Energy: 1.33606503206224
Energy: 1.335398413717791
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Energy: 1.359304069647495
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Energy: 1.357804450474459
Energy: 1.3785161362081448
Energy: 1.3917192053735423
Energy: 1.3769702477506687
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Energy: 1.3571093295142138
Energy: 1.3629271765626398
Energy: 1.3922290746554482
Energy: 1.3718668156121443
Energy: 1.3548456716483606
Energy: 1.3664336016137164
Energy: 1.393500741097543
Energy: 1.3908574279574573
Energy: 1.3442869835891786
Energy: 1.3735887025133038
Energy: 1.3656684592031512
Energy: 1.4478797876856526
Energy: 1.3756879531629065
Energy: 1.3527404283940891
Energy: 1.459402857591263
Energy: 1.362908054728688
Energy: 1.3650520708589555
Energy: 1.3761904267247689
Energy: 1.3515263214758804
Energy: 1.3714932689889259
Energy: 1.361353506297298
Energy: 1.3624268405070075
Energy: 1.386774134724096
Energy: 1.3543338287578879
Energy: 1.364963292500833
Energy: 1.3823815006705416
Energy: 1.3614932473015335
Energy: 1.3856493734279671
Energy: 1.3762560537961592
Energy: 1.3660703174536077
Energy: 1.384064314634335
Energy: 1.3603065729400798
Energy: 1.375923737743822
Energy: 1.372449186811098
Energy: 1.3856417206232974
Energy: 1.40903875201959
Energy: 1.3844342454648344
Energy: 1.3591374038504382
Energy: 1.3603076767407682
Energy: 1.3711815196371122
Energy: 1.414998137344884
Energy: 1.3778638932308378
Energy: 1.359892942626998
Energy: 1.3600223918113559
Energy: 1.3706412859237824
Energy: 1.3838068251819315
Energy: 1.3714328126313078
Energy: 1.3990717906668741
Energy: 1.4062826785126215
Energy: 1.3527617731878332
Energy: 1.3850562051543915
Energy: 1.3755812553826927
Energy: 1.4153204476360335
Energy: 1.4004978103279992
Energy: 1.3835849004537657
Energy: 1.409285295025458
Energy: 1.3540132428481644
Energy: 1.3856140031115245
Energy: 1.4204828962598075
Energy: 1.3638767385707384
Energy: 1.4128712673389414
Energy: 1.4732131424408972
Energy: 1.3765400242764594
Energy: 1.4520588807851738
Energy: 1.3597097076702602
Energy: 1.3875348062750428
Energy: 1.3865293841159425
Energy: 1.3539679364114448
Energy: 1.4532139558959536
Energy: 1.4295214425027203
Energy: 1.35786696738415
Energy: 1.3770392338953268
Energy: 1.3901913489392972
Energy: 1.4537778863332549

minimum gb energy = 1.3284410603716499 eV
minimum distance =  2.56043120809049 Angstroms
sigma value = 293


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

Energy: 1.3349593788742449
Energy: 1.3522645869768175
Energy: 1.4438722285968177
Energy: 1.3502878255049426
Energy: 1.3434571772165798
Energy: 1.335500857882343
Energy: 1.3528402430726656
Energy: 1.4436972612670462
Energy: 1.3506082073881729
Energy: 1.3431158495975453
Energy: 1.4418057810137594
Energy: 1.3524114963800113
Energy: 1.3529997317863673
Energy: 1.352778814344509
Energy: 1.3532175145112453
Energy: 1.4404699589891683
Energy: 1.3516401234473214
Energy: 1.3422033744176884
Energy: 1.352161895958405
Energy: 1.352654708052606
Energy: 1.351146798431872
Energy: 1.35131413795918
Energy: 1.3497543412662945
Energy: 1.3510157212045175
Energy: 1.4370913453413083
Energy: 1.351960802021102
Energy: 1.3521657266891116
Energy: 1.3502719242492656
Energy: 1.4435211787603273
Energy: 1.4391507172071312
Energy: 1.4420861511442016
Energy: 1.33684303213814
Energy: 1.3416274131997334
Energy: 1.3522667003861129
Energy: 1.439521100782489
Energy: 1.4422394935965739
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Energy: 1.3371263951578474
Energy: 1.3508973370844024
Energy: 1.3434632135851392
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Energy: 1.3362925270830581
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Energy: 1.3527656946044766
Energy: 1.353222658098631
Energy: 1.4440536236794455
Energy: 1.3356594501540164
Energy: 1.3530828387476568
Energy: 1.352891523080105
Energy: 1.3539426099329979
Energy: 1.352269029311728
Energy: 1.4362778915610874
Energy: 1.3511292317843295
Energy: 1.3356505062338389
Energy: 1.343723697887886
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Energy: 1.3501735850153056
Energy: 1.3353645529618212
Energy: 1.3440796108653248
Energy: 1.3513356515075565
Energy: 1.3416725661200835
Energy: 1.3526094727862692
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Energy: 1.4413742501729687
Energy: 1.3520453563499528
Energy: 1.353152917541059
Energy: 1.3529588883875872
Energy: 1.3387121426462567
Energy: 1.4439304227100775
Energy: 1.3502589323918848
Energy: 1.3496539889869903
Energy: 1.434167178865008
Energy: 1.4439528171003624
Energy: 1.349357682969184
Energy: 1.3495680898116418
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Energy: 1.3377908885270107
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Energy: 1.3523917460352153
Energy: 1.443079738541203
Energy: 1.3388804990928913
Energy: 1.3535141870807523
Energy: 1.3358294301165103
Energy: 1.445427645036462
Energy: 1.4420546361767748
Energy: 1.3351383496465508
Energy: 1.3524097718639336
Energy: 1.444449821879152
Energy: 1.350014834670332
Energy: 1.3434915207679787
Energy: 1.336000746592399
Energy: 1.352938689054784
Energy: 1.4451260055097435
Energy: 1.3504096939269674
Energy: 1.3432225602065395
Energy: 1.4422437430107533
Energy: 1.352653138790003
Energy: 1.3530008125108275
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Energy: 1.351890398787748
Energy: 1.3419101962924944
Energy: 1.3523240047076839
Energy: 1.352613343502903
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Energy: 1.3512844593795594
Energy: 1.3496304970746422
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Energy: 1.436799618843894
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Energy: 1.4389237904187917
Energy: 1.4421360289105156
Energy: 1.3370229983379422
Energy: 1.341467942195936
Energy: 1.3519748118281367
Energy: 1.4397885968789674
Energy: 1.4422169159345795
Energy: 1.3362106808878513
Energy: 1.3426670277073767
Energy: 1.3514881144258062
Energy: 1.4381063429904475
Energy: 1.3506844340288995
Energy: 1.3429994359104436
Energy: 1.3358891285876373
Energy: 1.3519425161085363
Energy: 1.3511099231778214
Energy: 1.3516500169097494
Energy: 1.3423837230199636
Energy: 1.3366530620584511
Energy: 1.3529338352069449
Energy: 1.3521632384908968
Energy: 1.3519436993652045
Energy: 1.442732133249564
Energy: 1.3529229857404876
Energy: 1.3511670246759278
Energy: 1.3429436300809205
Energy: 1.3511799469193888
Energy: 1.44262981327446
Energy: 1.3524182113683738
Energy: 1.3502938614114273
Energy: 1.3433890484594462
Energy: 1.4447037640971814
Energy: 1.3366080929066129
Energy: 1.3526861589644277
Energy: 1.352719321144917
Energy: 1.3532667843221329
Energy: 1.4471134778594326
Energy: 1.3359637838930778
Energy: 1.3530855721214587
Energy: 1.35291715749602
Energy: 1.3539667257627632
Energy: 1.3525023252131088
Energy: 1.4363598207171255
Energy: 1.3520104020721035
Energy: 1.335812775832679
Energy: 1.343699704780527
Energy: 1.3528390145089049
Energy: 1.434303535494095
Energy: 1.3502740187279354
Energy: 1.335446262728164
Energy: 1.343623342897275
Energy: 1.3510734979719725
Energy: 1.3418989966883368
Energy: 1.3524853763096267
Energy: 1.3404271966843357
Energy: 1.4419372710438418
Energy: 1.3520025741470412
Energy: 1.3532087917115911
Energy: 1.3526218570236144
Energy: 1.3388662439547991
Energy: 1.352878333363056
Energy: 1.3502712634351035
Energy: 1.3498699343387226
Energy: 1.434189111495598
Energy: 1.4441817834699273
Energy: 1.34953966238633
Energy: 1.349742680689156
Energy: 1.3496703296352826
Energy: 1.4339487838337888
Energy: 1.3535149968188749
Energy: 1.3494904554729559
Energy: 1.337458033148624
Energy: 1.3536616669027437
Energy: 1.3497265035279735
Energy: 1.443408433226603
Energy: 1.4430433423112052
Energy: 1.3386115020967984
Energy: 1.3534927208090664
Energy: 1.335765118364724
Energy: 1.4434744930469683
Energy: 1.4420217722915527

minimum gb energy = 1.3349593788742449 eV
minimum distance =  2.58438628426323 Angstroms
sigma value = 15


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

Energy: 1.2929841741510701
Energy: 1.3553534719977787
Energy: 1.4322693607225294
Energy: 1.3726073891815198
Energy: 1.4206856476143246
Energy: 1.295590099310737
Energy: 1.387239272145405
Energy: 1.4459719659282384
Energy: 1.4267639821614329
Energy: 1.2938355886121504
Energy: 1.299018554474281
Energy: 1.3975303779433788
Energy: 1.324321789248033
Energy: 1.3302280233645412
Energy: 1.386638435280088
Energy: 1.2898955687112355
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Energy: 1.3234566539691581
Energy: 1.4040864094699692
Energy: 1.4010230465528206
Energy: 1.4442802540119042
Energy: 1.3118874097339837
Energy: 1.2955880447606025
Energy: 1.378120420460936
Energy: 1.3735203839673495
Energy: 1.4315091200788383
Energy: 1.3430643219883291
Energy: 1.294637181665924
Energy: 1.360455796086079
Energy: 1.295034579901132
Energy: 1.3006504641948384
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Energy: 1.3453761587618287
Energy: 1.4292493529183086
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Energy: 1.3977932711322183
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Energy: 1.2930638361624345
Energy: 1.474196752859007
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Energy: 1.3279196426778368
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Energy: 1.352389349504331
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Energy: 1.435202199623332
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Energy: 1.2906287402517234
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Energy: 1.3000921553610316
Energy: 1.3384465707970612
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Energy: 1.2923927844622438
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Energy: 1.3111808174756292
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Energy: 1.3149305208575615
Energy: 1.5200460962025262
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Energy: 1.3876540047237114
Energy: 1.2859065815529382
Energy: 1.402202651331617
Energy: 1.3123653542018252
Energy: 1.3662988267321603
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Energy: 1.285334317563167
Energy: 1.407319427527727
Energy: 1.4532658675178372
Energy: 1.3547226194500783
Energy: 1.2992329225179604
Energy: 1.3696573627945634
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Energy: 1.3004914408928274
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Energy: 1.4023110547387168
Energy: 1.4268732369773391
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Energy: 1.3345455758481537
Energy: 1.3260880243497362
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Energy: 1.376659484081571
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Energy: 1.3224536326096064
Energy: 1.3415681801670611
Energy: 1.2859768295312821
Energy: 1.286846805555633
Energy: 1.4266952842049967
Energy: 1.29473119522119
Energy: 1.3408087186664752
Energy: 1.3140030584664122
Energy: 1.288755598443687
Energy: 1.3394010692701983
Energy: 1.2975431411304903
Energy: 1.489074103326443
Energy: 1.431475035568918
Energy: 1.312127983273617
Energy: 1.339058964802482
Energy: 1.2954056323966223
Energy: 1.485091125481455
Energy: 1.4305675109787412
Energy: 1.3129001201641028
Energy: 1.3385701343214758
Energy: 1.3360626054905342
Energy: 1.2902734840299617
Energy: 1.3268101292567662
Energy: 1.3266103479479439
Energy: 1.3538998906978137
Energy: 1.2887816160412726
Energy: 1.2938956268574853
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Energy: 1.3332883452055533
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Energy: 1.5080676803427069
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Energy: 1.2800040618043944
Energy: 1.3651784256352608
Energy: 1.298325478977133
Energy: 1.508002102607876
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Energy: 1.3651645029876947
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Energy: 1.2910350089883946
Energy: 1.3079791643397167
Energy: 1.314332689551833
Energy: 1.2921620988013283
Energy: 1.3001500651741262
Energy: 1.291207155538234
Energy: 1.2839351163985822
Energy: 1.2989377790790373
Energy: 1.291330793581191
Energy: 1.3019091768725901
Energy: 1.3276313483067392
Energy: 1.3256889167198165
Energy: 1.3476045074102634
Energy: 1.2949279206410216
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Energy: 1.2907366245411533
Energy: 1.3359970476153644
Energy: 1.3498977000710892
Energy: 1.2941136544499212
Energy: 1.2965046356509382
Energy: 1.396537324505845
Energy: 1.360893928723436
Energy: 1.309608107456538
Energy: 1.298817983853904
Energy: 1.317633080882292
Energy: 1.3750326597613574
Energy: 1.2883966676411756
Energy: 1.3110218572050512
Energy: 1.2781418879005009
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Energy: 1.2888577832558636
Energy: 1.2856040478625468
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Energy: 1.2928406289576526
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Energy: 1.2924448824732706
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Energy: 1.3421860769308351
Energy: 1.3434315334306777
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Energy: 1.2899277075918423
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Energy: 1.3043470174652028
Energy: 1.349104851500157
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Energy: 1.315728659796936
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Energy: 1.2961385837894823
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Energy: 1.4136985844469911
Energy: 1.4326664817757766
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Energy: 1.4439094246859894
Energy: 1.2884220590807092
Energy: 1.2955127456295055
Energy: 1.4265622089493406
Energy: 1.5190747843829449
Energy: 1.2936357788447375
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Energy: 1.4692010993064735
Energy: 1.5114865834428708
Energy: 1.4326862836521685
Energy: 1.2945672904223677
Energy: 1.2934834690814894
Energy: 1.4695206897436421
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Energy: 1.2975008631516625
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Energy: 1.2929703286987726
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Energy: 1.2922424260020278
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Energy: 1.2924657999339195
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Energy: 1.393377799600402
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Energy: 1.308779917925738
Energy: 1.3912197815044032
Energy: 1.2918160635773832
Energy: 1.4315297245126122
Energy: 1.366546807331213
Energy: 1.2779755339500392
Energy: 1.3358935863157462
Energy: 1.2839109067575754
Energy: 1.2931529483182016
Energy: 1.3397646369763736
Energy: 1.2781659578404125
Energy: 1.334377833496859
Energy: 1.283409284404125
Energy: 1.293791298043065
Energy: 1.436915046624658
Energy: 1.339802309351483
Energy: 1.2861179948466666
Energy: 1.3114656713149195
Energy: 1.315321827389819
Energy: 1.4079677424524222
Energy: 1.289191137642807
Energy: 1.3121300099271762
Energy: 1.3107133742354353
Energy: 1.292332233997701
Energy: 1.5011392205100735
Energy: 1.4556580458803519
Energy: 1.2848209127064554
Energy: 1.286454898431224
Energy: 1.3384454000335089
Energy: 1.499393866940871
Energy: 1.4552210629951097
Energy: 1.2850538449469564
Energy: 1.285058659150926
Energy: 1.3936795702863245
Energy: 1.408653007070163
Energy: 1.287337370208115
Energy: 1.2974689297283213
Energy: 1.368411737981979
Energy: 1.333132477451904
Energy: 1.4280539484007815
Energy: 1.285914853405003
Energy: 1.2962048222935154
Energy: 1.3687124051276662
Energy: 1.3347042514164127
Energy: 1.2952309204716195
Energy: 1.402943062126733
Energy: 1.3746880293888382
Energy: 1.2978190856221377
Energy: 1.2975263547891707
Energy: 1.2957451318139184
Energy: 1.3757786128889853
Energy: 1.2956833831469323
Energy: 1.2979195422660508
Energy: 1.2954569327802195
Energy: 1.338089671768981
Energy: 1.3797933648276264
Energy: 1.2871074216969263
Energy: 1.3422679554911523
Energy: 1.3671071406293887
Energy: 1.340734658801204
Energy: 1.284933477453071
Energy: 1.2880846961232204
Energy: 1.3001593576922765
Energy: 1.366843410853795
Energy: 1.5304426797435366
Energy: 1.4524449039956895
Energy: 1.312504258092782
Energy: 1.45087809389707
Energy: 1.3199295205134915
Energy: 1.4860735763587116
Energy: 1.4290332540189863
Energy: 1.3130384050092956
Energy: 1.4241513895294824
Energy: 1.3285944025853313
Energy: 1.2938608424930145
Energy: 1.3807071530974584
Energy: 1.4274646102629611
Energy: 1.351404720414362
Energy: 1.4279369781463083
Energy: 1.2924954287591912
Energy: 1.3959751913435239
Energy: 1.4283451224024293
Energy: 1.3476282174832626
Energy: 1.286872920043668
Energy: 1.4817585517480252
Energy: 1.5195727065228901
Energy: 1.5161535351505553
Energy: 1.3520433993112644
Energy: 1.2964300200530563
Energy: 1.4521000228911138
Energy: 1.5282256122861189
Energy: 1.5196406639951907
Energy: 1.3145936217852427
Energy: 1.295492610245067
Energy: 1.2910783573819404
Energy: 1.3465662324178564
Energy: 1.336152553906825
Energy: 1.2917986272118664
Energy: 1.2991155376381684
Energy: 1.2907244727355833
Energy: 1.3342121561383913
Energy: 1.3015723872991616
Energy: 1.2918163457887917
Energy: 1.2998648213815935
Energy: 1.2957776961473422
Energy: 1.291112921766468
Energy: 1.3824647232290879
Energy: 1.294136708014118
Energy: 1.295449107548491
Energy: 1.3714284509082555
Energy: 1.2916199305507121
Energy: 1.3613951130472015
Energy: 1.2931067313435016
Energy: 1.2964395474139738
Energy: 1.3758864563971092
Energy: 1.2885443438737443
Energy: 1.2921605288806206
Energy: 1.3143744479181863
Energy: 1.3730132785438718
Energy: 1.369604255622098
Energy: 1.2888662381839702
Energy: 1.3007819491644304
Energy: 1.3134359007690455
Energy: 1.3953716244807033
Energy: 1.2989782219681798
Energy: 1.2969571570651772
Energy: 1.3690762486400505
Energy: 1.504738558928104
Energy: 1.3042144315329625
Energy: 1.2895107029087614
Energy: 1.289407623929357
Energy: 1.39046208180003
Energy: 1.3239368353714573
Energy: 1.3082912134737696
Energy: 1.3040460384482153
Energy: 1.2940008186926284
Energy: 1.3007835787016278
Energy: 1.2911802103091803
Energy: 1.2861683498623915
Energy: 1.2922212337264722
Energy: 1.3113298134060756
Energy: 1.2926330865637532
Energy: 1.2917965147542565
Energy: 1.2941588687372838
Energy: 1.299777765872778
Energy: 1.2889496633568602
Energy: 1.3131335619398157
Energy: 1.4967389715357313
Energy: 1.4599184771849494
Energy: 1.2926310395301492
Energy: 1.341932221141636
Energy: 1.313223433111491
Energy: 1.4058918786501011
Energy: 1.4101019639715522
Energy: 1.2930586261669648
Energy: 1.4411214581191552
Energy: 1.35059300788194
Energy: 1.325968245468134
Energy: 1.2759499075618228
Energy: 1.2980242078161621
Energy: 1.457646281266769
Energy: 1.2935033631387038
Energy: 1.3746576888783173
Energy: 1.2788187297294846

minimum gb energy = 1.275613721973708 eV
minimum distance =  2.56053692163239 Angstroms
sigma value = 437


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

Energy: 1.3071639663483288
Energy: 1.2406523681928634
Energy: 1.2083042414275929
Energy: 1.3223166299443811
Energy: 1.1643923087081922
Energy: 1.2852943704816815
Energy: 1.239572164153154
Energy: 1.3465057879771776
Energy: 1.162250316569086
Energy: 1.2940230573983393
Energy: 1.1604267199719571
Energy: 1.3584279711831704
Energy: 1.1577734406938243
Energy: 1.4483266686887597
Energy: 1.162790410458081
Energy: 1.1593212168828233
Energy: 1.359844536246459
Energy: 1.1589877093936907
Energy: 1.357724483793528
Energy: 1.1634317130873586
Energy: 1.3005453685713282
Energy: 1.317995092271783
Energy: 1.2227269809623154
Energy: 1.2092391120139367
Energy: 1.1617077030649738
Energy: 1.2973708079152324
Energy: 1.3193566772888814
Energy: 1.2226601902285115
Energy: 1.21033637554386
Energy: 1.161479992730116
Energy: 1.2116374313061213
Energy: 1.2140734764577203
Energy: 1.3666139271837874
Energy: 1.2969851491157998
Energy: 1.1594393678217945
Energy: 1.2129761315033383
Energy: 1.2082795348169637
Energy: 1.3666269114771072
Energy: 1.2972140233136884
Energy: 1.2222924290185424
Energy: 1.3028604281811702
Energy: 1.2376551023631477
Energy: 1.1726954441156334
Energy: 1.1786380527686326
Energy: 1.2888662725171331
Energy: 1.177735996810784
Energy: 1.2376197569208383
Energy: 1.1726750923388676
Energy: 1.176877284162804
Energy: 1.2874509962851766
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Energy: 1.2232536779014669
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Energy: 1.3114496988016828
Energy: 1.1786569881111482
Energy: 1.2852684971432204
Energy: 1.3006536497937276
Energy: 1.2980506445186255
Energy: 1.2977348521364476
Energy: 1.2065928376680712
Energy: 1.2224006529434055
Energy: 1.2991732221550434
Energy: 1.2978251218001347
Energy: 1.2980296189398743
Energy: 1.3477711719866041
Energy: 1.2226786371348375
Energy: 1.3114296022229972
Energy: 1.1602878854440604
Energy: 1.1647858141906553
Energy: 1.2083780540356115
Energy: 1.3605068591228768
Energy: 1.3179606388220109
Energy: 1.158507045154911
Energy: 1.1649274231389204
Energy: 1.2110068171494193
Energy: 1.360048448625449
Energy: 1.2116375736119558
Energy: 1.366520720001306
Energy: 1.2401545057404422
Energy: 1.1591773378952952
Energy: 1.211209277011367
Energy: 1.2100178748110604
Energy: 1.3667581690104882
Energy: 1.2392079480785185
Energy: 1.2264695856201322
Energy: 1.2086190894804243
Energy: 1.245775155027033
Energy: 1.308473037750322
Energy: 1.1589172874539817
Energy: 1.4424526885218758
Energy: 1.2395298204952119
Energy: 1.1782911485100847
Energy: 1.1701249882727904
Energy: 1.1593277231284536
Energy: 1.4415397151514622
Energy: 1.2395727198524151
Energy: 1.161098637491687
Energy: 1.1594524698660356
Energy: 1.2406602049083317
Energy: 1.285497934220778
Energy: 1.1675507333113717
Energy: 1.1593517658492012
Energy: 1.159183648185581
Energy: 1.2410493105584188
Energy: 1.2866136164947075
Energy: 1.2149761834896817
Energy: 1.1634826094105468
Energy: 1.15797895652177
Energy: 1.1579806452752333
Energy: 1.3281942333422938
Energy: 1.1610615940114721
Energy: 1.1633634040200036
Energy: 1.1573744333513631
Energy: 1.1580072330876667
Energy: 1.366713966072011
Energy: 1.1604431767429289
Energy: 1.1605414814909418
Energy: 1.1688781875796286
Energy: 1.2216237433552761
Energy: 1.3667497304029759
Energy: 1.240899396410944
Energy: 1.1626273114244507
Energy: 1.1659278197368486
Energy: 1.2242748246846233
Energy: 1.3585282104456937
Energy: 1.1608252464310875
Energy: 1.1608468066992157
Energy: 1.2437715677026788
Energy: 1.4833730222889692
Energy: 1.159243309564642
Energy: 1.163860306341106
Energy: 1.43265864563575
Energy: 1.242185305163073
Energy: 1.374059625939866
Energy: 1.1599543448606366
Energy: 1.2414120523876038

minimum gb energy = 1.1573744333513631 eV
minimum distance =  2.63005661121807 Angstroms
sigma value = 33