Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6131481304764748
cohesive_energy=3.4950398727056187
mass=63.546
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=[1.7089136413570798e-19, 2.3514505586564397e-19, 2.8382719288973397e-19, 3.2335449262714797e-19, 3.56495516301438e-19, 3.8515364975379595e-19, 4.10072302942398e-19, 4.3186350734143193e-19, 4.51022335530804e-19, 4.6790767507653e-19, 4.827838851232199e-19, 4.95870463869732e-19, 5.07375694278486e-19, 5.1752868760814395e-19, 5.26353476508216e-19, 5.339542024599119e-19, 5.40420587354736e-19, 5.45831137847754e-19, 5.50320436776222e-19, 5.53890086316774e-19, 5.565897539450639e-19, 5.5846590278347795e-19, 5.59564995954402e-19, 5.59923883520418e-19, 5.59581017720742e-19, 5.58393804834948e-19, 5.56194016316466e-19, 5.527974018523859e-19, 5.47981258890582e-19, 5.414924435228819e-19, 5.33050574838336e-19, 5.222166564392279e-19, 5.08510035335358e-19, 4.913715518814599e-19, 4.7027889649485e-19, 4.44128169474702e-19, 4.1178022323424195e-19, 3.7178348574306596e-19, 3.22274625575832e-19, 2.60941701849678e-19, 1.8465406142176798e-19, 8.908694890394579e-20, -3.1497831318459594e-20, -1.8480466602536398e-19, -3.82053437967006e-19, -6.391899703109339e-19, -9.79836755348844e-19, -1.440625959640512e-18, -2.07973742329638e-18, -2.9946443683757396e-18, -4.3578403356482994e-18, -6.5013604107442196e-18, -1.013230922931306e-17, -1.6990282115252998e-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: 0.015265226444181457
Energy: 0.14662734990396117
Energy: 0.1465730696876683
Energy: 0.14552468776721925
Energy: 0.020053369606918954
Energy: 0.0170691769694069
Energy: 0.146116099889949
Energy: 0.14755884822378734
Energy: 0.14497579451087902
Energy: 0.021004351350112832
Energy: 0.14353500382102236
Energy: 0.15159986294221528
Energy: 0.14630962708005193
Energy: 0.1471920539586087
Energy: 0.14650925217170044
Energy: 0.14363426884147806
Energy: 0.15095566274651875
Energy: 0.1459852810314098
Energy: 0.14816225476562925
Energy: 0.14587343690179425
Energy: 0.14678645611214658
Energy: 0.020080019637269374
Energy: 0.015869120518920712
Energy: 0.14424665760411
Energy: 0.145635711910163
Energy: 0.145697197904916
Energy: 0.01899539832823477
Energy: 0.015837729782910565
Energy: 0.14339043351254877
Energy: 0.14659658882935245
Energy: 0.14583575184548386
Energy: 0.017330857672038485
Energy: 0.017253649230683888
Energy: 0.14911770334224642
Energy: 0.14364241130687866
Energy: 0.1463770599889617
Energy: 0.017897008752545147
Energy: 0.016074002997415886
Energy: 0.14542287018413902
Energy: 0.14341241275096772
Energy: 0.14513943044560404
Energy: 0.14457376627026292
Energy: 0.14772099221043153
Energy: 0.01770077517471144
Energy: 0.016183865502596543
Energy: 0.14443772427013316
Energy: 0.14530123533250136
Energy: 0.14727151005166436
Energy: 0.018853199852223446
Energy: 0.14809644314172316
Energy: 0.14713871011104945
Energy: 0.14400357138492034
Energy: 0.14507451168997912
Energy: 0.016552160072831584
Energy: 0.016155308421579896
Energy: 0.1481332188095667
Energy: 0.14359153090648913
Energy: 0.14562916640940093
Energy: 0.01735903977367378
Energy: 0.016311338343702717
Energy: 0.016351987673504733
Energy: 0.14822156920988241
Energy: 0.14543277145792688
Energy: 0.14771915650973266
Energy: 0.14933471206310492
Energy: 0.02208168259460397
Energy: 0.1491988523508581
Energy: 0.1448347503237488
Energy: 0.1487788196813765
Energy: 0.14804670916929455

minimum gb energy = 0.015265226444181457 eV
minimum distance =  2.51555086190954 Angstroms
sigma value = 3


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

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Energy: 1.18507255267167
Energy: 1.3422699082531615
Energy: 1.1834565715475909
Energy: 1.2203537459447322
Energy: 1.213753223575259
Energy: 1.1850340922561649
Energy: 1.345961784988093
Energy: 1.24793040032961
Energy: 1.320388149375836
Energy: 0.9427946326791137
Energy: 1.1476046802531883
Energy: 1.3539087838725261
Energy: 1.1828076329650927
Energy: 0.9437000634974378
Energy: 0.9446229680410725
Energy: 1.205789428923626
Energy: 1.3455384069150385
Energy: 1.2956080416826907
Energy: 0.9447233367421262
Energy: 1.2019675976908584
Energy: 1.3345779344342488
Energy: 1.1737515762344044
Energy: 0.940576380015297
Energy: 0.9432942141931033
Energy: 0.9399269431620022
Energy: 1.3361256581553789
Energy: 1.1718273575950657
Energy: 0.9404633425424438
Energy: 0.943131817200856
Energy: 0.9416164982314312
Energy: 1.344500948587283
Energy: 1.31576151648212
Energy: 0.9395972682981126
Energy: 0.9441381155407985
Energy: 0.9413214544447047
Energy: 1.2969055965683023
Energy: 1.1754742022032119
Energy: 1.0837015034860806
Energy: 0.9432431116931531
Energy: 1.2759375032693792
Energy: 1.321661836232996
Energy: 1.3632028231992026
Energy: 1.090892941292368
Energy: 0.9457281728513598
Energy: 1.1837224197409792
Energy: 1.317749354598408
Energy: 1.3388333662416125
Energy: 1.0719712618949637
Energy: 0.948231335343064
Energy: 1.3159519448432744
Energy: 1.3227641671954915
Energy: 1.3185418544636847
Energy: 1.2146657418350886
Energy: 1.1082186542685686
Energy: 1.3156142481682458
Energy: 1.3219066284862035
Energy: 1.1088023423830107
Energy: 1.070793352441489
Energy: 1.1072093468112878
Energy: 1.4132305140528172
Energy: 1.34167452257196
Energy: 1.0991858944017827
Energy: 0.9470632877240891
Energy: 1.310116638183809
Energy: 1.405993213754942
Energy: 1.2312207006631175
Energy: 0.9464713268555326
Energy: 1.070201445855006
Energy: 1.2097218358455624
Energy: 1.4105789121908268
Energy: 1.3142121665590691
Energy: 1.1802702938011498
Energy: 1.2935831119732235
Energy: 1.3166560175335509
Energy: 1.4117602750882403
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Energy: 1.218851642153225
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Energy: 1.238599227836074
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Energy: 0.9333200596384305
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Energy: 1.0733070706216377
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Energy: 1.077362116843261
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Energy: 1.3691491456348268
Energy: 1.2956937710526084
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Energy: 1.0768555170323868
Energy: 1.091103491793234
Energy: 1.4103211417772676
Energy: 1.265017767783455
Energy: 1.3150087587210944
Energy: 1.2137052211935484
Energy: 1.3085134521101076
Energy: 1.3135025124951925
Energy: 1.4090386951989777
Energy: 1.2886520608963143
Energy: 1.286287911006655
Energy: 1.3118322592344016
Energy: 1.408963679892892
Energy: 1.3090218983848936
Energy: 1.2188830828736785
Energy: 0.9331765693892414
Energy: 1.234050670557209
Energy: 1.4155325505424534
Energy: 1.4162515017991912
Energy: 1.0891223289184966
Energy: 1.0946252566094419
Energy: 1.3318425470155502
Energy: 1.4133526225470692
Energy: 1.3189615498138065
Energy: 1.0755338674347932
Energy: 1.0758044190454983
Energy: 1.1713949341400511
Energy: 1.1718613085232965
Energy: 1.1171677452998618
Energy: 1.0824509195623302
Energy: 1.0138954569839043
Energy: 1.1728764476558111
Energy: 1.1798521623787817
Energy: 1.2007994058366311
Energy: 1.0817968282056463
Energy: 1.08033006130719
Energy: 1.1812836899861028
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Energy: 1.0159055195570654
Energy: 1.1707965680587722
Energy: 1.1093682102492959
Energy: 1.1745809428038883
Energy: 1.173697656118733
Energy: 1.0739831316654336
Energy: 1.1712210170998971
Energy: 1.1844873921187928
Energy: 1.4078276091049906
Energy: 1.3563975173504819
Energy: 1.073071650239355
Energy: 1.078028325221776
Energy: 1.2242758943936511
Energy: 1.4120604591709516
Energy: 1.1083418801619385
Energy: 1.075822567249419
Energy: 1.0793810089654667
Energy: 1.3149543183351513
Energy: 1.3252975112567396
Energy: 1.1077913089830118
Energy: 1.0774492454498223
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Energy: 1.3282696325213796
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Energy: 1.1043015558914069
Energy: 1.4080030369471348
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Energy: 1.0987898436592933
Energy: 1.0739967831550454
Energy: 1.3340158013847254
Energy: 1.4034645973889501
Energy: 1.4082851106193486
Energy: 0.9503634841604461
Energy: 1.0806574710347634
Energy: 1.3671197423046473
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Energy: 1.3100209918799801
Energy: 1.21820500492624
Energy: 1.1956425006768774
Energy: 1.3163337167082971
Energy: 1.4080891364947348
Energy: 1.308038118397249
Energy: 1.1484617404645006
Energy: 1.2938922781676894
Energy: 1.3662543159058338
Energy: 1.408755161900347
Energy: 1.3213112498852193
Energy: 0.9342933065928822
Energy: 1.3122582099651374
Energy: 1.3047399526025418
Energy: 1.4121669147919487
Energy: 1.23384790535728
Energy: 0.9604387760510978
Energy: 1.1182805877282342
Energy: 1.3051936217296058
Energy: 1.2936410903104831
Energy: 1.1093777944038448
Energy: 1.076493853386049
Energy: 1.2005440734713668
Energy: 1.172178993955424
Energy: 1.1047511139291513
Energy: 0.9476188358817617
Energy: 1.077273595365531
Energy: 0.9977948871136195
Energy: 1.1737287635660583
Energy: 1.1240643015823015
Energy: 1.0732600917242001
Energy: 0.9443535649865786
Energy: 1.053250334501346
Energy: 1.175390379548812
Energy: 1.1897698090071076
Energy: 1.0771330099084988
Energy: 1.0779898593748412
Energy: 1.0553447272553407
Energy: 1.1729693522951936
Energy: 1.1045677451071292
Energy: 1.083717438615164
Energy: 1.0780997945227795
Energy: 1.420851948721178
Energy: 1.3382168191372565
Energy: 0.9418740061382684
Energy: 0.9473305586876735
Energy: 1.2215845222053974
Energy: 1.408678590696622
Energy: 1.3356232004246529
Energy: 1.4168010520188061
Energy: 1.3240652880283645
Energy: 1.105116392828946
Energy: 1.328373805841784
Energy: 1.3146336926510727
Energy: 1.1049414580383174
Energy: 0.9433141741890926
Energy: 1.105947651528895
Energy: 1.3262321027379467
Energy: 1.3150972126674187
Energy: 0.9434543332287033
Energy: 0.944696377627969
Energy: 1.3440639644566605
Energy: 1.1831800168903899
Energy: 1.1842796063432965
Energy: 0.9473822255418446
Energy: 0.9449016832725143
Energy: 1.3471631585406827
Energy: 1.300112507361855
Energy: 1.2264534989914506
Energy: 1.3176848929383576
Energy: 1.1846886633155482
Energy: 1.3433749159203814
Energy: 1.1825896878786737
Energy: 1.2202795943102485
Energy: 1.2132264366371117
Energy: 1.1852868210522491
Energy: 1.3437391775396879
Energy: 1.1852806381080958
Energy: 1.2178101171993498

minimum gb energy = 0.9331765693892414 eV
minimum distance =  2.18079743836961 Angstroms
sigma value = 75


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

Energy: 3.3392075741368608
Energy: 1.4488653618360108
Energy: 1.4501065579972596
Energy: 1.4492568931901022
Energy: 1.398122393177628
Energy: 1.4000841278019058
Energy: 1.4494865376261263
Energy: 1.2725384601388274
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Energy: 1.2719455998596023
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Energy: 1.4571220500005377
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Energy: 1.325002697990003
Energy: 1.317107143032027
Energy: 1.2781510418327149
Energy: 1.5487775482526096
Energy: 1.5231694555377309
Energy: 1.2851319428524397
Energy: 1.3361999310022508
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Energy: 1.5487282881342015
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Energy: 1.2772315174298163
Energy: 1.3378609334510634
Energy: 1.33636876762723
Energy: 1.2750373497895673
Energy: 1.2026945954589472
Energy: 1.3578220342053908
Energy: 1.31745310113352
Energy: 1.2657915405784588
Energy: 1.2952445662562966
Energy: 1.2706771383819564
Energy: 1.5862211375461068
Energy: 1.3053271187192097
Energy: 1.495829249623299
Energy: 1.4888486073254317
Energy: 1.4544256746047377
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Energy: 1.309707449239009
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Energy: 1.491977851752852
Energy: 1.5284648763535253
Energy: 1.501535241455785
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Energy: 1.5188555457324664
Energy: 1.3079044786480618
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Energy: 1.4491352037795338
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Energy: 1.2973020333499252
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Energy: 1.5569066201004562
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Energy: 1.5184445254943244
Energy: 1.5887488094135487
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Energy: 1.2708120874304338
Energy: 1.5182090107661357
Energy: 1.3544063812883216
Energy: 1.4989767943606054
Energy: 1.5108359801415199
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Energy: 1.526255971589416
Energy: 1.3292036251936692
Energy: 1.5656173957782054
Energy: 1.354989498515416
Energy: 1.2998229608191751
Energy: 1.4456446914005199
Energy: 1.1694467182487922
Energy: 1.355649647824439
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Energy: 1.326721640842023
Energy: 1.1702080001385398
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Energy: 1.403867330492399
Energy: 1.4019680748917749
Energy: 1.3729912748536968
Energy: 1.2494334853739941
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Energy: 1.401834534885011
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Energy: 1.3406978105293765
Energy: 1.395984160414603
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Energy: 1.2763118895838328
Energy: 1.5745693674749868
Energy: 1.3624579396338874
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minimum gb energy = 1.1694467182487922 eV
minimum distance =  2.226689486006 Angstroms
sigma value = 105


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

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Energy: 1.3609892503015943
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Energy: 1.3024044974251232
Energy: 1.3028370918696364
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Energy: 1.302788431693556
Energy: 1.3038441817152493
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Energy: 1.4434423523933226
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Energy: 1.4028880193829283
Energy: 1.3051836370821421
Energy: 1.3057790433698264
Energy: 1.3780990180722312
Energy: 1.3059205713748068
Energy: 1.2414177578445453
Energy: 1.3053755708179096
Energy: 1.3770143010794818
Energy: 1.3045822926134734
Energy: 1.3044658193387662
Energy: 1.3041834394984309
Energy: 1.3035221817663805
Energy: 1.316874599660043
Energy: 1.3040451551152128
Energy: 1.3042869180911678
Energy: 1.3040487267593581
Energy: 1.303676499248929
Energy: 1.2302364072633865
Energy: 1.3602142413213199
Energy: 1.3038964185479855
Energy: 1.3038994669810722
Energy: 1.303852207327162
Energy: 1.2306261654990343
Energy: 1.3034291481764135
Energy: 1.2851076050798067
Energy: 1.3037060731630303
Energy: 1.3037317102358228
Energy: 1.2303757913843054
Energy: 1.3800070198899177
Energy: 1.2786296110105961
Energy: 1.3075361974847888
Energy: 1.4444611056664671
Energy: 1.3426557614865633
Energy: 1.4752354632902334
Energy: 1.2792520384394788
Energy: 1.4475280499570575
Energy: 1.4440139260903295
Energy: 1.3427820499301868
Energy: 1.4434036181906755
Energy: 1.4371545867097655
Energy: 1.4470465955311442
Energy: 1.3581054049905477
Energy: 1.442953658392531
Energy: 1.513780904099151
Energy: 1.511232046663653
Energy: 1.4471034422142757
Energy: 1.3585056667706545
Energy: 1.4423191370649269
Energy: 1.304362991624537
Energy: 1.3068593452320536
Energy: 1.2871063154434874
Energy: 1.2861285454504523
Energy: 1.4432513787637935
Energy: 1.283779132657983
Energy: 1.2861237224192446
Energy: 1.2861535427832476
Energy: 1.2838228340549116
Energy: 1.4433631893159944
Energy: 1.2261244428814444
Energy: 1.2837002936449862
Energy: 1.2850747783683358
Energy: 1.2831577472645215
Energy: 1.2342524058663142
Energy: 1.2262201606870478
Energy: 1.2835297564386283
Energy: 1.2842436318577157
Energy: 1.2832598628120093
Energy: 1.3535762032628362

minimum gb energy = 1.2261244428814444 eV
minimum distance =  2.34013102285345 Angstroms
sigma value = 165


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

Energy: 2.0467923767814136
Energy: 1.3092817586097945
Energy: 1.3096461066256901
Energy: 1.37695303491763
Energy: 1.3037227184843547
Energy: 1.3972946651270484
Energy: 1.3104137369279003
Energy: 1.3096379855591573
Energy: 1.3666113168897005
Energy: 1.406217781283314
Energy: 1.3683646732513888
Energy: 1.3703215230981034
Energy: 1.3020399171609838
Energy: 1.4042256743785555
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Energy: 1.3708993542551597
Energy: 1.378000952835926
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Energy: 1.405401796979464
Energy: 1.3102310760995506
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Energy: 1.421910873459885
Energy: 1.3630389578135143
Energy: 1.3171540665386907
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Energy: 1.4064776685335778
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Energy: 1.291466069598014
Energy: 1.3684118972617516
Energy: 1.3068848141294982
Energy: 1.3675515543261798
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Energy: 1.4523436665467235
Energy: 1.3177192874724903
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Energy: 1.3674601044915908
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Energy: 1.3095564262601729
Energy: 1.3944378076710529
Energy: 1.367819511544422
Energy: 1.3094170477508762
Energy: 1.4044133670524432
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Energy: 1.4072132035385645
Energy: 1.3702812447753618
Energy: 1.3082136036930179
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Energy: 1.4180937994748157
Energy: 1.296264406437483
Energy: 1.3203812607566852
Energy: 1.30884386921431
Energy: 1.3041776740667594
Energy: 1.368549559052264
Energy: 1.2907890763181005
Energy: 1.3716161781222296
Energy: 1.3092226365373212
Energy: 1.3795223367673017
Energy: 1.3692033051890995
Energy: 1.4193169548406455
Energy: 1.4108450565940103
Energy: 1.3631088768857285
Energy: 1.3072510054415465
Energy: 1.3779649798638451
Energy: 1.3080746586475656
Energy: 1.410262310746931
Energy: 1.361774355885753
Energy: 1.304861508298996
Energy: 1.370382606470763
Energy: 1.3079052146368202
Energy: 1.369894236513849
Energy: 1.3613144719363597
Energy: 1.3062280421007244
Energy: 1.298824660443631
Energy: 1.374237656406321
Energy: 1.373188260779444
Energy: 1.3609676616733328
Energy: 1.3071591739560382
Energy: 1.297379083571128
Energy: 1.3754098994717743
Energy: 1.2982655348218717
Energy: 1.3689310310855534
Energy: 1.3657406955757807
Energy: 1.3115304494023656
Energy: 1.368273448298605
Energy: 1.3584769523470055
Energy: 1.3676446742989852
Energy: 1.3680926936179076
Energy: 1.3131441217253828
Energy: 1.3683895941106585

minimum gb energy = 1.2907890763181005 eV
minimum distance =  2.3083871975829 Angstroms
sigma value = 41


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

Energy: 1.2381881626572557
Energy: 1.0896708886542417
Energy: 1.198353219121017
Energy: 1.0882172594948798
Energy: 1.0898116378472529
Energy: 1.2370398221760088
Energy: 1.0892000223746434
Energy: 1.0930329888847519
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Energy: 1.0932862798152456
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Energy: 1.2923093471765312
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Energy: 1.3268882617076352
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Energy: 1.31547753821136
Energy: 1.335534694469988
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Energy: 1.3273231708851754
Energy: 1.242074013633521
Energy: 1.1765657303117711
Energy: 1.3171698835467156
Energy: 1.2550819043800863
Energy: 1.1738174795463339
Energy: 1.2497759875867425
Energy: 1.286995071742408
Energy: 1.220548630338691
Energy: 1.1340867311870348
Energy: 1.1507967895728575
Energy: 1.251097636304091
Energy: 1.3081130383285648
Energy: 1.252453386451095
Energy: 1.283920081478904
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Energy: 1.2507073156288289
Energy: 1.3319349289355717
Energy: 1.1470393656480402
Energy: 1.2491535950382926
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Energy: 1.2067535098700057
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Energy: 1.199377665180937
Energy: 1.2412885391757151
Energy: 1.2462533786737722
Energy: 1.346263319570805
Energy: 1.1508595875182344
Energy: 1.3154090359529027
Energy: 1.3381475977646446
Energy: 1.2661297094126145
Energy: 1.2836732474306847
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Energy: 1.2638928241838345
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Energy: 1.2797731559184744
Energy: 1.2196212634499422
Energy: 1.2661491137285836
Energy: 1.3365025776668318
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Energy: 1.0899918832684132
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Energy: 1.0894027437335987
Energy: 1.3331086227271005
Energy: 1.3283563545771064
Energy: 1.1946002532066884
Energy: 1.0892468462440954
Energy: 1.0899051278056628
Energy: 1.199476374407119
Energy: 1.2003056051064096
Energy: 1.0900201574386452
Energy: 1.1708089011557101
Energy: 1.1983712914705795
Energy: 1.1964120999443892
Energy: 1.334881215795076
Energy: 1.2138349324601008
Energy: 1.1799440915972308
Energy: 1.2272703822674471
Energy: 1.261167602196011
Energy: 1.1140041425608405
Energy: 1.1192825546499985
Energy: 1.1484833899380753
Energy: 1.089867740195291
Energy: 1.287604875793532
Energy: 1.196841458088752
Energy: 1.2641574412784875
Energy: 1.2042656214392538
Energy: 1.1767905936089806
Energy: 1.2960277706064545
Energy: 1.19176923575647
Energy: 1.0945836884687443
Energy: 1.1980445341503672
Energy: 1.1767300423372582
Energy: 1.1918408508608775
Energy: 1.1982654555446797
Energy: 1.2633744469243737
Energy: 1.2086841609131065
Energy: 1.1928581586305658
Energy: 1.2864206975790526
Energy: 1.2139592625691689
Energy: 1.198087552731085
Energy: 1.089633960723771
Energy: 1.2725433046435084
Energy: 1.268096216168207
Energy: 1.1976943977164194
Energy: 1.0910007095063585
Energy: 1.264372919509982
Energy: 1.2702789002390091
Energy: 1.0887463302900253
Energy: 1.1924119733754883
Energy: 1.1271840017860961
Energy: 1.0884856799714957
Energy: 1.1950259618460242
Energy: 1.0887598978882698
Energy: 1.2652817459422947
Energy: 1.0891107533197002
Energy: 1.1713371229893552

minimum gb energy = 1.0882172594948798 eV
minimum distance =  2.3163812342628 Angstroms
sigma value = 185


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

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Energy: 0.7094145363018601
Energy: 0.70515548807851
Energy: 0.6929085121514482
Energy: 0.5364142992424555
Energy: 0.5742134810923525
Energy: 0.7122932269560601
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Energy: 0.7196856278372897
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Energy: 0.7070625207534891
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Energy: 0.7243535254733258
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Energy: 0.7337778696958885
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Energy: 0.5338071760553569
Energy: 0.7059308778829119
Energy: 0.7134552452285619
Energy: 0.7055551343310135
Energy: 0.7085944489205317
Energy: 0.5346678084619273
Energy: 0.7249139373455925
Energy: 0.7360644961640582
Energy: 0.6890832231819194
Energy: 0.5344444230656474
Energy: 0.5346019186453409
Energy: 0.7004503310222447
Energy: 0.7224579913636112
Energy: 0.71989208674414
Energy: 0.533501517014472
Energy: 0.5353259570421401
Energy: 0.7022630113166733
Energy: 0.7089128871243644
Energy: 0.7112203825491079
Energy: 0.7234465269746263
Energy: 0.7237365325700887
Energy: 0.7073655992794526
Energy: 0.7048848892441949
Energy: 0.7274975815789253
Energy: 0.7133719079236065
Energy: 0.7140451750422007
Energy: 0.6980366530382056
Energy: 0.6981952144688791
Energy: 0.7148490667379388
Energy: 0.614709516520098
Energy: 0.7199537154276461
Energy: 0.7074409697573039
Energy: 0.7131160604198088
Energy: 0.722135140966464
Energy: 0.5329939270712823
Energy: 0.7089997303075593
Energy: 0.6972990504930889
Energy: 0.7143866644649541
Energy: 0.6206391907529568

minimum gb energy = 0.5311296505815274 eV
minimum distance =  2.39418347637918 Angstroms
sigma value = 33


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

Energy: 1.1255041133018566
Energy: 1.1139795870542697
Energy: 1.1092574359376826
Energy: 1.1097090260574827
Energy: 1.0971186881544301
Energy: 1.0955799697616153
Energy: 1.113712633601798
Energy: 1.1211791879092667
Energy: 1.1116480933135673
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Energy: 1.112565578150528
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Energy: 1.100846819695672
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Energy: 1.103343026319491
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Energy: 1.0961604902199982
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Energy: 1.1035541484715214
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Energy: 1.095156915856085
Energy: 1.0984170236230306
Energy: 1.0957412829440856
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Energy: 1.094568609443884
Energy: 1.091193093812195
Energy: 1.0964916256273243
Energy: 1.0914889549558182
Energy: 1.096220349313439
Energy: 1.0906967737573665
Energy: 1.0906036523962674
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Energy: 1.0993573142383377
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Energy: 1.106614453017684
Energy: 1.1070168167124774
Energy: 1.133688933834804
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Energy: 1.0894191552681507
Energy: 1.1036760760913797
Energy: 1.1053060604869254
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Energy: 1.106769563328912
Energy: 1.100414083394148
Energy: 1.103597785617971
Energy: 1.1066768428287799
Energy: 1.096315641919662
Energy: 1.0964913672079784
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Energy: 1.1066697760186033
Energy: 1.1128632153600135
Energy: 1.1033329526219418
Energy: 1.0966713402792214
Energy: 1.0962072107322793
Energy: 1.1071463754660855
Energy: 1.112807468059237
Energy: 1.1037824113953523
Energy: 1.1083052881619124
Energy: 1.0956078152473865
Energy: 1.1004795211622906
Energy: 1.107291559510109
Energy: 1.1130530221336075
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Energy: 1.0982626377473177
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Energy: 1.1097083019346015
Energy: 1.1130827972074744
Energy: 1.0898291750980171
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Energy: 1.1064654104631688
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Energy: 1.0960353885180396
Energy: 1.113636006792899
Energy: 1.1066155712183865
Energy: 1.1079705473305201
Energy: 1.1019452805118897

minimum gb energy = 1.0880245477749495 eV
minimum distance =  2.34602489099277 Angstroms
sigma value = 219


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

Energy: 1.495695267801235
Energy: 1.5185550370202834
Energy: 1.5303805664219972
Energy: 1.5171125381089208
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Energy: 1.5372542320726414
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Energy: 1.5216966603228574
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Energy: 1.5208140860991841
Energy: 1.5290541468527314
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Energy: 1.541729285990481
Energy: 1.5440065649935186
Energy: 1.4976469344218262
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Energy: 1.5431761316385288
Energy: 1.5660289017368627
Energy: 1.5105707045480927
Energy: 1.5018773162422847
Energy: 1.5060616445618205
Energy: 1.5434757299894486
Energy: 1.5318109537879894
Energy: 1.5157892429682815
Energy: 1.5436572771355277
Energy: 1.5008965538949135
Energy: 1.510432091261807
Energy: 1.5190373879541632
Energy: 1.5244439031178891
Energy: 1.537453188342726
Energy: 1.498932200913108
Energy: 1.50836038945546
Energy: 1.5220588544266174
Energy: 1.5263199942173962
Energy: 1.5299165494318312
Energy: 1.5224370283815165
Energy: 1.5092390845551078
Energy: 1.5084656212597702
Energy: 1.5223448842483158
Energy: 1.5294129906423546
Energy: 1.5248218514377847
Energy: 1.5092366194861568
Energy: 1.5127184999095693
Energy: 1.5216879579064657

minimum gb energy = 1.495695267801235 eV
minimum distance =  2.31042597059468 Angstroms
sigma value = 15


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

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Energy: 1.7229741328137043
Energy: 1.775215943150224
Energy: 1.7133597355437449
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Energy: 1.711177151941903
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Energy: 1.729910364573159
Energy: 1.7568901173129776
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Energy: 1.6901100513012242
Energy: 1.6880002392487856
Energy: 1.712619756948009
Energy: 1.709456991217095
Energy: 1.7551065117447051
Energy: 1.6890267400114671
Energy: 1.7000513302958749
Energy: 1.7112736379035796
Energy: 1.7089107016824456
Energy: 1.7113822285598808
Energy: 1.8184088026730345
Energy: 1.7119417163458015
Energy: 1.7325819876084743
Energy: 1.7181393853171856
Energy: 1.7125692742625471
Energy: 1.7157321885666648
Energy: 1.7666871257458543
Energy: 1.7303502631252998
Energy: 1.7108102413806554
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minimum gb energy = 1.683759704575377 eV
minimum distance =  2.27959183730022 Angstroms
sigma value = 293


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

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Energy: 1.7614053268934742
Energy: 1.6845013135359894
Energy: 1.687381983312392
Energy: 1.6883702645400396
Energy: 1.684637585341426
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Energy: 1.7289761405690398
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Energy: 1.6844406914411052
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Energy: 1.7277970192711818
Energy: 1.6842375213595995
Energy: 1.7326957347020184
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Energy: 1.6862983380347827
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Energy: 1.7372286113845146
Energy: 1.7598367753181743
Energy: 1.6795357789846332
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Energy: 1.684000909821797
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Energy: 1.679505984485994
Energy: 1.6841108802932638
Energy: 1.763289661964727
Energy: 1.6837431394546092
Energy: 1.6852214437156134
Energy: 1.7643032244571728
Energy: 1.6858450464801396
Energy: 1.7273623548132344
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Energy: 1.6861406562967383
Energy: 1.6871036220176798
Energy: 1.6854126733302273
Energy: 1.7278566677245908
Energy: 1.6839775419939775
Energy: 1.6834132091423504
Energy: 1.6830033670695896
Energy: 1.7249489800962579
Energy: 1.6863958908640904
Energy: 1.7218317128602942
Energy: 1.7479958906612394
Energy: 1.6823164891295648
Energy: 1.7233712958003025
Energy: 1.7616212986043471
Energy: 1.7220933702021417
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Energy: 1.7689941207932063
Energy: 1.7677827955569636
Energy: 1.680480997463039
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Energy: 1.7717937827893695
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Energy: 1.7685711885685818
Energy: 1.7357034370001179
Energy: 1.805463245159752
Energy: 1.7374945540957318
Energy: 1.6867514877665253
Energy: 1.6874301294027547
Energy: 1.7356511162901354
Energy: 1.7289792331474139
Energy: 1.7221226770333247
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Energy: 1.82792192463559
Energy: 1.6790452789176935
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Energy: 1.688275235072989
Energy: 1.6845795109287283
Energy: 1.680337375533905
Energy: 1.6820574380655053
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Energy: 1.6863686595480094
Energy: 1.6751393171236464
Energy: 1.6733795845220134
Energy: 1.7323185719588368
Energy: 1.686049738880463
Energy: 1.6869116301864953
Energy: 1.6739881675354444
Energy: 1.6730942447954236
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Energy: 1.727697927146559
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Energy: 1.762101416348775
Energy: 1.6848604365924966
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Energy: 1.7269557475886412
Energy: 1.68196559060737
Energy: 1.7613083170054595
Energy: 1.684687923938986
Energy: 1.6795230970390986
Energy: 1.684012956484721
Energy: 1.7326839408016235
Energy: 1.729528328738237
Energy: 1.6816032380921997
Energy: 1.7328575477174963
Energy: 1.6833047376517762
Energy: 1.796978395515837
Energy: 1.7290597373209413
Energy: 1.6802537247775433
Energy: 1.7993350977392717
Energy: 1.6847236965428602
Energy: 1.6851855808161353
Energy: 1.738474135220699
Energy: 1.6777226215714633
Energy: 1.7617576102146184
Energy: 1.684275316125939
Energy: 1.6862351369077764
Energy: 1.7378934484100517
Energy: 1.6785044948720769
Energy: 1.6849078089995293
Energy: 1.7276497250097047
Energy: 1.6856259412404357
Energy: 1.687014216851312
Energy: 1.683770931163936
Energy: 1.6853682388796996
Energy: 1.7270094551238393
Energy: 1.6864485848972808
Energy: 1.6875843475311747
Energy: 1.6842806757060669
Energy: 1.721676703920444
Energy: 1.7613365170503936
Energy: 1.7252778512418014
Energy: 1.6818862958211875
Energy: 1.6854815041427258
Energy: 1.7212367800348862
Energy: 1.7627527285251794
Energy: 1.730881291898669
Energy: 1.6825761682672369
Energy: 1.685515545382616
Energy: 1.6847042077319834
Energy: 1.7684968515133683
Energy: 1.7827567129346684
Energy: 1.7635352601099104
Energy: 1.7694415003311807
Energy: 1.680373744387888
Energy: 1.7675495829654575
Energy: 1.770167365254095
Energy: 1.745812750325948
Energy: 1.7688787452448247
Energy: 1.6862260507046007
Energy: 1.7627119543384018
Energy: 1.7337148283910946
Energy: 1.6839603255767757
Energy: 1.7695140507352705
Energy: 1.6849501219010778
Energy: 1.806655453971869
Energy: 1.7856634416396915
Energy: 1.6843946370852683
Energy: 1.7699890455908494
Energy: 1.6745386051925057
Energy: 1.723004838095659
Energy: 1.684319594736891
Energy: 1.7318210375936933
Energy: 1.7699027651564716
Energy: 1.6737051305166737
Energy: 1.68820782370946
Energy: 1.6850877167993807
Energy: 1.7321379221554734
Energy: 1.8288700595575014

minimum gb energy = 1.6730942447954236 eV
minimum distance =  2.29127578115476 Angstroms
sigma value = 293


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

Energy: 1.6906160908196866
Energy: 1.690837265950501
Energy: 1.788259435985092
Energy: 1.6912130909926115
Energy: 1.6723438006962523
Energy: 1.6903425900082594
Energy: 1.6893504119064429
Energy: 1.7888640190898561
Energy: 1.6895724972008659
Energy: 1.672868435212999
Energy: 1.7948159070511154
Energy: 1.6878309440799164
Energy: 1.6867478015988129
Energy: 1.6875546289661894
Energy: 1.687073289077161
Energy: 1.7979288961141482
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Energy: 1.6742143743839686
Energy: 1.6885974135788762
Energy: 1.6865819802205266
Energy: 1.6902319524228606
Energy: 1.6889666078832877
Energy: 1.6913054827259244
Energy: 1.6913100622010773
Energy: 1.7989673319179136
Energy: 1.6886639111502886
Energy: 1.688329427829317
Energy: 1.6893546501332533
Energy: 1.793773945116824
Energy: 1.795981590242031
Energy: 1.790062688443365
Energy: 1.6834059546041946
Energy: 1.6745732132013644
Energy: 1.6875202009252543
Energy: 1.7948341747811916
Energy: 1.7892635460959359
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Energy: 1.673336238943889
Energy: 1.6885959970620346
Energy: 1.6793000652655008
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Energy: 1.6745263567856274
Energy: 1.6864164489308862
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Energy: 1.6877477931992384
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Energy: 1.7893902400034674
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Energy: 1.6731372407617817
Energy: 1.6893875553512305
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Energy: 1.692539671886848
Energy: 1.6724195448530195
Energy: 1.7887277133889423
Energy: 1.678635197448539
Energy: 1.6874272604013878
Energy: 1.6877677624545901
Energy: 1.6891758830881656
Energy: 1.7890936469388625
Energy: 1.678127723120466
Energy: 1.6869594286744647
Energy: 1.6875429735301213
Energy: 1.6884456789321358
Energy: 1.6882424305761135
Energy: 1.8002214628472746
Energy: 1.6902729316143916
Energy: 1.6891213495958923
Energy: 1.673408467562051
Energy: 1.6889584524753
Energy: 1.8039658794972422
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Energy: 1.6907119451297525
Energy: 1.6731431282275273
Energy: 1.6878020065978516
Energy: 1.6744524126601883
Energy: 1.6870642186369214
Energy: 1.6762612563256447
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Energy: 1.6871249189055548
Energy: 1.6870678997649107
Energy: 1.686606579367619
Energy: 1.678443192539978
Energy: 1.7942999626169205
Energy: 1.6923011692055208
Energy: 1.692734719329161
Energy: 1.8026579302160421
Energy: 1.7889239019404262
Energy: 1.6923662296337882
Energy: 1.692622270937731
Energy: 1.6922860467973595
Energy: 1.803209343859946
Energy: 1.7932401772436386
Energy: 1.6894705710146007
Energy: 1.681079840811621
Energy: 1.6871827147733984
Energy: 1.693935404373707
Energy: 1.789348817036792
Energy: 1.7957614270791504
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Energy: 1.687262102509862
Energy: 1.678146797873818
Energy: 1.7897112314412174
Energy: 1.797408150160154
Energy: 1.6908674456553676
Energy: 1.691327667899287
Energy: 1.6930869205779473
Energy: 1.6910997342475071
Energy: 1.6723412128637651
Energy: 1.6912721847975725
Energy: 1.6897498775362858
Energy: 1.6918294674442296
Energy: 1.6898270530489838
Energy: 1.6729305622176351
Energy: 1.7946753200184216
Energy: 1.6878116032420305
Energy: 1.6865597718614123
Energy: 1.6875146200483395
Energy: 1.6865178822269828
Energy: 1.7975456430435672
Energy: 1.688457663203834
Energy: 1.6748482740698099
Energy: 1.6884019690608825
Energy: 1.6862925962196709
Energy: 1.6907293287346876
Energy: 1.6894181889249833
Energy: 1.6915358954223323
Energy: 1.6915157913022998
Energy: 1.798092692341943
Energy: 1.6890477440421228
Energy: 1.688455416249216
Energy: 1.6896723009440042
Energy: 1.7892752485772303
Energy: 1.796207002931507
Energy: 1.7906381155161588
Energy: 1.6826051703728766
Energy: 1.6749186380559293
Energy: 1.6873501714461816
Energy: 1.7947742369156112
Energy: 1.7894215838458076
Energy: 1.6859070034245507
Energy: 1.6733884338761211
Energy: 1.6883630930614926
Energy: 1.7971715371901675
Energy: 1.6895116950489117
Energy: 1.6746578467441788
Energy: 1.6872139788988496
Energy: 1.6911446490676085
Energy: 1.6889136548564858
Energy: 1.6881555375017396
Energy: 1.6742692137663493
Energy: 1.683382882872118
Energy: 1.6890368992005709
Energy: 1.6878661677097613
Energy: 1.6881921002109894
Energy: 1.7895972870757118
Energy: 1.6880923564321224
Energy: 1.6896747740427633
Energy: 1.6730950411319268
Energy: 1.6892028459319195
Energy: 1.7884272658242466
Energy: 1.6891512305607024
Energy: 1.692111678407887
Energy: 1.672715943192959
Energy: 1.788908399619136
Energy: 1.679321794480088
Energy: 1.6874985925832797
Energy: 1.6876981068576966
Energy: 1.68994980318944
Energy: 1.789296251408493
Energy: 1.6787228019083686
Energy: 1.687028974450326
Energy: 1.6874929343860268
Energy: 1.6888795128691374
Energy: 1.6879506954084071
Energy: 1.8003062200856748
Energy: 1.6905595174610462
Energy: 1.6883822827462887
Energy: 1.6736358693909843
Energy: 1.6884829493742766
Energy: 1.802717464014005
Energy: 1.6911807199144961
Energy: 1.6905759878063082
Energy: 1.6739847976568465
Energy: 1.687875946999344
Energy: 1.6741658981687848
Energy: 1.6872597155130538
Energy: 1.6760504041298199
Energy: 1.7955377690245584
Energy: 1.687082157098248
Energy: 1.6871712642276613
Energy: 1.6866592059188599
Energy: 1.6781590683782657
Energy: 1.6884102512384316
Energy: 1.691854717889958
Energy: 1.6922112745955864
Energy: 1.803762014987795
Energy: 1.7890216803624792
Energy: 1.6912374570168955
Energy: 1.6925080692482555
Energy: 1.692186256452143
Energy: 1.8086898019480515
Energy: 1.6887215701757106
Energy: 1.6902683112100172
Energy: 1.6815915967253054
Energy: 1.6872107181799247
Energy: 1.6944082056393939
Energy: 1.7899811599916342
Energy: 1.7950533730285199
Energy: 1.678642847324939
Energy: 1.6871756803015323
Energy: 1.6780833164169424
Energy: 1.7890671139948255
Energy: 1.797155913808283

minimum gb energy = 1.6723412128637651 eV
minimum distance =  2.29332808138992 Angstroms
sigma value = 15


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

Energy: 1.641429807027632
Energy: 1.6843994357766867
Energy: 1.8025708862069445
Energy: 1.7453180599151217
Energy: 1.73422823057124
Energy: 1.6308081414355684
Energy: 1.656085991405588
Energy: 1.8050394195181185
Energy: 1.8005789375282457
Energy: 1.628654908159101
Energy: 1.6304371993000533
Energy: 1.7572670643895731
Energy: 1.6610089696972388
Energy: 1.6668831934403778
Energy: 1.7073965855120634
Energy: 1.6215337460368058
Energy: 1.756714248713626
Energy: 1.6616687143291964
Energy: 1.7407441927249343
Energy: 1.6832148476394604
Energy: 1.7908831262638827
Energy: 1.6840507060065937
Energy: 1.6276181420053235
Energy: 1.7257534750662022
Energy: 1.710947625048559
Energy: 1.780151044460617
Energy: 1.6999558569840496
Energy: 1.6279515673407514
Energy: 1.6967767529036129
Energy: 1.630353864508618
Energy: 1.6340591704361624
Energy: 1.6275585193153512
Energy: 1.7537046530579228
Energy: 1.7839433192166283
Energy: 1.6214399371171508
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Energy: 1.7279392580274509
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Energy: 1.7212482521784185
Energy: 1.670706554843004
Energy: 1.7414629752880126
Energy: 1.6245440759206855
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Energy: 1.7457754453813084
Energy: 1.6476080843710348
Energy: 1.7425477756316443
Energy: 1.670442463704399
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Energy: 1.7460269593017512
Energy: 1.6081496980892076
Energy: 1.627858619256881
Energy: 1.6282986119933505
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Energy: 1.6316848346268504
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Energy: 1.6280260433495282
Energy: 1.8753265099588479
Energy: 1.6093882707967946
Energy: 1.6264453928793152
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Energy: 1.6286987039780938
Energy: 1.6363361017688893
Energy: 1.8108467909643122
Energy: 1.6260731361956338
Energy: 1.6278627883055723
Energy: 1.6294205458066238
Energy: 1.6592020748157772
Energy: 1.845512102366598
Energy: 1.7193220127586104
Energy: 1.6279014764213182
Energy: 1.6473405930565947
Energy: 1.625463172509868
Energy: 1.7930053424967898
Energy: 1.6252672433386486
Energy: 1.6284788964690102
Energy: 1.6722585877888811
Energy: 1.6249670472695372
Energy: 1.6926959603104887
Energy: 1.6411235092503202
Energy: 1.607298054718176
Energy: 1.7256825123218376
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Energy: 1.6288631631886579
Energy: 1.6411627244557532
Energy: 1.608662372587955
Energy: 1.7145685975691458
Energy: 1.6245697778819022
Energy: 1.6294679886948837
Energy: 1.7233244099564904
Energy: 1.697310483159559
Energy: 1.6135550665602758
Energy: 1.6127160388836617
Energy: 1.6103482159440807
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Energy: 1.6105386979372802
Energy: 1.734374078102883
Energy: 1.708591416559183
Energy: 1.6145184094441005
Energy: 1.6127022034065144
Energy: 1.6134998979776654
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Energy: 1.640568758803517
Energy: 1.6140915965725817
Energy: 1.6126085907185654
Energy: 1.6409801515555744
Energy: 1.6459689629856977
Energy: 1.7006083892012092
Energy: 1.7648882550193432
Energy: 1.6130741159963684
Energy: 1.7575246544145207
Energy: 1.6475990700847147
Energy: 1.6990708229277611
Energy: 1.614425575438238
Energy: 1.614818995010329
Energy: 1.7879859714915995
Energy: 1.751631926141171
Energy: 1.6688571164193537
Energy: 1.6341981578046239
Energy: 1.7415731233632619
Energy: 1.6400797329406973
Energy: 1.7837469774344652
Energy: 1.6667308858879166
Energy: 1.6336553727617595
Energy: 1.7391974070653515
Energy: 1.7396160762115782
Energy: 1.63029564515776
Energy: 1.677948760557537
Energy: 1.734681184077277
Energy: 1.6434588755258897
Energy: 1.6299300625625712
Energy: 1.6312858978331248
Energy: 1.677565372427127
Energy: 1.8016023694614987
Energy: 1.7039248727125687
Energy: 1.629153579263934
Energy: 1.6575248422557745
Energy: 1.61435529814679
Energy: 1.6126438238560439
Energy: 1.8227204853126109
Energy: 1.6296548301513762
Energy: 1.6583605123567324
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Energy: 1.6115431507712588
Energy: 1.6771986233756022
Energy: 1.6288879004285108
Energy: 1.874773635613217
Energy: 1.816222518218636
Energy: 1.613345206622493
Energy: 1.617237935430597
Energy: 1.644582199634955
Energy: 1.8725679446141053
Energy: 1.8144304787322154
Energy: 1.6140171000445764
Energy: 1.6173002155132092
Energy: 1.6471575153565319
Energy: 1.6108763423108587
Energy: 1.6650955573956707
Energy: 1.7717834878520209
Energy: 1.864654002978266
Energy: 1.623506949754088
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Energy: 1.86895100115179
Energy: 1.6125586674459516
Energy: 1.7042453820720933
Energy: 1.6304004997034116
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Energy: 1.8695472623223839
Energy: 1.6222087135110095
Energy: 1.6988088330194087
Energy: 1.6309095941987852
Energy: 1.6314206327891088
Energy: 1.6328364359558363
Energy: 1.676188277159335
Energy: 1.6300150359492356
Energy: 1.6298017834492506
Energy: 1.6303119186041386
Energy: 1.6339587531557098
Energy: 1.6307208423132649
Energy: 1.6340747079426219
Energy: 1.6295476802377655
Energy: 1.6692683282073242
Energy: 1.6257723385066138
Energy: 1.7518576700531057
Energy: 1.6311712869025954
Energy: 1.632277267956576
Energy: 1.6249122032981347
Energy: 1.6249160153800253
Energy: 1.6951136256310797
Energy: 1.6305299903434307
Energy: 1.6314171185523494
Energy: 1.7345287983263906
Energy: 1.6766416180659636
Energy: 1.631067326289037
Energy: 1.6975717030998396
Energy: 1.681708171723862
Energy: 1.7366200286656925
Energy: 1.6260737609663654
Energy: 1.630766310426219
Energy: 1.607300639933152
Energy: 1.6954199921767878
Energy: 1.6646273850735605
Energy: 1.606037303135007
Energy: 1.7382957545822306
Energy: 1.6361246936429288
Energy: 1.6414927977014817
Energy: 1.6075107331483391
Energy: 1.6068150997148511
Energy: 1.773522815431629
Energy: 1.6084735961817727
Energy: 1.6413913156824314
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Energy: 1.6040474202258155
Energy: 1.6499592643070053
Energy: 1.6311046502743423
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Energy: 1.6067022524930938
Energy: 1.6821323532401324
Energy: 1.7085808226141341
Energy: 1.6218972801169258
Energy: 1.6063431184103842
Energy: 1.6299763808898609
Energy: 1.6130911991431713
Energy: 1.6487436802468518
Energy: 1.7541772005390142
Energy: 1.6062413919186063
Energy: 1.660685139739609
Energy: 1.6135324974440706
Energy: 1.6595286718839364
Energy: 1.743700261694515
Energy: 1.6357089020900477
Energy: 1.7437370253223068
Energy: 1.759345948599874
Energy: 1.6909875058664987
Energy: 1.5998810857257455
Energy: 1.6350881301894566
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Energy: 1.7586041032542565
Energy: 1.670560534931142
Energy: 1.632858164751941
Energy: 1.6538940322528697
Energy: 1.6622984260119458
Energy: 1.6315770564428427
Energy: 1.6938022291376262
Energy: 1.754172508800126
Energy: 1.6513416283361873
Energy: 1.6622221336035377
Energy: 1.6311333085173314
Energy: 1.6941603770030216
Energy: 1.7516424112141888
Energy: 1.6060879219506519
Energy: 1.6736315168587244
Energy: 1.630297372796764
Energy: 1.6921234604583468
Energy: 1.7235245081654273
Energy: 1.6064578133196057
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Energy: 1.6308461108929486
Energy: 1.691105402830555
Energy: 1.7210038202469045
Energy: 1.608544407697439
Energy: 1.8247661826349475
Energy: 1.8394353314809202
Energy: 1.8125384150756023
Energy: 1.604570051865957
Energy: 1.6081437778066978
Energy: 1.8123713126625645
Energy: 1.7709106724166217
Energy: 1.8121176195974589
Energy: 1.6331544757582543
Energy: 1.6282433186159448
Energy: 1.7404597262806236
Energy: 1.6243533432846553
Energy: 1.6317411575572223
Energy: 1.8093094981584157
Energy: 1.6286595498473222
Energy: 1.743189381534587
Energy: 1.6243677461767998
Energy: 1.6314223919185382
Energy: 1.8021541696707095
Energy: 1.8247204709547107
Energy: 1.6307995818210037
Energy: 1.6319732364743722
Energy: 1.8489791107387594
Energy: 1.6194804508745086
Energy: 1.6543948551678824
Energy: 1.6316230645128014
Energy: 1.6320559399980035
Energy: 1.8541765943785058
Energy: 1.609135960343325
Energy: 1.6301907707885666
Energy: 1.6350845481834617
Energy: 1.6306821825267885
Energy: 1.667170449430743
Energy: 1.871860188756324
Energy: 1.6304252802582129
Energy: 1.6352995381865152
Energy: 1.6311618769387208
Energy: 1.6546980402236167
Energy: 1.8697029068038413
Energy: 1.6295768626912266
Energy: 1.631138005711591
Energy: 1.6309211820695908
Energy: 1.6252963372408629
Energy: 1.789471592467649
Energy: 1.6294558957712928
Energy: 1.6321995920325958
Energy: 1.6313693085382348
Energy: 1.6249470800016552
Energy: 1.7895599145501317
Energy: 1.7138787358102396
Energy: 1.6855723214213574
Energy: 1.7888949831155445
Energy: 1.6636612485921278
Energy: 1.6800498519190992
Energy: 1.703388812575186
Energy: 1.73342516615378
Energy: 1.788633248000723
Energy: 1.6242815199116245
Energy: 1.7120736834573682
Energy: 1.7167781343050952
Energy: 1.6079298009254788
Energy: 1.6582065372032815
Energy: 1.6424284726004736
Energy: 1.6103194599972692
Energy: 1.718982793721504
Energy: 1.608420126908293
Energy: 1.6570368973217753
Energy: 1.6423620043888323
Energy: 1.6119290894473008
Energy: 1.789672774505967
Energy: 1.6991731741669263
Energy: 1.6578521039134928
Energy: 1.6591215777563584
Energy: 1.6126966456051226
Energy: 1.7834494232839362
Energy: 1.6488368355046243
Energy: 1.6580861740781494
Energy: 1.6506471734415131
Energy: 1.61195727253057
Energy: 1.6115420828155398
Energy: 1.7364657924532698
Energy: 1.6305399967461267
Energy: 1.637495759544461
Energy: 1.6304749662766915
Energy: 1.6117186262709409
Energy: 1.732816816331089
Energy: 1.6139342425758372
Energy: 1.637832882744875
Energy: 1.6602569058966188
Energy: 1.8075417897108983
Energy: 1.6542784680152725
Energy: 1.6313152134723483
Energy: 1.7064358993317925
Energy: 1.6928291473227113
Energy: 1.7870072436054965
Energy: 1.629669655020042
Energy: 1.6308800859957955
Energy: 1.705544936187224
Energy: 1.671099946280687
Energy: 1.6289204750185857
Energy: 1.6700737130757395
Energy: 1.7348095039882214
Energy: 1.633054165182897
Energy: 1.6316124090929969
Energy: 1.629017363395952
Energy: 1.6718105523806996
Energy: 1.631896695108628
Energy: 1.633858807176815
Energy: 1.629688774719061
Energy: 1.6579332492706123
Energy: 1.6150364025104884
Energy: 1.6134360380337693
Energy: 1.6642251724334198
Energy: 1.6707995688364203
Energy: 1.6595278434203762
Energy: 1.6146988688485295
Energy: 1.6119631081347037
Energy: 1.6364846094785965
Energy: 1.6717339674637748
Energy: 1.9374476875463569
Energy: 1.8001797244706834
Energy: 1.6457388765262932
Energy: 1.8304131964070833
Energy: 1.6463079637350382
Energy: 1.6974363276448443
Energy: 1.770035237744618
Energy: 1.6429934615354662
Energy: 1.8313141603129393
Energy: 1.647546437818801
Energy: 1.6110970063494994
Energy: 1.8152427591229972
Energy: 1.7969427470245842
Energy: 1.6716281102540647
Energy: 1.6589407447292284
Energy: 1.6112545947635908
Energy: 1.7938757052785288
Energy: 1.8850478086458724
Energy: 1.670392026507421
Energy: 1.625536544842
Energy: 1.8068069708857328
Energy: 1.8467348722185926
Energy: 1.8488707022261452
Energy: 1.629367252741129
Energy: 1.6274117719826102
Energy: 1.8120859713436819
Energy: 1.8473797587741352
Energy: 1.8470244928970134
Energy: 1.6214233271159821
Energy: 1.6280463843487238
Energy: 1.628193259241432
Energy: 1.656716208470204
Energy: 1.671916052256626
Energy: 1.6263759009272296
Energy: 1.6297411085634423
Energy: 1.6270275538730792
Energy: 1.6456459572837936
Energy: 1.6277218073528863
Energy: 1.6271564151299123
Energy: 1.6289740483629267
Energy: 1.6806307595473684
Energy: 1.6262038657738065
Energy: 1.7362182401437791
Energy: 1.6280506699053299
Energy: 1.629096777020502
Energy: 1.7032518491917787
Energy: 1.6643641697128606
Energy: 1.7169102381312775
Energy: 1.6273518614919515
Energy: 1.6276013205338313
Energy: 1.7514196471492745
Energy: 1.6254221183599868
Energy: 1.6303897732841262
Energy: 1.7044924714282659
Energy: 1.68406348967001
Energy: 1.716184083841244
Energy: 1.6253041525692682
Energy: 1.6302573654971668
Energy: 1.7577147353085476
Energy: 1.7553498667649898
Energy: 1.6307562756444727
Energy: 1.630632603390014
Energy: 1.7203181308726063
Energy: 1.609118411227883
Energy: 1.629467990570639
Energy: 1.622388066504508
Energy: 1.6216009970314913
Energy: 1.7239869262471326
Energy: 1.6083342414095139
Energy: 1.629021024673751
Energy: 1.6297247608486436
Energy: 1.632363813006834
Energy: 1.6302297900484202
Energy: 1.6268129448246458
Energy: 1.6203228381694887
Energy: 1.6184758208773573
Energy: 1.6483780681746822
Energy: 1.7006581791573099
Energy: 1.6273455054222192
Energy: 1.630297441463751
Energy: 1.6305633660407461
Energy: 1.6211717140928013
Energy: 1.6133552432769775
Energy: 1.8075210598066374
Energy: 1.7201298733127515
Energy: 1.6203462526967864
Energy: 1.7170713892491625
Energy: 1.645491092296227
Energy: 1.774746326609938
Energy: 1.7435529347482195
Energy: 1.7309734200574822
Energy: 1.7648071535224223
Energy: 1.6713310821192398
Energy: 1.661535533634798
Energy: 1.6058249704426821
Energy: 1.729732276753766
Energy: 1.7575098388507153
Energy: 1.6535608006653502
Energy: 1.6887115886491106
Energy: 1.60895155180501

minimum gb energy = 1.5998810857257455 eV
minimum distance =  2.24507666459378 Angstroms
sigma value = 437


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

Energy: 1.6337418565242985
Energy: 1.547044634444125
Energy: 1.5056467685584747
Energy: 1.6284139871769034
Energy: 1.446430232955311
Energy: 1.609451990083084
Energy: 1.5459903724409276
Energy: 1.5066389132048008
Energy: 1.6127069023221092
Energy: 1.6110412662616747
Energy: 1.44553185574733
Energy: 1.6948520266119562
Energy: 1.4440028236158027
Energy: 1.7774874516902237
Energy: 1.448588338504622
Energy: 1.4456494919770326
Energy: 1.6948300134374865
Energy: 1.44508226872265
Energy: 1.6932676637132644
Energy: 1.4490896695237865
Energy: 1.6141920396298388
Energy: 1.4480588922341147
Energy: 1.530511466312323
Energy: 1.503160661687554
Energy: 1.4480755796579585
Energy: 1.6145612090822785
Energy: 1.6471040068740836
Energy: 1.531206075682073
Energy: 1.502828588661113
Energy: 1.4460869776718999
Energy: 1.5039795585098272
Energy: 1.5110148137863688
Energy: 1.682954730059605
Energy: 1.612650571143475
Energy: 1.4467303866231234
Energy: 1.5042159582136645
Energy: 1.501623650388707
Energy: 1.6817897157151462
Energy: 1.6124830817331346
Energy: 1.5284709513639387
Energy: 1.5948184958965057
Energy: 1.5452966303725626
Energy: 1.4620081128750728
Energy: 1.4658461835856744
Energy: 1.6132941739996316
Energy: 1.5945341641283786
Energy: 1.5453891078278754
Energy: 1.4618276663130498
Energy: 1.4638100948820494
Energy: 1.6121946714402435
Energy: 1.4449390998511669
Energy: 1.5114532812268289
Energy: 1.5299895129400016
Energy: 1.466198259182287
Energy: 1.608585543961174
Energy: 1.5460220484814995
Energy: 1.4518987279798936
Energy: 1.6050411610597042
Energy: 1.4670573279998984
Energy: 1.6094604461368271
Energy: 1.6175494644076023
Energy: 1.611533137671706
Energy: 1.615681661800579
Energy: 1.5074900205744965
Energy: 1.527516659619816
Energy: 1.6161278663478353
Energy: 1.6125451429250635
Energy: 1.614231218953699
Energy: 1.5054665463179233
Energy: 1.5278324953866187
Energy: 1.6289088996101513
Energy: 1.444770918386982
Energy: 1.451647745692422
Energy: 1.5038921328960888
Energy: 1.6964331289718326
Energy: 1.6325543749879479
Energy: 1.4439665063811986
Energy: 1.4529385708381828
Energy: 1.504120651211911
Energy: 1.6963648163043983
Energy: 1.5036775805885176
Energy: 1.6839593647715436
Energy: 1.546684169204256
Energy: 1.4455827872880382
Energy: 1.5030632171819722
Energy: 1.502913701711335
Energy: 1.6846912646981005
Energy: 1.5462822894594102
Energy: 1.7216071368904318
Energy: 1.5014932997446824
Energy: 1.5494664067449035
Energy: 1.6117591697013054
Energy: 1.4458456379873443
Energy: 1.788221990797834
Energy: 1.548304840018353
Energy: 1.4631139572998058
Energy: 1.6130511484140724
Energy: 1.4462340354873489
Energy: 1.7837195197640976
Energy: 1.5469506447774029
Energy: 1.444930251168598
Energy: 1.4458384319951736
Energy: 1.5468338493521585
Energy: 1.6093304359768015
Energy: 1.4463483954166632
Energy: 1.4448489359306091
Energy: 1.4456878457292117
Energy: 1.547207246292112
Energy: 1.610243727347803
Energy: 1.5093756323298517
Energy: 1.4460656108643815
Energy: 1.4463534856223708
Energy: 1.444607832868863
Energy: 1.7178323848778572
Energy: 1.4467402492624999
Energy: 1.4463195958535973
Energy: 1.4461530742235673
Energy: 1.4439127890262033
Energy: 1.691183382949577
Energy: 1.4465123640930222
Energy: 1.4452477717038996
Energy: 1.4472823075434094
Energy: 1.5283880383760862
Energy: 1.6965296550586357
Energy: 1.5481231733808405
Energy: 1.4448736367072708
Energy: 1.4517158795878833
Energy: 1.529091497408849
Energy: 1.6938682853512472
Energy: 1.4474094511315605
Energy: 1.4454563903912303
Energy: 1.5481418754621075
Energy: 1.822042427333783
Energy: 1.445159563532372
Energy: 1.4500870002914765
Energy: 1.7350848578865612
Energy: 1.5478633877253898
Energy: 1.6933114601542205
Energy: 1.4449474018488246
Energy: 1.4422112354096452

minimum gb energy = 1.4422112354096452 eV
minimum distance =  2.25807993886162 Angstroms
sigma value = 33