Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.2424328714365185
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01643362266959664
Energy: 0.017088961889263145
Energy: 1.1234955989612756
Energy: 0.017088961889263145
Energy: 0.017088961889263145
Energy: 1.2128752802098846
Energy: 0.017088961889263145
Energy: 1.2128752802098846
Energy: 1.1234955989612756
Energy: 0.017088961889263145
Energy: 0.01643362266959664
Energy: 0.017088961889263145
Energy: 0.017088961889263145
Energy: 1.2128752802098846
Energy: 0.017088961889263145
Energy: 1.2128752802098846

minimum gb energy = 0.01643362266959664 eV
minimum distance =  2.48771660872803 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.9939281676833859
Energy: 1.0977477696294278
Energy: 0.863425700101882
Energy: 1.09774776963019
Energy: 0.9571526718580553
Energy: 1.0882778151385686
Energy: 0.9569462215082218
Energy: 1.0882778151385686
Energy: 0.9005403779386766
Energy: 1.0848133551589165
Energy: 0.9473119773968208
Energy: 1.0848133551589165
Energy: 0.9372211432967367
Energy: 1.106487955764264
Energy: 0.9477629337444544
Energy: 1.1064879557657885
Energy: 0.9418553579867249
Energy: 1.100919141181115
Energy: 0.9465215506826727
Energy: 1.1009191411803527
Energy: 0.894563990821202
Energy: 1.2905297372558995
Energy: 0.9269482912762094
Energy: 1.290529737255137
Energy: 0.9602498408551279
Energy: 1.0863180118714344
Energy: 0.8963666795697702
Energy: 1.0863180118706723
Energy: 0.8170845391866981
Energy: 1.0988030200491787
Energy: 0.9167365721048291
Energy: 1.0988030200491787
Energy: 0.9496979626126505
Energy: 0.9530692447040879
Energy: 0.9537617468447722
Energy: 0.9530692447033257
Energy: 0.9289871852983556
Energy: 1.0850847377858233
Energy: 0.8017865918816015
Energy: 1.0850847377850612
Energy: 0.9518011538630197
Energy: 1.0447339969792229
Energy: 0.9488944436683411
Energy: 1.0447339969792229
Energy: 0.9000686443806595
Energy: 1.0987078250910352
Energy: 0.9439106103700918
Energy: 1.0987078250910352
Energy: 0.9565905618215113
Energy: 1.0843933005411106
Energy: 0.9591145724717113
Energy: 1.0843933005403483
Energy: 0.9493718657915753
Energy: 1.0922184940892645
Energy: 0.9430356116894113
Energy: 1.092218494090027
Energy: 0.9393982269989913
Energy: 1.0983391080571463
Energy: 0.9482546764261609
Energy: 1.0983391080571463
Energy: 0.9495670546717426
Energy: 1.0975639906681616
Energy: 0.9483621145346652
Energy: 1.0975639906666368
Energy: 0.9478223444921494
Energy: 1.084777221440034
Energy: 0.8746940189543855
Energy: 1.0847772214392717
Energy: 0.9575519015129644
Energy: 1.0840207662361638
Energy: 0.9565973929990669
Energy: 1.0840207662361638
Energy: 0.8576171901948506
Energy: 1.0989857944242425
Energy: 0.9473879465004555
Energy: 1.0989857944242425
Energy: 0.9616957306478474
Energy: 0.9528745872962028
Energy: 0.9493945011824362
Energy: 0.9528745872954405
Energy: 0.9259591996423865
Energy: 1.084655016026283
Energy: 0.8010514004818398
Energy: 1.084655016026283
Energy: 0.9480462385991396
Energy: 1.1072479614707618
Energy: 0.9406284356267987
Energy: 1.1072479614722865
Energy: 0.9485823558703277
Energy: 1.100838181545942
Energy: 0.8798679952535914
Energy: 1.100838181545942
Energy: 0.9350927648270614
Energy: 1.0845209931484663
Energy: 0.8955674248391406
Energy: 1.0845209931492286
Energy: 0.8960915195967903
Energy: 1.2939517952895683
Energy: 0.9595034852083089
Energy: 1.2939517952903306
Energy: 0.9377204135005789
Energy: 1.099130699848172
Energy: 0.8806348816673406
Energy: 1.099130699848172
Energy: 0.9392434648281648
Energy: 1.0891749046994776
Energy: 0.9472669868470475
Energy: 1.0891749046994776
Energy: 0.8701554867811584
Energy: 1.083935482410885
Energy: 0.9487678021183065
Energy: 1.083935482410885
Energy: 0.9544319727021267
Energy: 1.0946038846457602
Energy: 0.9518149109883483
Energy: 1.094603884644998
Energy: 0.9625935446616963
Energy: 1.0983424921629696
Energy: 0.9001969588601192
Energy: 1.0983424921637317
Energy: 0.960240123096418
Energy: 1.0909782505969066
Energy: 0.9551804768730963
Energy: 1.0909782505961445
Energy: 0.9403196951016043
Energy: 1.0857749508321421
Energy: 0.9583485593345068
Energy: 1.0857749508329047
Energy: 0.9410780807969666
Energy: 1.1060523691755442
Energy: 0.9499285436642293
Energy: 1.1060523691755442

minimum gb energy = 0.8010514004818398 eV
minimum distance =  2.28834848698385 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.063936654067324
Energy: 1.1839913697069826
Energy: 0.9529716789751994
Energy: 1.183991369704375
Energy: 1.009601355739866
Energy: 1.1212232134712468
Energy: 1.011067511733745
Energy: 1.1212232134712468
Energy: 0.9278885177719838
Energy: 1.1832745325117637
Energy: 1.0050621393227177
Energy: 1.1832745325135021
Energy: 1.0038213291522993
Energy: 1.1038477588184599
Energy: 0.9529887832224275
Energy: 1.103847758819329
Energy: 1.0035472420065137
Energy: 1.1613273887423223
Energy: 1.0107385919844418
Energy: 1.1613273887388458
Energy: 0.988799220610855
Energy: 1.16107528619302
Energy: 0.9763592110699895
Energy: 1.16107528619302
Energy: 1.0093675981640484
Energy: 1.1052887612159787
Energy: 0.9803980248837849
Energy: 1.1052887612159787
Energy: 0.8538824347978189
Energy: 1.1832913448793783
Energy: 0.9597075468546591
Energy: 1.1832913448785092
Energy: 1.0038135298991304
Energy: 1.026299895451196
Energy: 1.015477404070489
Energy: 1.0262998954503266
Energy: 1.0069181045636164
Energy: 1.1836148020540678
Energy: 0.869144358183462
Energy: 1.1836148020558062
Energy: 1.0091221279337483
Energy: 1.104954781729217
Energy: 1.0199538944610975
Energy: 1.1049547817309555
Energy: 0.9305130324524055
Energy: 1.172081540306493
Energy: 1.0142110385286558
Energy: 1.1720815403047544
Energy: 1.030065936471381
Energy: 1.1617886183955732
Energy: 1.0030967079077928
Energy: 1.1617886183947042
Energy: 1.021235805968311
Energy: 1.1617981567273812
Energy: 0.9744303739775657
Energy: 1.1617981567282505
Energy: 0.9304992759805245
Energy: 1.1716666631142365
Energy: 1.0049831793723896
Energy: 1.1716666631151056
Energy: 1.009206084734394
Energy: 1.1049716301136203
Energy: 1.0115503516185778
Energy: 1.1049716301144896
Energy: 1.0069682160982796
Energy: 1.1833324794171696
Energy: 0.881956699080441
Energy: 1.1833324794163003
Energy: 1.0037477184870685
Energy: 1.0262998384981552
Energy: 1.015653922306306
Energy: 1.0262998384998934
Energy: 0.8538312417237834
Energy: 1.1831716299185455
Energy: 0.9600874443840235
Energy: 1.1831716299194146
Energy: 1.0091996532548775
Energy: 1.1059814946379734
Energy: 0.9528378259803263
Energy: 1.1059814946371043
Energy: 0.9885476980286594
Energy: 1.161342931378145
Energy: 0.965568708477738
Energy: 1.161342931379014
Energy: 1.0038584643718413
Energy: 1.1610559045082403
Energy: 1.0063755263839174
Energy: 1.161055904507371
Energy: 1.0039175527861155
Energy: 1.1036400371096189
Energy: 0.9445440680060122
Energy: 1.1036400371122264
Energy: 0.9278275551648404
Energy: 1.1830068085702978
Energy: 1.005246993981101
Energy: 1.1830068085702978
Energy: 1.0096137226687325
Energy: 1.121108362355057
Energy: 1.0110129991992152
Energy: 1.1211083623559261
Energy: 1.063936654067324
Energy: 1.1839913697069826
Energy: 0.9366291649986739
Energy: 1.183991369704375
Energy: 1.0096013557407353
Energy: 1.1212232134712468
Energy: 1.0110675117354835
Energy: 1.1212232134712468
Energy: 0.9278885177711146
Energy: 1.1832745325126328
Energy: 1.0209984310604852
Energy: 1.1832745325135021
Energy: 1.0038213291522993
Energy: 1.1038477588184599
Energy: 0.955296580312657
Energy: 1.103847758819329

minimum gb energy = 0.8538312417237834 eV
minimum distance =  2.27541696198224 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.1321749803003414
Energy: 1.2584211740033284
Energy: 0.9796069335217135
Energy: 1.2584211740033284
Energy: 1.1012359493314685
Energy: 1.1878025717408605
Energy: 1.088904637250449
Energy: 1.187802571741871
Energy: 1.0012141047414747
Energy: 1.289592307665246
Energy: 1.0931551116688918
Energy: 1.289592307665246
Energy: 1.0732726985042709
Energy: 1.2132536443649364
Energy: 1.0240100345115322
Energy: 1.2132536443649364
Energy: 1.0239145476926956
Energy: 1.2571316118057982
Energy: 1.0149961704105661
Energy: 1.2571316118047875
Energy: 1.0792208558302945
Energy: 1.2904262916506632
Energy: 1.099373149302183
Energy: 1.2904262916516736
Energy: 1.1023860354346133
Energy: 1.0985922615714532
Energy: 1.0583984391909156
Energy: 1.0985922615714532
Energy: 1.0202982449025153
Energy: 1.2623399234898829
Energy: 0.9483840082886362
Energy: 1.2623399234898829
Energy: 1.0584344851689307
Energy: 1.1867378850702857
Energy: 1.102500028109761
Energy: 1.1867378850702857
Energy: 1.0965867493033077
Energy: 1.2902199645021404
Energy: 1.0068101353820575
Energy: 1.2902199645021404
Energy: 1.078521333380871
Energy: 1.2579179687881232
Energy: 1.0895469624744087
Energy: 1.2579179687881232
Energy: 1.030126328806855
Energy: 1.2597515925937433
Energy: 1.0888422939087226
Energy: 1.2597515925937433
Energy: 1.0927112941376185
Energy: 1.2094718988356177
Energy: 1.0068781956485793
Energy: 1.2094718988346076
Energy: 1.0575109785555266
Energy: 1.1001953862825646
Energy: 1.1010403404625544
Energy: 1.1001953862845852
Energy: 0.9468911204478724
Energy: 1.2582841614614333
Energy: 0.9460504369898549
Energy: 1.2582841614614333
Energy: 1.0896772269220545
Energy: 1.09855921439048
Energy: 1.0252683174695012
Energy: 1.09855921439048
Energy: 0.916162732285423
Energy: 1.2894955040728588
Energy: 0.9164076875311108
Energy: 1.2894955040728588
Energy: 1.0242072144292167
Energy: 1.2584692942964217
Energy: 1.0756193626359147
Energy: 1.2584692942974323
Energy: 1.0074694967533977
Energy: 1.2138175352756353
Energy: 1.024298045426911
Energy: 1.2138175352756353
Energy: 1.098264098713458
Energy: 1.2896781306393297
Energy: 1.0936819962328972
Energy: 1.2896781306403402
Energy: 1.1077299651546726
Energy: 1.1865765335571379
Energy: 1.0919541240591943
Energy: 1.1865765335571379
Energy: 1.129182028565339
Energy: 1.2599726039179808
Energy: 1.0491458672303153
Energy: 1.2599726039179808
Energy: 1.100226454624518
Energy: 1.1937615557725183
Energy: 1.088864133816412
Energy: 1.1937615557725183
Energy: 0.9993298487769786
Energy: 1.2941835875732741
Energy: 1.0970222728445334
Energy: 1.2941835875722636
Energy: 1.0892046486451545
Energy: 1.113377504944307
Energy: 1.023619015904342
Energy: 1.1133775049432968

minimum gb energy = 0.916162732285423 eV
minimum distance =  2.27483126432848 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.402279709447932
Energy: 1.3285150240389636
Energy: 1.1020505346103902
Energy: 1.3285150240389636
Energy: 1.2020877360589295
Energy: 1.3534671294840115
Energy: 1.1618585448506598
Energy: 1.3534671294840115
Energy: 1.0842220405928396
Energy: 1.2271088934257746
Energy: 1.1688888595115736
Energy: 1.2271088934257746
Energy: 1.2172366727203499
Energy: 1.3727425084439122
Energy: 1.0843476343480138
Energy: 1.3727425084439122
Energy: 1.1987808232456219
Energy: 1.2995126590316612
Energy: 1.106697810818747
Energy: 1.2995126590316612
Energy: 1.0503479623007725
Energy: 1.211996907736979
Energy: 1.0872070857184843
Energy: 1.211996907736979
Energy: 1.2217075668826645
Energy: 1.0373672973360617
Energy: 1.0414203466351468
Energy: 1.0373672973360617
Energy: 1.0147126974278227
Energy: 1.2113294495463633
Energy: 1.09699333769802
Energy: 1.2113294495463633
Energy: 1.2156487848348547
Energy: 1.3000312108832035
Energy: 1.1623368951310544
Energy: 1.3000312108832035
Energy: 1.2193097732898572
Energy: 1.3287172821413733
Energy: 1.1296674318067383
Energy: 1.3287172821413733
Energy: 1.0933574395423085
Energy: 1.351986917674495
Energy: 1.2096563556618554
Energy: 1.3519869176757005
Energy: 1.218130617642997
Energy: 1.2148198243620045
Energy: 1.0839231995954959
Energy: 1.2148198243620045
Energy: 1.0649341331411182
Energy: 1.226758869720479
Energy: 0.9868423486026026
Energy: 1.2267588697216845
Energy: 1.1083651688148097
Energy: 1.3075809979726585
Energy: 1.1922312343200863
Energy: 1.307580997971453
Energy: 1.0648218290297022
Energy: 1.2262453676009937
Energy: 1.0143681035385288
Energy: 1.2262453676009937
Energy: 1.2160861661377744
Energy: 1.2145515827138276
Energy: 1.0369423262451252
Energy: 1.2145515827150328
Energy: 1.1517584997444144
Energy: 1.3353397504201525
Energy: 1.1681964882248046
Energy: 1.3353397504201525
Energy: 1.193223430170377
Energy: 1.3330111972189298
Energy: 1.0847283811482191
Energy: 1.3330111972189298
Energy: 1.1861782807150045
Energy: 1.2436081598806679
Energy: 1.122394763313373
Energy: 1.2436081598806679
Energy: 1.0678563892176949
Energy: 1.2141247172885903
Energy: 1.0961379500919233
Energy: 1.2141247172885903
Energy: 1.2197138023145953
Energy: 1.2488256937435884
Energy: 1.088846856059737
Energy: 1.2488256937447941

minimum gb energy = 0.9868423486026026 eV
minimum distance =  2.28277264427225 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.1218327145517155
Energy: 1.440597826388978
Energy: 1.2550689957365178
Energy: 1.440597826388978
Energy: 1.0967510142943342
Energy: 1.4542619982683749
Energy: 1.0730578548792906
Energy: 1.4542619982683749
Energy: 1.0752233801108257
Energy: 1.4745267080496476
Energy: 1.0729207904939908
Energy: 1.4745267080496476
Energy: 1.1180933515192018
Energy: 1.4414974956754634
Energy: 1.1591157260705733
Energy: 1.4414974956754634
Energy: 1.1616042839024372
Energy: 1.0938648543713112
Energy: 1.1753794801306194
Energy: 1.0938648543713112
Energy: 1.0786991121880771
Energy: 1.4711775298432754
Energy: 1.0784682667202912
Energy: 1.4711775298432754
Energy: 1.1242310841043417
Energy: 1.2785807334651864
Energy: 1.0736579856606259
Energy: 1.2785807334666772
Energy: 1.159506982317874
Energy: 1.438523277143703
Energy: 1.1170459924874023
Energy: 1.438523277143703
Energy: 1.0731361928287348
Energy: 1.2881685667170464
Energy: 1.0980002155950241
Energy: 1.2881685667170464
Energy: 1.2202428362094742
Energy: 1.312552133359262
Energy: 1.07447634341389
Energy: 1.312552133359262
Energy: 1.139804219484782
Energy: 1.4406591157096635
Energy: 1.2330856507501924
Energy: 1.4406591157096635
Energy: 1.0728497202804053
Energy: 1.129992015828535
Energy: 1.2259023236815862
Energy: 1.129992015828535
Energy: 1.1825244530379604
Energy: 1.4748426662633092
Energy: 1.0742923313759574
Energy: 1.4748426662633092
Energy: 1.0737981439449402
Energy: 1.4405390626635914
Energy: 1.1197846941949283
Energy: 1.4405390626635914
Energy: 1.1214578140384033
Energy: 1.4402318625453743
Energy: 1.162684350664517
Energy: 1.4402318625453743
Energy: 1.0957701885092064
Energy: 1.475242240870641
Energy: 1.0786662247254115
Energy: 1.475242240870641
Energy: 1.0739725641540656
Energy: 1.1754661664575683
Energy: 1.2246555093790075
Energy: 1.1754661664560777

minimum gb energy = 1.0728497202804053 eV
minimum distance =  2.32008290299238 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.3039049877629754
Energy: 1.299466408557233
Energy: 1.314690358115612
Energy: 1.2994664085580772
Energy: 1.2654944923714746
Energy: 1.2682952166199577
Energy: 1.1184744849923147
Energy: 1.2682952166199577
Energy: 1.1924770916217398
Energy: 1.2785367400254466
Energy: 1.1180635686643066
Energy: 1.2785367400246024
Energy: 1.1217428856546536
Energy: 1.2994024093091543
Energy: 1.2618710129455184
Energy: 1.2994024093091543
Energy: 1.2407794079548233
Energy: 1.366721600192895
Energy: 1.1844151808838799
Energy: 1.3667216001920506
Energy: 1.1428613444617322
Energy: 1.2925423433552254
Energy: 1.1706876066582952
Energy: 1.2925423433543812
Energy: 1.124922140049548
Energy: 1.2668129832992139
Energy: 1.1234928216213245
Energy: 1.2668129832983697
Energy: 1.1727612767633377
Energy: 1.2925231363183864
Energy: 1.1366004889456574
Energy: 1.2925231363192309
Energy: 1.1445651050070356
Energy: 1.3416371112811436
Energy: 1.2270269972652101
Energy: 1.3416371112802996
Energy: 1.2854182646442631
Energy: 1.2419706212187827
Energy: 1.1188308643459508
Energy: 1.2419706212187827
Energy: 1.125395860857066
Energy: 1.2984538093300884
Energy: 1.1972714212065376
Energy: 1.2984538093300884
Energy: 1.1406692864348011
Energy: 1.2684723929519257
Energy: 1.1411656858381711
Energy: 1.26847239295277
Energy: 1.2531491133931438
Energy: 1.2983820928465073
Energy: 1.2986863621040756
Energy: 1.2983820928465073
Energy: 1.1181965958418427
Energy: 1.456041316032904
Energy: 1.2082360001304624
Energy: 1.456041316032904
Energy: 1.21934221387818
Energy: 1.3503357193071366
Energy: 1.1402003601397241
Energy: 1.3503357193071366
Energy: 1.19029489894732
Energy: 1.2933784581086367
Energy: 1.1721303610945981
Energy: 1.2933784581086367
Energy: 1.1234638082406803
Energy: 1.3376138255213907
Energy: 1.3272243253570095
Energy: 1.3376138255197023
Energy: 1.196576917863756
Energy: 1.2839501859513422
Energy: 1.1425696936829397
Energy: 1.2839501859513422
Energy: 1.2769015422817327
Energy: 1.3508961556355612
Energy: 1.1835486698606166
Energy: 1.3508961556355612
Energy: 1.2739388842135766
Energy: 1.2930908026423074
Energy: 1.1220678168373912
Energy: 1.2930908026431518
Energy: 1.146205335937328
Energy: 1.2840840149675934
Energy: 1.1921331055109803
Energy: 1.2840840149675934
Energy: 1.122854378735843
Energy: 1.2940876012962579
Energy: 1.2868549406553622
Energy: 1.2940876012962579
Energy: 1.249513132163432
Energy: 1.29927168739274
Energy: 1.1198739716616855
Energy: 1.2992716873944286
Energy: 1.228782372032008
Energy: 1.3469545832305614
Energy: 1.1932909729686367
Energy: 1.3469545832305614
Energy: 1.2964849033326897
Energy: 1.2785993636833608
Energy: 1.2498241653530753
Energy: 1.2785993636833608
Energy: 1.281090325663549
Energy: 1.300264786601223
Energy: 1.1212170484896908
Energy: 1.3002647866029113
Energy: 1.1497084776168855
Energy: 1.2925249423584708
Energy: 1.332646765861306
Energy: 1.2925249423584708
Energy: 1.170643558007087
Energy: 1.310499000960139
Energy: 1.1935509444218555
Energy: 1.310499000960139
Energy: 1.326878924835647
Energy: 1.4420129131387227
Energy: 1.1243942495453516
Energy: 1.4420129131387227
Energy: 1.1369765872958921
Energy: 1.3514708644153957
Energy: 1.1973183441762032
Energy: 1.3514708644145514

minimum gb energy = 1.1180635686643066 eV
minimum distance =  2.26707052836636 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.1175707436024922
Energy: 1.1153487818222694
Energy: 1.349082478107494
Energy: 1.1153487818222694
Energy: 1.2635397101124102
Energy: 1.2289633848273507
Energy: 1.1367281907979285
Energy: 1.2289633848273507
Energy: 1.1182779768649094
Energy: 1.1153587543935377
Energy: 1.1366211038475031
Energy: 1.1153587543935377
Energy: 1.1185611958347703
Energy: 1.1157660275419363
Energy: 1.1068493088875961
Energy: 1.1157660275399928
Energy: 1.2636465527525875
Energy: 1.2289116087943892
Energy: 1.155985028448878
Energy: 1.2289116087982763
Energy: 1.1175707436024922
Energy: 1.1153487818222694
Energy: 1.252277262203309
Energy: 1.1153487818222694
Energy: 1.2635397101124102
Energy: 1.2289633848273507
Energy: 1.2123694520276642
Energy: 1.2289633848273507
Energy: 1.1182779768649094
Energy: 1.1153587543935377
Energy: 1.1067548197553847
Energy: 1.1153587543935377
Energy: 1.1185611958347703
Energy: 1.1157660275419363
Energy: 1.1367304500796795
Energy: 1.1157660275399928
Energy: 1.2636465527525875
Energy: 1.2289116087963328
Energy: 1.261287475828772
Energy: 1.2289116087982763
Energy: 1.1175707436024922
Energy: 1.1153487818222694
Energy: 1.205630215936309
Energy: 1.1153487818222694
Energy: 1.2635397101124102
Energy: 1.2289633848273507
Energy: 1.2069853249727733
Energy: 1.2289633848273507
Energy: 1.1182779768649094
Energy: 1.1153587543935377
Energy: 1.2689654208444356
Energy: 1.1153587543935377

minimum gb energy = 1.1067548197553847 eV
minimum distance =  2.30877063080149 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.2311759769908097
Energy: 1.2609541829549908
Energy: 1.434535713484574
Energy: 1.260954182953552
Energy: 1.343073452253612
Energy: 1.245069870329251
Energy: 1.1974260820978373
Energy: 1.2450698703299705
Energy: 1.147033468334155
Energy: 1.2116973217652125
Energy: 1.163823669215755
Energy: 1.2116973217652125
Energy: 1.2051395629467192
Energy: 1.5308315795031209
Energy: 1.1576843449978058
Energy: 1.5308315795031209
Energy: 1.2509274513837119
Energy: 1.2746008224039924
Energy: 1.1750927629842138
Energy: 1.2746008224032734
Energy: 1.213538950342096
Energy: 1.2114728299758766
Energy: 1.1997468698997462
Energy: 1.2114728299758766
Energy: 1.3772894543829681
Energy: 1.2669314491264498
Energy: 1.2092561736358212
Energy: 1.2669314491264498
Energy: 1.1628050620339108
Energy: 1.535461308572687
Energy: 1.2676464170456694
Energy: 1.5354613085734063
Energy: 1.15035471743956
Energy: 1.5456238441341164
Energy: 1.2210335734508297
Energy: 1.5456238441362742
Energy: 1.1484720198001839
Energy: 1.24037095872946
Energy: 1.1986362754517172
Energy: 1.24037095872946
Energy: 1.1651439766257679
Energy: 1.2215536391913664
Energy: 1.3144565122811847
Energy: 1.221553639197121
Energy: 1.3339967536139923
Energy: 1.3411607188056995
Energy: 1.152676526584576
Energy: 1.341160718808577
Energy: 1.1495324938542375
Energy: 1.2397795614653822
Energy: 1.2958164648989012
Energy: 1.239779561454592
Energy: 1.2108917727023276
Energy: 1.538299399462488
Energy: 1.2375640317696377
Energy: 1.5382993994632073
Energy: 1.210444670418606
Energy: 1.37837510187352
Energy: 1.2298911478515973
Energy: 1.3783751018756778
Energy: 1.1533851357850027
Energy: 1.5457444431377445
Energy: 1.1952251731341306
Energy: 1.5457444431377445
Energy: 1.206620523944536
Energy: 1.378070062933464
Energy: 1.1643816254991515
Energy: 1.378070062933464
Energy: 1.1682771851023923
Energy: 1.267650970789236
Energy: 1.31342084585628
Energy: 1.2676509707885169
Energy: 1.3176647053581168
Energy: 1.2408331803086168
Energy: 1.2161176524589683
Energy: 1.2408331803086168
Energy: 1.192062170026849
Energy: 1.2582788604959823
Energy: 1.2282216038657126
Energy: 1.2582788604967017
Energy: 1.2115061575454522
Energy: 1.5293503695649644
Energy: 1.2074739351761419
Energy: 1.5293503695642452
Energy: 1.2279388838282435
Energy: 1.2828433027321355
Energy: 1.1481288823807327
Energy: 1.2828433027342936
Energy: 1.219739923191548
Energy: 1.4036312521194552
Energy: 1.1504013383971468
Energy: 1.4036312521216132
Energy: 1.3730287602468085
Energy: 1.2047115042421779
Energy: 1.1625104619051863
Energy: 1.2047115042479326
Energy: 1.1972547822094
Energy: 1.3397724181621071
Energy: 1.4180541126868025
Energy: 1.3397724181621071
Energy: 1.1791655553144873
Energy: 1.211552786552778
Energy: 1.147897254218461
Energy: 1.2115527865534972
Energy: 1.2324203572068664
Energy: 1.3801591819202679
Energy: 1.2046923922148118
Energy: 1.3801591819202679
Energy: 1.2520838571830932
Energy: 1.5307484765742836
Energy: 1.2054408948132282
Energy: 1.5307484765742836
Energy: 1.202014092204396
Energy: 1.2116633309744533
Energy: 1.1465059208542872
Energy: 1.2116633309744533
Energy: 1.196770736467371
Energy: 1.343639288691622
Energy: 1.4198664683482456
Energy: 1.3436392886887447
Energy: 1.3791976079113248
Energy: 1.205956195077511
Energy: 1.1618437029239914
Energy: 1.2059561950760724
Energy: 1.1972439838231435
Energy: 1.2698842959316048
Energy: 1.1479465739996484
Energy: 1.2698842959316048
Energy: 1.1978658162708353
Energy: 1.2836383082882339
Energy: 1.1472990252636852
Energy: 1.2836383082896727
Energy: 1.202486036452922
Energy: 1.5308070591190228
Energy: 1.2046352445234143
Energy: 1.5308070591183034
Energy: 1.1641396392775167
Energy: 1.414234218749256
Energy: 1.3768549765545826
Energy: 1.414234218749256

minimum gb energy = 1.1465059208542872 eV
minimum distance =  2.27741559862678 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.2652405547678787
Energy: 1.2657519354542186
Energy: 1.2909456759409805
Energy: 1.2657519354542186
Energy: 1.3038244475724101
Energy: 1.3377036168320076
Energy: 1.2110141814804338
Energy: 1.3377036168331489
Energy: 1.165894538144622
Energy: 1.2085966632475162
Energy: 1.1853701981912677
Energy: 1.2085966632475162
Energy: 1.1264952929357097
Energy: 1.430332101235839
Energy: 1.190201395298425
Energy: 1.430332101235839
Energy: 1.173066256835624
Energy: 1.3104419893314045
Energy: 1.1869263833440253
Energy: 1.3104419893314045
Energy: 1.197522665893342
Energy: 1.2549461082216817
Energy: 1.2188373559090782
Energy: 1.2549461082216817
Energy: 1.4000572259637454
Energy: 1.3528898989148717
Energy: 1.158922307236014
Energy: 1.3528898989148717
Energy: 1.1552306790014482
Energy: 1.2311238609599002
Energy: 1.3700627715028635
Energy: 1.2311238609610415
Energy: 1.289981727943825
Energy: 1.2323532850498693
Energy: 1.2298774267773243
Energy: 1.2323532850498693
Energy: 1.1618853426650937
Energy: 1.2536387293677922
Energy: 1.16185806910951
Energy: 1.2536387293666509
Energy: 1.1519373374246056
Energy: 1.2321966168623282
Energy: 1.2580875797074471
Energy: 1.2321966168634695
Energy: 1.2699736354578177
Energy: 1.4282059772368476
Energy: 1.125900672593762
Energy: 1.428205977237989
Energy: 1.1902339673933342
Energy: 1.3003934723638306
Energy: 1.3673903574227488
Energy: 1.3003934723638306
Energy: 1.2813423940592878
Energy: 1.4080173584104598
Energy: 1.196478735784663
Energy: 1.4080173584104598
Energy: 1.1243105925379524
Energy: 1.411059195304054
Energy: 1.3742120210155442
Energy: 1.4110591953051954
Energy: 1.257550897045822
Energy: 1.231196087799621
Energy: 1.155550543049587
Energy: 1.231196087799621
Energy: 1.2703432016291005
Energy: 1.2674348575177752
Energy: 1.166190546334177
Energy: 1.2674348575177752
Energy: 1.217463330437435
Energy: 1.4212498757351408
Energy: 1.161842461425598
Energy: 1.4212498757339995
Energy: 1.122411391275211
Energy: 1.231163759745934
Energy: 1.1545467313473832
Energy: 1.231163759747075
Energy: 1.211043456788971
Energy: 1.2882082783218511
Energy: 1.4435741472168364
Energy: 1.2882082783036164
Energy: 1.3058382622400333
Energy: 1.2430993505259509
Energy: 1.1960123195347951
Energy: 1.2430993505270924
Energy: 1.2068568664962265
Energy: 1.3082035761466513
Energy: 1.2848027954383276
Energy: 1.3082035761466513

minimum gb energy = 1.122411391275211 eV
minimum distance =  2.28856394425221 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.2665575775991869
Energy: 1.2623884920305812
Energy: 1.4324134092134873
Energy: 1.262388492028967
Energy: 1.352179507765726
Energy: 1.204857826510301
Energy: 1.2054961078515414
Energy: 1.20485782650788
Energy: 1.1778712265846814
Energy: 1.4679914145250632
Energy: 1.1676529197596317
Energy: 1.4679914145250632
Energy: 1.1426692120865636
Energy: 1.337046053579136
Energy: 1.2070682675973636
Energy: 1.3370460535767148
Energy: 1.1832022692034445
Energy: 1.2888312372877353
Energy: 1.1744871176179075
Energy: 1.2888312372901563
Energy: 1.1811115861547188
Energy: 1.262868233210438
Energy: 1.2738405768867573
Energy: 1.2628682332088237
Energy: 1.3861316412161995
Energy: 1.4364468467601053
Energy: 1.1615940879839606
Energy: 1.4364468467343174
Energy: 1.1807489407866891
Energy: 1.2630655504263382
Energy: 1.409749201717744
Energy: 1.2630655504271449
Energy: 1.2900096830790162
Energy: 1.3165302140477009
Energy: 1.2033692480504008
Energy: 1.3165302140477009
Energy: 1.1794541190235
Energy: 1.296395428769547
Energy: 1.2697770841565492
Energy: 1.296395428770354
Energy: 1.1481053827774481
Energy: 1.467113881236377
Energy: 1.1617081911365192
Energy: 1.467113881233956
Energy: 1.2327826414344185
Energy: 1.2895507068387524
Energy: 1.1583533148798808
Energy: 1.2895507068395593
Energy: 1.2317373180585898
Energy: 1.2647372208884693
Energy: 1.1620266238433057
Energy: 1.2647372208876624
Energy: 1.1680916264395476
Energy: 1.2472771833939726
Energy: 1.1576624402200295
Energy: 1.247277183395587
Energy: 1.1809055546222123
Energy: 1.3747714638944855
Energy: 1.3871296024033946
Energy: 1.3747714638944855
Energy: 1.3357869978647405
Energy: 1.2471379411796266
Energy: 1.1994405725671837
Energy: 1.2471379411804338
Energy: 1.1817808090836903
Energy: 1.2894574142365016
Energy: 1.3236738444507097
Energy: 1.2894574142405364
Energy: 1.181737441065809
Energy: 1.2488667015307715
Energy: 1.1581278029970554
Energy: 1.2488667015307715
Energy: 1.1805146510646647
Energy: 1.2630521367749907
Energy: 1.1618933992436773
Energy: 1.2630521367749907
Energy: 1.1793586610156053
Energy: 1.2888236567582803
Energy: 1.1586673575643738
Energy: 1.2888236567598943
Energy: 1.1474386341083664
Energy: 1.420697635350035
Energy: 1.2034108388803693
Energy: 1.420697635346
Energy: 1.1799716167030034
Energy: 1.4609906269783843
Energy: 1.3496980395774294
Energy: 1.4609906269808055
Energy: 1.3366072668654354
Energy: 1.4318472071446104
Energy: 1.1613769492932122
Energy: 1.4318472071421893
Energy: 1.2696821322691192
Energy: 1.2630467125077391
Energy: 1.2656192941409636
Energy: 1.2630467125085458
Energy: 1.2133509388824422
Energy: 1.2894908763502069
Energy: 1.1618523557753078
Energy: 1.2894908763510138
Energy: 1.1419514709011187
Energy: 1.4655030048720554
Energy: 1.1665373048333898
Energy: 1.4655030048728623
Energy: 1.1805768137108903
Energy: 1.2965093452488727
Energy: 1.2453109705492733
Energy: 1.2965093452480656
Energy: 1.1430884042881286
Energy: 1.2893865359612064
Energy: 1.2056897551869266
Energy: 1.2893865359612064
Energy: 1.1770394856907145
Energy: 1.2628987485289198
Energy: 1.2378621094636306
Energy: 1.262898748529727
Energy: 1.4033425004658842
Energy: 1.226738794419113
Energy: 1.2060357655039216
Energy: 1.226738794419113
Energy: 1.177032892174063
Energy: 1.2629448967607817
Energy: 1.3580160642144743
Energy: 1.2629448967607817

minimum gb energy = 1.1419514709011187 eV
minimum distance =  2.27342438607403 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.1917882333777103
Energy: 1.1973755922290386
Energy: 1.082168897765615
Energy: 1.1973755922293194
Energy: 1.1266750041830975
Energy: 1.2122977847795477
Energy: 1.214876746974737
Energy: 1.2122977847778924
Energy: 1.0796061254658122
Energy: 1.2808448180875984
Energy: 1.1252065224885168
Energy: 1.280844818087879
Energy: 1.213067595564589
Energy: 1.237229100875816
Energy: 1.214563714131834
Energy: 1.237229100875816
Energy: 1.1901866689485596
Energy: 1.2693575491184876
Energy: 1.1197187829026773
Energy: 1.2693575491184876
Energy: 1.0804984855398756
Energy: 1.307089701220647
Energy: 1.0802481413958709
Energy: 1.3070897012203657
Energy: 1.0799597424024039
Energy: 1.269303760685111
Energy: 1.190058776433525
Energy: 1.269303760685111
Energy: 1.214724750052687
Energy: 1.2374648661392107
Energy: 1.2128152805315136
Energy: 1.2374648661383674
Energy: 1.1242651964680583
Energy: 1.2810047184469135
Energy: 1.1247431824816034
Energy: 1.2810047184469135

minimum gb energy = 1.0796061254658122 eV
minimum distance =  2.30324504797157 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.1496115117776047
Energy: 1.1710226488675168
Energy: 1.0854112832640532
Energy: 1.1710226488667548
Energy: 1.3966100132868489
Energy: 1.125846315816534
Energy: 1.095864900224169
Energy: 1.125846315816534
Energy: 1.0842313666764445
Energy: 1.1535050033226362
Energy: 1.2783912083464513
Energy: 1.1535050033233984
Energy: 1.079118753244558
Energy: 1.2065427702288838
Energy: 1.1249659913563737
Energy: 1.2065427702281215
Energy: 1.1100749671377947
Energy: 1.2144359120980928
Energy: 1.2750298537150968
Energy: 1.214435912098855
Energy: 1.1160940799684074
Energy: 1.173294341283168
Energy: 1.1018020501780044
Energy: 1.173294341283168
Energy: 1.084882827075659
Energy: 1.2138864146828006
Energy: 1.0867607986383867
Energy: 1.2138864146835626
Energy: 1.0856756962470617
Energy: 1.1738954468835572
Energy: 1.0907481117319575
Energy: 1.1738954468827947
Energy: 1.1124290366049605
Energy: 1.2131879730973518
Energy: 1.0767996576689587
Energy: 1.213187973098114
Energy: 1.1127037056673899
Energy: 1.2157944962059317
Energy: 1.0715349887880468
Energy: 1.2157944962059317
Energy: 1.0949452256425205
Energy: 1.2030412872380989
Energy: 1.0881052632044699
Energy: 1.2030412872365743
Energy: 1.0868505005447533
Energy: 1.1427896270503806
Energy: 1.1747417950384988
Energy: 1.1427896270519051
Energy: 1.121991071770919
Energy: 1.171890032379819
Energy: 1.1704508945338996
Energy: 1.1718900323805812
Energy: 1.112349657462118
Energy: 1.1715578510998397
Energy: 1.3803736657733912
Energy: 1.1715578510990774
Energy: 1.3076301362793403
Energy: 1.1153067143822089
Energy: 1.0880956721180015
Energy: 1.1153067143837336
Energy: 1.1228409388425513
Energy: 1.1531702299759126
Energy: 1.1008616933919557
Energy: 1.15317022997515
Energy: 1.2752914892841163
Energy: 1.1396802573004912
Energy: 1.1014688737692666
Energy: 1.139680257302778
Energy: 1.1121026252620407
Energy: 1.1719077180075324
Energy: 1.1723356239427651
Energy: 1.1719077180075324
Energy: 1.1090420073905596
Energy: 1.2179491864564913
Energy: 1.0968505539736328
Energy: 1.2179491864557288
Energy: 1.084841406747097
Energy: 1.2321877030368011
Energy: 1.1251119355569532
Energy: 1.2321877030352764
Energy: 1.0721320764922877
Energy: 1.199463555487215
Energy: 1.121915996740545
Energy: 1.199463555487215
Energy: 1.1114749900736864
Energy: 1.2137650982393917
Energy: 1.1111695670356336
Energy: 1.2137650982386292
Energy: 1.0988291932561636
Energy: 1.1729461854597714
Energy: 1.0721985060773922
Energy: 1.1729461854597714
Energy: 1.173923683756541
Energy: 1.2036591922217175
Energy: 1.0850627923838505
Energy: 1.2036591922209554
Energy: 1.1804981348235208
Energy: 1.157172086407043
Energy: 1.093903816773736
Energy: 1.1571720864078052
Energy: 1.1489719310353004
Energy: 1.1719359440847108
Energy: 1.111846848094019
Energy: 1.1719359440831862
Energy: 1.0977755299557521
Energy: 1.1000432554571054
Energy: 1.1319469585203012
Energy: 1.10004325545863
Energy: 1.1070502586125772
Energy: 1.2078330121956373
Energy: 1.122806623678131
Energy: 1.2078330121956373
Energy: 1.0954524161546115
Energy: 1.1257961871761724
Energy: 1.4342414299405182
Energy: 1.1257961871769346
Energy: 1.2391522229534515
Energy: 1.1717927995727717
Energy: 1.112066839673867
Energy: 1.1717927995720094
Energy: 1.1010422494399652
Energy: 1.1356229487394678
Energy: 1.266160735965077
Energy: 1.1356229487394678
Energy: 1.2735155157573907
Energy: 1.1569371128188373
Energy: 1.0874518843920034
Energy: 1.1569371128195995
Energy: 1.1239207104466302
Energy: 1.203469729296267
Energy: 1.0763495889450587
Energy: 1.2034697292947423

minimum gb energy = 1.0715349887880468 eV
minimum distance =  2.29707452789121 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.1137857699330227
Energy: 1.110458426671137
Energy: 1.1265749127388545
Energy: 1.110458426671137
Energy: 1.3339096170804794
Energy: 1.0559322505511208
Energy: 1.0624279073646674
Energy: 1.0559322505521749
Energy: 1.0189901595799045
Energy: 1.111162973397118
Energy: 1.4786180575587222
Energy: 1.111162973398172
Energy: 1.070276333372723
Energy: 1.163295613747884
Energy: 1.0607936831604141
Energy: 1.16329561374683
Energy: 1.0198887262127585
Energy: 1.2062963275318732
Energy: 1.284138466913316
Energy: 1.2062963275297651
Energy: 1.022514093086255
Energy: 1.1579166905973028
Energy: 1.060986171326964
Energy: 1.1579166905951945
Energy: 1.0207573213713943
Energy: 1.210193442747511
Energy: 1.077556484437918
Energy: 1.210193442747511
Energy: 1.0204942626851197
Energy: 1.1140049792045454
Energy: 1.0781765000828198
Energy: 1.1140049792045454
Energy: 1.1168714646995912
Energy: 1.108492846765486
Energy: 1.0768097018136134
Energy: 1.1084928467665398
Energy: 1.1078889560153309
Energy: 1.108382075330506
Energy: 1.0803137586548692
Energy: 1.10838207533156
Energy: 1.0205494610226624
Energy: 1.113934259266534
Energy: 1.070813825154927
Energy: 1.113934259266534
Energy: 1.0200762109157462
Energy: 1.2103469430607812
Energy: 1.0803790723002156
Energy: 1.2103469430618352
Energy: 1.0226176411858026
Energy: 1.1578647326085107
Energy: 1.0612121132223848
Energy: 1.1578647326274834
Energy: 1.0197593002336318
Energy: 1.2054030692771165
Energy: 1.213202232786161
Energy: 1.2054030692760627
Energy: 1.07021884008911
Energy: 1.1631150675373492
Energy: 1.060820307359198
Energy: 1.1631150675373492
Energy: 1.018782974958999
Energy: 1.111178849969366
Energy: 1.074497304776828
Energy: 1.1111788499683117
Energy: 1.3339656979067414
Energy: 1.0559602915616277
Energy: 1.0628235307620406
Energy: 1.0559602915605735
Energy: 1.1137857699330227
Energy: 1.110458426671137
Energy: 1.0460621529820193
Energy: 1.110458426671137
Energy: 1.3339096170825875
Energy: 1.0559322505511208
Energy: 1.0624279073646674
Energy: 1.0559322505521749
Energy: 1.0189901595799045
Energy: 1.111162973397118
Energy: 1.4786180575597765
Energy: 1.111162973398172
Energy: 1.0702763333706147
Energy: 1.163295613747884
Energy: 1.0607936831614684
Energy: 1.16329561374683
Energy: 1.0198887262117042
Energy: 1.2062963275318732
Energy: 1.28413846691437
Energy: 1.2062963275297651
Energy: 1.022514093086255
Energy: 1.1579166905951945
Energy: 1.060986171326964
Energy: 1.1579166905951945
Energy: 1.0207573213713943
Energy: 1.210193442747511
Energy: 1.0725960678198188
Energy: 1.210193442747511

minimum gb energy = 1.018782974958999 eV
minimum distance =  2.30325813309933 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.0885737773702544
Energy: 1.0856693671976736
Energy: 1.2646965807819817
Energy: 1.0856693671963706
Energy: 1.315057977239179
Energy: 1.0688066396074722
Energy: 1.0360164656765445
Energy: 1.0688066396068208
Energy: 1.0362776268190417
Energy: 1.0679238667766555
Energy: 1.3153193232895686
Energy: 1.067923866776004
Energy: 1.0583002535132904
Energy: 1.250548763714576
Energy: 1.0325653276512132
Energy: 1.250548763714576
Energy: 1.0177609172840918
Energy: 1.1484908925837098
Energy: 1.3163314449169674
Energy: 1.1484908925843613
Energy: 1.0066896807415973
Energy: 1.2693072658167368
Energy: 1.0538377164062012
Energy: 1.2693072658154338
Energy: 1.035905984009474
Energy: 1.127174254956588
Energy: 1.0941869741543098
Energy: 1.127174254956588
Energy: 1.017341703571682
Energy: 1.2787048041712734
Energy: 1.016652643164038
Energy: 1.2787048041699705
Energy: 1.0802242114321088
Energy: 1.2794788421140142
Energy: 1.0584899552357243
Energy: 1.2794788421133627
Energy: 1.084375140772058
Energy: 1.1108657766531056
Energy: 1.0362476470210737
Energy: 1.1108657766531056
Energy: 1.0369804483316978
Energy: 1.2494256695492585
Energy: 1.0177221267349164
Energy: 1.2494256695492585
Energy: 1.0390230159740377
Energy: 1.118268310770982
Energy: 1.0194739015030643
Energy: 1.118268310770982
Energy: 1.0054637882182627
Energy: 1.2675703710143535
Energy: 1.034553391187944
Energy: 1.2675703710143535
Energy: 1.0179157771125222
Energy: 1.1475409344196996
Energy: 1.1129742957708086
Energy: 1.1475409344183967
Energy: 1.0205175832984605
Energy: 1.259251033237021
Energy: 1.094171027441442
Energy: 1.2592510332389755
Energy: 1.0362895197338735
Energy: 1.0681897587320806
Energy: 1.3126395723398723
Energy: 1.0681897587301261
Energy: 1.0473437669333836
Energy: 1.261100730413033
Energy: 1.0339026821943602
Energy: 1.2611007304123816
Energy: 1.0316404065079499
Energy: 1.0858382351234863
Energy: 1.0328888484115935
Energy: 1.0858382351234863
Energy: 1.2051127387371885
Energy: 1.1202689198684463
Energy: 1.0368889302693096
Energy: 1.1202689198697495
Energy: 1.054060395440764
Energy: 1.0676753015176843
Energy: 1.1968205455310754
Energy: 1.0676753015176843
Energy: 1.455856034763228
Energy: 1.0583003533646633
Energy: 1.0344386429072385
Energy: 1.0583003533640118
Energy: 1.0349195967171512
Energy: 1.0865282756474446
Energy: 1.323317124748705
Energy: 1.0865282756461416
Energy: 1.1888160882563588
Energy: 1.0499649031375873
Energy: 1.0535576757223908
Energy: 1.0499649031382388
Energy: 1.037337707308582
Energy: 1.1284412213397483
Energy: 1.2206942940884709
Energy: 1.1284412213390969
Energy: 1.046458435332219
Energy: 1.0868828816469052
Energy: 1.0318611864020408
Energy: 1.0868828816456022
Energy: 1.0354838859387823
Energy: 1.1492669422718276
Energy: 1.051090201249068
Energy: 1.1492669422705246
Energy: 1.1798169300588357
Energy: 1.1025395387319576
Energy: 1.037199332477924
Energy: 1.1025395387319576
Energy: 1.0975939701947364
Energy: 1.2592841898484586
Energy: 1.0191849346095438
Energy: 1.259284189850413
Energy: 1.1098215016988382
Energy: 1.1471575690217868
Energy: 1.0188539682503241
Energy: 1.1471575690204838
Energy: 1.0357428997149507
Energy: 1.2671517267094856
Energy: 1.0610174413602365
Energy: 1.267151726710137
Energy: 1.0190481424144042
Energy: 1.1471747765699976
Energy: 1.0376622934169846
Energy: 1.1471747765699976
Energy: 1.01887803376352
Energy: 1.2506276009118984
Energy: 1.034734075617967
Energy: 1.2506276009132011
Energy: 1.0373910692545913
Energy: 1.1105570716751834
Energy: 1.214175511907044
Energy: 1.1105570716732287
Energy: 1.0631077415320531
Energy: 1.2823224449620056
Energy: 1.0566221118594041
Energy: 1.282322444962657
Energy: 1.017189789992581
Energy: 1.0869036498309337
Energy: 1.0509571888229745
Energy: 1.0869036498302822
Energy: 1.08830240441797
Energy: 1.128512545906184
Energy: 1.0347341940668175
Energy: 1.128512545906184
Energy: 1.0532221881233712
Energy: 1.269995226339319
Energy: 1.005698818792303
Energy: 1.269995226339319
Energy: 1.3156864591874349
Energy: 1.1487354616989462
Energy: 1.0346844086873634
Energy: 1.1487354616989462

minimum gb energy = 1.0054637882182627 eV
minimum distance =  2.29433879667807 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.9478130602356645
Energy: 0.9455916911460526
Energy: 0.9317067389479577
Energy: 0.9455916911460526
Energy: 0.950370477013028
Energy: 0.986811219892811
Energy: 0.95370984874286
Energy: 0.986811219892811
Energy: 0.9524719841687254
Energy: 1.1172731971029504
Energy: 1.3764394318813054
Energy: 1.1172731971029504
Energy: 0.9229279923883867
Energy: 0.9869053607404188
Energy: 0.95363906854322
Energy: 0.9869053607404188
Energy: 0.9526492657179861
Energy: 1.0307127195374692
Energy: 1.5793303199224051
Energy: 1.0307127195374692
Energy: 0.9495229594281425
Energy: 0.9470227144958664
Energy: 0.9508453006625547
Energy: 0.9470227144958664
Energy: 0.9530335566523321
Energy: 1.1173548835546274
Energy: 0.9541470432559604
Energy: 1.1173548835546274
Energy: 0.9083904411180909
Energy: 1.1157478022316858
Energy: 0.9531971471371541
Energy: 1.1157478022708531
Energy: 0.9506453703587556
Energy: 1.0313128471736006
Energy: 0.9154706759410015
Energy: 1.0313128471736006
Energy: 0.9879894481976415
Energy: 1.0248824445055127
Energy: 0.9481230286183494
Energy: 1.0248824445055127
Energy: 0.9429245265113957
Energy: 0.9878741035083798
Energy: 0.9535781897713579
Energy: 0.9878741035083798
Energy: 0.9429543800060299
Energy: 1.120565899074888
Energy: 0.9530229626987331
Energy: 1.120565899074888
Energy: 0.9487049837568202
Energy: 0.9483843564323459
Energy: 0.9230495011037575
Energy: 0.9483843564323459
Energy: 0.9502209854786813
Energy: 1.029280833050415
Energy: 0.9497462283508313
Energy: 1.029280833050415
Energy: 0.9072411586985106
Energy: 0.9484023886095381
Energy: 0.9490907034805385
Energy: 0.9484023886095381

minimum gb energy = 0.9072411586985106 eV
minimum distance =  2.31608883061912 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.9217924720872297
Energy: 0.8795923857378726
Energy: 1.1302131640808504
Energy: 0.8795923857378726
Energy: 1.3721883524442444
Energy: 0.9070977537005366
Energy: 0.8632880737322126
Energy: 0.907097753704109
Energy: 0.8820369047700801
Energy: 0.8801619591279339
Energy: 1.3117785623372815
Energy: 0.8801619591322207
Energy: 0.8880268728443014
Energy: 0.9071291183889473
Energy: 0.8598663439373841
Energy: 0.9071291183903764
Energy: 0.8897943788312893
Energy: 0.9430337594655093
Energy: 0.8899959653977664
Energy: 0.9430337594626514
Energy: 0.8682510309599577
Energy: 0.9075949581412832
Energy: 0.894773191728315
Energy: 0.9075949581384253
Energy: 0.8898647004072466
Energy: 0.9495780768174547
Energy: 1.2114995325649025
Energy: 0.9495780768217413
Energy: 0.8478193160201637
Energy: 0.9079139819969625
Energy: 0.8945546283667899
Energy: 0.9079139822112363
Energy: 0.8899901589152441
Energy: 0.9484750217226247
Energy: 1.0508238898204174
Energy: 0.9484750217247682
Energy: 1.0647475090057619
Energy: 0.9692303369038796
Energy: 0.8600404354482463
Energy: 0.9692303369031651
Energy: 0.8899250865116473
Energy: 0.969989969100975
Energy: 0.8671409234331039
Energy: 0.9699899691038327
Energy: 1.206454389126822
Energy: 0.9691382839003755
Energy: 0.8592052729120057
Energy: 0.96913828390109
Energy: 0.9290448617699575
Energy: 0.8996821576717752
Energy: 0.8619398502560642
Energy: 0.8996821576724897
Energy: 1.2317275779629195
Energy: 0.9693823638083063
Energy: 0.8592900600979932
Energy: 0.9693823638097352
Energy: 0.8900633080878998
Energy: 0.8801396134201942
Energy: 0.8589366702936369
Energy: 0.8801396134187653
Energy: 0.8872795185659791
Energy: 0.9699459203244715
Energy: 0.8614408680716545
Energy: 0.9699459203294728
Energy: 0.8810996902838235
Energy: 0.8790981904095988
Energy: 0.8639408982224885
Energy: 0.8790981904110277
Energy: 0.878298292259355
Energy: 0.9460254969459962
Energy: 0.901959855410624
Energy: 0.9460254969402806
Energy: 0.8812257538680441
Energy: 0.9467919606386606
Energy: 0.9022153460571718
Energy: 0.946791960637946
Energy: 0.8812577063747637
Energy: 0.9464682019925439
Energy: 0.9022795460169053
Energy: 0.9464682019961163
Energy: 0.8782789997498214
Energy: 0.9461395002568884
Energy: 0.9023451440317024
Energy: 0.9461395002590317
Energy: 0.8811334977158709
Energy: 0.878971468456659
Energy: 0.8639952854386852
Energy: 0.8789714685351849
Energy: 0.887161075163935
Energy: 0.9698141081629266
Energy: 0.8620647709850399
Energy: 0.9698141081636411
Energy: 0.890052585196478
Energy: 0.8802326548412448
Energy: 0.854703059095627
Energy: 0.8802326548391014
Energy: 1.231908281427397
Energy: 0.9694506600408476
Energy: 0.8591943320097891
Energy: 0.9694506600394186
Energy: 0.9290728512754768
Energy: 0.8997436095313346
Energy: 0.8677790701028887
Energy: 0.8997436095306203
Energy: 1.2067565932278097
Energy: 0.9692349400486968
Energy: 0.8593353851841864
Energy: 0.9692349400522692
Energy: 0.8899511725127187
Energy: 0.9700807811736237
Energy: 0.8673628764446778
Energy: 0.9700807811714804
Energy: 1.0639703605348898
Energy: 0.9692909549913047
Energy: 0.8600164015595642
Energy: 0.9692909549905903
Energy: 0.8899929934327488
Energy: 0.9486524304092069
Energy: 1.1871252030432293
Energy: 0.9486524304070635
Energy: 0.8528670850124566
Energy: 0.907922115274964
Energy: 0.8945167542296538
Energy: 0.9079221152778219
Energy: 0.8900831303549211
Energy: 0.9496336120848595
Energy: 1.3452932189377977
Energy: 0.9496336120891462
Energy: 0.8679968499814986
Energy: 0.9077653874927272
Energy: 0.8945997505719776
Energy: 0.907765387487726
Energy: 0.8897622429984118
Energy: 0.9431650198688531
Energy: 0.8776912877252159
Energy: 0.9431650198674241
Energy: 0.8883344157094037
Energy: 0.9069999583728817
Energy: 0.859856918577861
Energy: 0.9069999583757397

minimum gb energy = 0.8478193160201637 eV
minimum distance =  2.32779024874372 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.8394204984959635
Energy: 0.8370977543293855
Energy: 0.7406804026397721
Energy: 0.8370977543293855
Energy: 1.3629471339227015
Energy: 0.836290025547151
Energy: 0.7737706416940568
Energy: 0.836290025545922
Energy: 0.7893157574210319
Energy: 0.9372799475159656
Energy: 1.0845702923042186
Energy: 0.9372799475159656
Energy: 0.7725505454016531
Energy: 0.8363105295628229
Energy: 0.7741943919606906
Energy: 0.8363105295628229
Energy: 0.7734345982017343
Energy: 0.8362919774337091
Energy: 0.7692850077077638
Energy: 0.8362919774349383
Energy: 0.7472732751517477
Energy: 0.8362759492613496
Energy: 0.7711344588352722
Energy: 0.8362759492601203
Energy: 0.7734163382964753
Energy: 0.8806180384643424
Energy: 1.0820438581233025
Energy: 0.8806180384655715
Energy: 0.7714484886972534
Energy: 0.8378389451601831
Energy: 0.8417040508193604
Energy: 0.8378389451601831
Energy: 0.7731114060063266
Energy: 0.8362241962084369
Energy: 1.0820092917978719
Energy: 0.8362241962084369
Energy: 1.1272310067980749
Energy: 0.9263760250990929
Energy: 0.7713145770040774
Energy: 0.9263760250990929
Energy: 0.7940885054866265
Energy: 0.8801940821239802
Energy: 0.7720122240971102
Energy: 0.8801940821239802
Energy: 1.1422842675116622
Energy: 0.8369361159349727
Energy: 0.7738725554519225
Energy: 0.8369361159349727
Energy: 0.7735666555101055
Energy: 0.8361077728916638
Energy: 0.7478000393571325
Energy: 0.8361077728916638
Energy: 1.0821843443137373
Energy: 0.8802300353047785
Energy: 0.7716205001442679
Energy: 0.8802300353379392
Energy: 0.8422171792873704
Energy: 0.8815843178214912
Energy: 0.7720964474041294
Energy: 0.8815843178214912
Energy: 0.835044296914559
Energy: 0.8365577989945407
Energy: 0.7741781598622808
Energy: 0.8365577989945407
Energy: 0.7732649808823802
Energy: 0.9288287570332515
Energy: 0.746915866921391
Energy: 0.9288287570332515
Energy: 0.768358372411656
Energy: 0.8812147317474781
Energy: 0.7726211016596182
Energy: 0.8812147317437905
Energy: 0.773582834551191
Energy: 0.8384388594264736
Energy: 0.7755924472046917
Energy: 0.8384388594264736
Energy: 0.7696295752678792
Energy: 0.8364388746945259
Energy: 0.7675354424047468
Energy: 0.8364388746932968

minimum gb energy = 0.7406804026397721 eV
minimum distance =  2.33584445630167 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.8952426059459608
Energy: 0.7177318392121482
Energy: 1.236473511721692
Energy: 0.7177318392016334
Energy: 1.3778890863693536
Energy: 0.726142639759332
Energy: 0.7057558985745721
Energy: 0.7261426397583722
Energy: 0.8529630617424638
Energy: 0.7156647837792872
Energy: 0.9226146949495321
Energy: 0.7156647837812069
Energy: 1.042790619447212
Energy: 0.7428455133429123
Energy: 0.7064574481473873
Energy: 0.7428455133429123
Energy: 0.7199509971702429
Energy: 0.7265490747270799
Energy: 0.6884919742249873
Energy: 0.7265490747270799
Energy: 0.7991443639962558
Energy: 0.7156156676506191
Energy: 0.720970762212517
Energy: 0.7156156676486993
Energy: 0.7061614726902078
Energy: 0.7002302170283226
Energy: 1.044254095372156
Energy: 0.7002302170273627
Energy: 0.658429449238531
Energy: 0.7542330484084685
Energy: 0.8412276109166357
Energy: 0.7542330484084685
Energy: 0.7050821308251594
Energy: 0.7301779151776808
Energy: 1.2642955739768111
Energy: 0.7301779151776808
Energy: 0.6646180225692625
Energy: 0.7003479318079446
Energy: 0.7569540594610976
Energy: 0.7003479318079446
Energy: 0.7058576879866472
Energy: 0.7002205006555996
Energy: 1.1674558138320805
Energy: 0.7002205006546398
Energy: 0.974468787327397
Energy: 0.8245707868360175
Energy: 0.8414966210069993
Energy: 0.8245707868360175
Energy: 0.7075751704156
Energy: 0.7429305158493837
Energy: 1.0545124927692369
Energy: 0.7429305158484238
Energy: 1.0000784817296686
Energy: 0.9974348496829352
Energy: 0.7208342860378611
Energy: 0.9974348496829352
Energy: 0.7237609336168201
Energy: 0.7007139588164577
Energy: 0.805260179794637
Energy: 0.7007139588154979
Energy: 1.103397083028998
Energy: 0.824940024808269
Energy: 0.707111744698568
Energy: 0.8249400248063493
Energy: 0.8369798335668363
Energy: 0.7536861591859789
Energy: 0.6587781016585295
Energy: 0.7536861591859789
Energy: 1.0956095335692186
Energy: 0.7263432599876327
Energy: 0.7059951198812795
Energy: 0.7263432599876327
Energy: 0.8962878753773986
Energy: 0.7151269257720091
Energy: 0.6735874709284846
Energy: 0.7151269257729689
Energy: 1.2726862736380078
Energy: 0.8281973502331789
Energy: 0.7074347077562769
Energy: 0.8281973502341388
Energy: 0.8375464700148875
Energy: 1.0437928986987213
Energy: 0.657899355336741
Energy: 1.0437928987006408
Energy: 0.8354290417879421
Energy: 0.7432604296769478
Energy: 0.7102814915129154
Energy: 0.7432604296769478
Energy: 0.7209790640801426
Energy: 0.7008269799543473
Energy: 0.9981938823726603
Energy: 0.7008269799543473
Energy: 0.8020170994735889
Energy: 0.8278956784927001
Energy: 0.724247709976631
Energy: 0.8278956784927001
Energy: 0.7084437087681049
Energy: 0.8241012607751289
Energy: 1.1022263888623247
Energy: 0.8241012607751289
Energy: 0.6712689407724741
Energy: 0.7541175263181956
Energy: 0.8393956462118463
Energy: 0.7541175263172357

minimum gb energy = 0.657899355336741 eV
minimum distance =  2.33640579596556 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.0391194497142568
Energy: 0.6457759679977705
Energy: 0.9046764144139092
Energy: 0.6457759679977705
Energy: 1.3487670091263573
Energy: 0.6278918665227804
Energy: 0.6143603761601967
Energy: 0.6278918665227804
Energy: 0.6461331554998059
Energy: 0.6123294542283022
Energy: 0.5824268551491255
Energy: 0.6123294542275154
Energy: 1.0153961613011995
Energy: 0.6284233393380149
Energy: 0.6145722427074441
Energy: 0.6284233393395886
Energy: 0.6117977073207531
Energy: 0.6656946050256782
Energy: 0.5951345075701284
Energy: 0.6656946050256782
Energy: 0.8119148643196451
Energy: 0.6280914298486899
Energy: 0.6141800728958687
Energy: 0.6280914298494767
Energy: 0.6137521389038612
Energy: 0.6285030534156912
Energy: 0.8853030076811461
Energy: 0.6285030534164783
Energy: 0.589113435580586
Energy: 0.6461690186677613
Energy: 0.6123607972219142
Energy: 0.6461690186685483
Energy: 0.6159846814245387
Energy: 0.6461825400533266
Energy: 1.0817422851461578
Energy: 0.6461825400533266
Energy: 0.5998481174437311
Energy: 0.6119201424419259
Energy: 0.6465360174425678
Energy: 0.6119201424411391
Energy: 0.6139656585032318
Energy: 0.628548626647598
Energy: 1.1859981169317582
Energy: 0.628548626647598
Energy: 0.6025041302158964
Energy: 0.6456965553426046
Energy: 1.0371333204767414
Energy: 0.6456965553418177
Energy: 0.6159975350061251
Energy: 0.6477985147097862
Energy: 1.1856377287339095
Energy: 0.6477985147137209
Energy: 0.8588944299041165
Energy: 0.7100753652503552
Energy: 0.6466606623056675
Energy: 0.7100753652456336
Energy: 0.6140335607971104
Energy: 0.628726359889987
Energy: 1.0126271954857125
Energy: 0.628726359890774
Energy: 0.8636453858317162
Energy: 0.6452538124331283
Energy: 0.6124542417934035
Energy: 0.6452538124323415
Energy: 0.6158540983796017
Energy: 0.6466324279169842
Energy: 0.9057544625041406
Energy: 0.646632427928788
Energy: 0.8554818062499572
Energy: 0.7099314170532302
Energy: 0.6142594993034269
Energy: 0.7099314170532302
Energy: 0.6139308571922276
Energy: 0.6458075169415414
Energy: 0.5995426331746259
Energy: 0.6458075169415414
Energy: 0.8786853381922768
Energy: 0.645189795157816
Energy: 0.6187735576853952
Energy: 0.645189795157816
Energy: 0.6483719645553436
Energy: 0.6461713222310104
Energy: 0.5876572760029573
Energy: 0.6461713222341581
Energy: 1.1866073750914041
Energy: 0.6675130242987977
Energy: 0.6144915911767821
Energy: 0.6675130242940761
Energy: 1.0338568429067145
Energy: 0.64553547535675
Energy: 0.6002071900941449
Energy: 0.6455354753583238
Energy: 1.0393063061720849
Energy: 0.6471690835946666
Energy: 0.6188625628452123
Energy: 0.6471690835938797
Energy: 0.648435971452648
Energy: 0.7073996134514997
Energy: 0.5898177556049484
Energy: 0.7073996134483879
Energy: 1.0097829960970395
Energy: 1.1689295089906089
Energy: 0.614669827228134
Energy: 1.1689295089906089
Energy: 0.6144235155794436
Energy: 0.6452637390502343
Energy: 0.8613848429593698
Energy: 0.6452637390494474
Energy: 0.6289163407118894
Energy: 0.6466086009508888
Energy: 0.6185457874669312
Energy: 0.6466086009516757
Energy: 0.6165052740891148
Energy: 0.7079830181606918
Energy: 0.8548899444263023
Energy: 0.7079830181606918
Energy: 0.5977652423961135
Energy: 0.9485457790948282
Energy: 0.6166315210006912
Energy: 0.9485457790948282
Energy: 0.6184408517327488
Energy: 0.6450629846613358
Energy: 0.8766424738799518
Energy: 0.6450629846605488
Energy: 0.5893667627807616
Energy: 0.6470660136177948
Energy: 0.6513776188495995
Energy: 0.6470660136201555

minimum gb energy = 0.5824268551491255 eV
minimum distance =  2.33618827338841 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.9386522769209151
Energy: 0.5751630443841549
Energy: 0.8725109043272771
Energy: 0.5751630443834884
Energy: 1.342113796599856
Energy: 0.5726907121358564
Energy: 0.5736197487056772
Energy: 0.5726907121351897
Energy: 0.5991386524133793
Energy: 0.5722086039241566
Energy: 0.5297697546187147
Energy: 0.5722086039248233
Energy: 1.0499392010305437
Energy: 0.5723495203231402
Energy: 0.5737145389138918
Energy: 0.5723495206769398
Energy: 0.5721852216739172
Energy: 0.6281841095124059
Energy: 0.9016391272014047
Energy: 0.6281841095124059
Energy: 0.903189730956429
Energy: 0.573037928176259
Energy: 0.5737745251918985
Energy: 0.5730379281695925
Energy: 0.5736884562123288
Energy: 0.5858759811920325
Energy: 0.5572016243383071
Energy: 0.5858759811933659
Energy: 0.7336593001812199
Energy: 0.5865953842076927
Energy: 0.5736712080765742
Energy: 0.5865953842083594
Energy: 0.5749561045838498
Energy: 0.5880088733512193
Energy: 0.7378904044704213
Energy: 0.5880088733512193
Energy: 0.5497961398305834
Energy: 0.5731732621401494
Energy: 0.5725223384565278
Energy: 0.5731732621441492
Energy: 0.5736209115769852
Energy: 0.5723328526524843
Energy: 1.0500287319305854
Energy: 0.5723328526498178
Energy: 0.5441358210626466
Energy: 0.5723589080542023
Energy: 0.5998313092908985
Energy: 0.5723589080522025
Energy: 0.574786138481798
Energy: 0.5879220216729448
Energy: 1.203215592690341
Energy: 0.5879220216742782
Energy: 0.5516160467760916
Energy: 0.5735166195483417
Energy: 0.9349956160669222
Energy: 0.5735166195470084
Energy: 0.5734666674997697
Energy: 0.572568477926663
Energy: 1.1975313823295286
Energy: 0.5725684777967304
Energy: 0.7762761194162086
Energy: 0.5721044136683119
Energy: 0.600163144051312
Energy: 0.5721044136669786
Energy: 0.5750349989548632
Energy: 0.5866497135609868
Energy: 1.0471941176800115
Energy: 0.5866497135616535
Energy: 0.7752919811268185
Energy: 0.6255733746271196
Energy: 0.5725640112876429
Energy: 0.6255733746457247
Energy: 0.5736177802469827
Energy: 0.5727357144752768
Energy: 0.9064937589074191
Energy: 0.5727357144759434
Energy: 0.7699796855064095
Energy: 0.5721880467699344
Energy: 0.5739451814479796
Energy: 0.5721880467766007
Energy: 0.574775842256428
Energy: 0.6067165869034404
Energy: 0.728398536848137
Energy: 0.6067165869421051
Energy: 0.7861574592672004
Energy: 0.5859148111433332
Energy: 0.5764942254935518
Energy: 0.5859148111439998
Energy: 0.5735941138691171
Energy: 0.5722865866471484
Energy: 0.5476593339391588
Energy: 0.5722865865998175
Energy: 1.0979451932306792
Energy: 0.571873123026057
Energy: 0.5740563591492595
Energy: 0.5718731230267234
Energy: 0.6007838894395524
Energy: 0.5997897898469136
Energy: 0.5378968834828254
Energy: 0.5997897898509132
Energy: 1.0699214283075609
Energy: 0.5863152130281031
Energy: 0.5767981274363673
Energy: 0.5863152130254364
Energy: 0.9332480855518329
Energy: 0.5728223851074434
Energy: 0.5477861233787394
Energy: 0.57282238510811
Energy: 1.1947326687479294
Energy: 0.572750074251777
Energy: 0.5737255497031053
Energy: 0.5727500742537768
Energy: 0.6013893240341175
Energy: 0.6550818259075485
Energy: 0.5402465802358857
Energy: 0.6550818259162148
Energy: 0.9232754711635601
Energy: 0.5868190585140675
Energy: 0.5768276139005949
Energy: 0.586819058514734
Energy: 0.573422095975759
Energy: 0.6255425216173262
Energy: 0.776460058693645
Energy: 0.6255425216126598
Energy: 0.9018630625978226
Energy: 0.5723961264562647
Energy: 0.5740556536774859
Energy: 0.5723961264689307
Energy: 0.5749335323367658
Energy: 0.654833004161246
Energy: 0.7675559002942801
Energy: 0.6548330041639125
Energy: 0.5665354846217538
Energy: 0.5999478035272375
Energy: 0.5767333994271809
Energy: 0.5999478035225712
Energy: 0.5522453777986132
Energy: 0.6277254133888398
Energy: 0.7833763657700251
Energy: 0.6277254136400388
Energy: 0.5484118963854512
Energy: 0.5722209616719605
Energy: 0.5753984773405121
Energy: 0.5722209616719605
Energy: 0.5750667020525644
Energy: 0.6534178408089096
Energy: 1.0949733686291299
Energy: 0.653417840920237

minimum gb energy = 0.5297697546187147 eV
minimum distance =  2.34128223509624 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.9571606221494197
Energy: 0.575646937516197
Energy: 1.0821760219496925
Energy: 0.5756469363817467
Energy: 1.3909605463198913
Energy: 0.5607475644930179
Energy: 0.5209793175409545
Energy: 0.5607475644959088
Energy: 0.9236653039668582
Energy: 0.5717791401002903
Energy: 0.6883775416742611
Energy: 0.5717791400997121
Energy: 1.1197367760955936
Energy: 0.5611983383814069
Energy: 0.521024310082617
Energy: 0.5611983383802505
Energy: 0.6443694765845055
Energy: 0.5313477066647541
Energy: 0.4888049121266142
Energy: 0.5313477066635978
Energy: 0.9855562304479378
Energy: 0.5740389605930155
Energy: 0.5212539024060265
Energy: 0.5740389606276793
Energy: 0.6053151751508014
Energy: 0.5796040561719158
Energy: 0.5788427651889773
Energy: 0.5796040561719158
Energy: 0.8521366181081398
Energy: 0.5595203962310964
Energy: 0.5320431576345099
Energy: 0.5595203962316745
Energy: 0.5313943892796964
Energy: 0.5396480150938782
Energy: 0.7397055418167127
Energy: 0.5396480150938782
Energy: 0.7042308811015271
Energy: 0.5727874131809241
Energy: 0.6047247252696017
Energy: 0.5727874131815023
Energy: 0.521872192475775
Energy: 0.5600261746552873
Energy: 1.0628362053819551
Energy: 0.5600261746576001
Energy: 0.5393936668807667
Energy: 0.5594375173670384
Energy: 0.6436438185119147
Energy: 0.5594375173739764
Energy: 0.5208550162271676
Energy: 0.5397521598833922
Energy: 1.1215309925363202
Energy: 0.5397521598828141
Energy: 0.4538683972678955
Energy: 0.5730362433922757
Energy: 0.9208392753965693
Energy: 0.5730362433945619
Energy: 0.5219125707326749
Energy: 0.560592803182817
Energy: 1.2561811278002954
Energy: 0.5605928031822388
Energy: 0.4573688319379758
Energy: 0.5593615666610985
Energy: 0.8873872771223918
Energy: 0.5593615666610985
Energy: 0.5209446776103139
Energy: 0.5406654750388581
Energy: 1.1878229059241996
Energy: 0.5406654750377016
Energy: 0.6650063654023981
Energy: 0.5711438272145809
Energy: 0.9210840775374176
Energy: 0.5711438272093774
Energy: 0.5219627506604947
Energy: 0.5611851340773083
Energy: 1.1194391009383888
Energy: 0.5611851340761519
Energy: 0.6681917590972117
Energy: 0.559483329526922
Energy: 0.643139660466805
Energy: 0.5594833295413764
Energy: 0.5216201019281838
Energy: 0.5504620201617408
Energy: 0.9849710094904579
Energy: 0.5504620201617408
Energy: 0.7416297354563626
Energy: 0.5593361550647726
Energy: 0.6048075170899437
Energy: 0.5593361550653508
Energy: 0.5332383884581732
Energy: 0.5593669515494556
Energy: 0.8514549299359414
Energy: 0.5593669515488774
Energy: 0.7694756948216166
Energy: 0.5796521983647969
Energy: 0.5319866998032539
Energy: 0.5796521983642187
Energy: 0.6052119986265777
Energy: 0.5595594868562864
Energy: 0.7038178228340807
Energy: 0.5595594868562864
Energy: 1.0395902756101618
Energy: 0.5593223408380416
Energy: 0.5233343647531268
Energy: 0.5593223408374896
Energy: 0.6439002596760797
Energy: 0.5593557535550224
Energy: 0.5421850517027261
Energy: 0.5593557535556005
Energy: 1.059893105055255
Energy: 0.579310257485557
Energy: 0.5210980427449347
Energy: 0.5793102574861352
Energy: 0.9202802643650139
Energy: 0.5707231347540562
Energy: 0.45390801680022264
Energy: 0.570723134753478
Energy: 1.263925375115905
Energy: 0.5596942050578849
Energy: 0.5233914887507763
Energy: 0.5596942050590413
Energy: 0.9538035807032041
Energy: 0.5704818772705602
Energy: 0.4571526551815962
Energy: 0.5704818772116129
Energy: 1.1486959570404225
Energy: 0.5796127283596728
Energy: 0.5214464870800372
Energy: 0.5796127283585165
Energy: 0.9200291791495421
Energy: 0.570359288961706
Energy: 0.45040141541202944
Energy: 0.5703592889611278
Energy: 1.1256560863752259
Energy: 0.5594822499709499
Energy: 0.5234894874486892
Energy: 0.5594822499692154
Energy: 0.6439746682085756
Energy: 0.559842124780924
Energy: 0.6679738943116234
Energy: 0.5598421247803458
Energy: 0.8818651195842822
Energy: 0.5896658375650774
Energy: 0.5225852168167158
Energy: 0.5896658375604784
Energy: 0.6052470546687733
Energy: 0.5592995984549196
Energy: 0.7465785302230529
Energy: 0.5592995984531851
Energy: 0.8513899631407124
Energy: 0.5597815608289766
Energy: 0.5348946073956614
Energy: 0.5597815608289766
Energy: 0.5331539050978107
Energy: 0.788975888377516
Energy: 0.7695079717399944
Energy: 0.788975888377516
Energy: 0.5680376822457894
Energy: 0.599133869331695
Energy: 0.6065410639319359
Energy: 0.5991338692802378
Energy: 0.5252120730920234
Energy: 0.5593152273283805
Energy: 1.0378738515679173
Energy: 0.5593152273289587
Energy: 0.5414162964201157
Energy: 0.5593088529040339
Energy: 0.6455363833389651
Energy: 0.5593088529051902
Energy: 0.5221995613422399
Energy: 0.7890964837773671
Energy: 1.060268558060245
Energy: 0.7890964837779453

minimum gb energy = 0.45040141541202944 eV
minimum distance =  2.28853066034645 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01859440311807678
Energy: 0.01903766100024395
Energy: 0.7431880736782261
Energy: 0.019037660999799484
Energy: 0.7432724818321006
Energy: -0.5190581021774772
Energy: -0.5189296709926928
Energy: -0.5190581021783661
Energy: 0.018594403118471867
Energy: 0.019037661000688415
Energy: 0.7431930668374755
Energy: 0.01903766100024395
Energy: 0.7432724818321006
Energy: -0.5190581021779216
Energy: -0.5189296709926928
Energy: -0.5190581021788105
Energy: 0.018594403118471867
Energy: 0.01903766100024395
Energy: 0.7432278832462176
Energy: 0.019037660999799484
Energy: 0.7432724818321006
Energy: -0.5190581021788105
Energy: -0.5189296709922483
Energy: -0.5190581021783661

minimum gb energy = -0.5190581021788105 eV
minimum distance =  2.46833605987935 Angstroms
sigma value = 1