Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_000
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=3.604343503713608
cohesive_energy=4.246784727106969
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: 0.016508623291172298
Energy: 0.01693756858972371
Energy: 0.016590244671471157
Energy: 0.01693756858972371
Energy: 0.016937568589127837
Energy: 1.2762925193643382
Energy: 0.01693756858972371
Energy: 1.2762925193643382
Energy: 0.016590244672067038
Energy: 0.016937568590354644
Energy: 0.016508623291172298
Energy: 0.01693756858972371
Energy: 0.01693756858972371
Energy: 1.2762925193643382
Energy: 0.01693756858972371
Energy: 1.2762925193643382

minimum gb energy = 0.016508623291172298 eV
minimum distance =  2.48168802907066 Angstroms
sigma value = 1


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

Energy: 0.9554686560747876
Energy: 1.109133633302819
Energy: 0.8178431294796052
Energy: 1.1091336333020538
Energy: 0.9216711961418562
Energy: 1.1023474304211516
Energy: 0.9192868447747343
Energy: 1.102347430422682
Energy: 0.9032706664349994
Energy: 1.098517180767739
Energy: 0.9140811928256378
Energy: 1.098517180767739
Energy: 0.9058281824980577
Energy: 1.1157976118433548
Energy: 0.9190114736743877
Energy: 1.1157976118433548
Energy: 0.9092731953369783
Energy: 1.1119262100658878
Energy: 0.9213321796267984
Energy: 1.1119262100658878
Energy: 0.864812823718587
Energy: 1.2921641518941134
Energy: 0.9045712241093278
Energy: 1.2921641518941134
Energy: 0.9245756087081209
Energy: 1.0978362209720836
Energy: 0.8663576710409271
Energy: 1.0978362209728487
Energy: 0.7916488792773909
Energy: 1.1097613437856688
Energy: 0.8937651498862398
Energy: 1.1097613437849034
Energy: 0.9150489593915115
Energy: 1.2605643946054805
Energy: 0.9186706465427021
Energy: 1.2605643946054805
Energy: 0.9057621831029001
Energy: 1.0986572256014924
Energy: 0.7773000661567236
Energy: 1.0986572256014924
Energy: 0.9149271457606649
Energy: 1.0349794547820803
Energy: 0.9150196877049217
Energy: 1.0349794547820803
Energy: 0.8687089714018049
Energy: 1.110551643381434
Energy: 0.920337690268449
Energy: 1.1105516433806688
Energy: 0.9192384781184841
Energy: 1.098311911169449
Energy: 0.9250394398215579
Energy: 1.0983119111686837
Energy: 0.9147242415353481
Energy: 1.1002835790374124
Energy: 0.9146109449871062
Energy: 1.1002835790366472
Energy: 0.9181318989905741
Energy: 1.1094139893567878
Energy: 0.9126116516058533
Energy: 1.1094139893567878
Energy: 0.9061591582054058
Energy: 1.1107041782517284
Energy: 0.9118245712992009
Energy: 1.1107041782517284
Energy: 0.9135420550276888
Energy: 1.098619814293794
Energy: 0.8531477950821431
Energy: 1.0986198142922634
Energy: 0.9211133382108188
Energy: 1.023589665014204
Energy: 0.9223034160494169
Energy: 1.023589665014204
Energy: 0.7767098581975412
Energy: 1.1121708952612541
Energy: 0.9226302427703914
Energy: 1.1121708952604887
Energy: 0.9226614678651879
Energy: 0.9171427578510479
Energy: 0.9170606436631918
Energy: 0.9171427578525783
Energy: 0.9042333355714458
Energy: 1.098308689178128
Energy: 0.8440483758752675
Energy: 1.098308689178128
Energy: 0.9155928011611779
Energy: 1.2237887579301374
Energy: 0.906558806165658
Energy: 1.2237887579301374
Energy: 0.9202418514776213
Energy: 1.111964760341081
Energy: 0.8508667673581024
Energy: 1.111964760341081
Energy: 0.9068701592665358
Energy: 1.101778818855409
Energy: 0.8651985441230511
Energy: 1.1017788188561743
Energy: 0.8660603835975418
Energy: 1.2925145061732903
Energy: 0.9251646644542871
Energy: 1.2925145061732903
Energy: 0.9056423894580415
Energy: 1.1097329058154384
Energy: 0.849357594147991
Energy: 1.1097329058146732
Energy: 0.9173482816979157
Energy: 1.2994442818894631
Energy: 0.9140812986608398
Energy: 1.2994442818909937
Energy: 0.8382995406063752
Energy: 1.0971604797811623
Energy: 0.911025686171273
Energy: 1.0971604797803969
Energy: 0.919720866775511
Energy: 1.1038822533365964
Energy: 0.9146915679177688
Energy: 1.1038822533365964
Energy: 0.9217723028678423
Energy: 1.1100790485226966
Energy: 0.8679186113497891
Energy: 1.1100790485226966
Energy: 0.9268550973750483
Energy: 1.1015841453524622
Energy: 0.9179145893806973
Energy: 1.1015841453516968
Energy: 0.9131799767776927
Energy: 1.0990513072166015
Energy: 0.9142316288918825
Energy: 1.0990513072158363
Energy: 0.9084911217345447
Energy: 1.114719734199085
Energy: 0.9216265023174965
Energy: 1.1147197341998503

minimum gb energy = 0.7767098581975412 eV
minimum distance =  2.23918079293581 Angstroms
sigma value = 1


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

Energy: 1.0384548547024284
Energy: 1.1938172401585672
Energy: 0.8779702279987411
Energy: 1.193817240157695
Energy: 0.9782827209861169
Energy: 1.1140049357295259
Energy: 0.9786201826368182
Energy: 1.1140049357303985
Energy: 0.8993700114208867
Energy: 1.1982624284212262
Energy: 0.9963960388767433
Energy: 1.1982624284212262
Energy: 0.9804681811251147
Energy: 1.0993544677070235
Energy: 0.9297656871645814
Energy: 1.0993544677078961
Energy: 0.9812782851037708
Energy: 1.1721306402367586
Energy: 0.982664691758893
Energy: 1.1721306402367586
Energy: 0.9583545905712957
Energy: 1.1723849342118295
Energy: 0.9494963101199171
Energy: 1.1723849342135741
Energy: 0.9832714741257373
Energy: 0.9883552439762926
Energy: 0.9901118681358668
Energy: 0.9883552439754203
Energy: 0.8317733159687616
Energy: 1.193055502251993
Energy: 0.9088463809264751
Energy: 1.1930555022528655
Energy: 0.9765802747808948
Energy: 0.9921711423013748
Energy: 0.9781531190202445
Energy: 0.9921711423031196
Energy: 0.9858192160654107
Energy: 1.196921620291714
Energy: 0.8792670407792491
Energy: 1.1969216202908415
Energy: 0.9834470050153629
Energy: 1.093021650049943
Energy: 0.9877272095412699
Energy: 1.0930216500473255
Energy: 0.9071931692433909
Energy: 1.1825093434320206
Energy: 0.9980542953047853
Energy: 1.1825093434320206
Energy: 0.9866247902330009
Energy: 1.1735080635664328
Energy: 0.9784119419473027
Energy: 1.1735080635638155
Energy: 0.9863054844203315
Energy: 1.1734623638937645
Energy: 0.9828992371412071
Energy: 1.1734623638963817
Energy: 0.9066379635653865
Energy: 1.1825312179671115
Energy: 0.9976376408494986
Energy: 1.1825312179671115
Energy: 0.983324130185106
Energy: 1.0939310672274694
Energy: 0.9903065919019921
Energy: 1.093931067225764
Energy: 0.9863082178761914
Energy: 1.1972018924772398
Energy: 0.8490326469929781
Energy: 1.1972018924772398
Energy: 0.9766705667182167
Energy: 0.9897879128935614
Energy: 0.9781268478742878
Energy: 0.9897879128935614
Energy: 0.8318082871827489
Energy: 1.1927035069350638
Energy: 0.9387450345878566
Energy: 1.1927035069341914
Energy: 0.9834934621979013
Energy: 0.9884208051807493
Energy: 0.926507386947919
Energy: 0.9884208051790044
Energy: 0.9575721180688459
Energy: 1.1724045660791538
Energy: 0.9804106861418342
Energy: 1.1724045660782814
Energy: 0.9811443609482031
Energy: 1.17214639458402
Energy: 0.9741630511726049
Energy: 1.17214639458402
Energy: 0.9805186247657264
Energy: 1.0998713740013388
Energy: 0.9917649860267809
Energy: 1.099871374002211
Energy: 0.8992811670846749
Energy: 1.1982787838891908
Energy: 0.9956893283472804
Energy: 1.1982787838883184
Energy: 0.9783162302109099
Energy: 1.1137042637135166
Energy: 0.9784838498326445
Energy: 1.1137042637152617
Energy: 1.0384548547041732
Energy: 1.1938172401585672
Energy: 0.9024259310382253
Energy: 1.193817240157695
Energy: 0.9782827209878617
Energy: 1.1140049357303985
Energy: 0.978620182638563
Energy: 1.1140049357295259
Energy: 0.8993700114208867
Energy: 1.1982624284203538
Energy: 0.9737935419745655
Energy: 1.1982624284212262
Energy: 0.9804681811242423
Energy: 1.0993544677078961
Energy: 0.9195158823305309
Energy: 1.0993544677078961

minimum gb energy = 0.8317733159687616 eV
minimum distance =  2.24142640578859 Angstroms
sigma value = 25


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

Energy: 1.112442662551075
Energy: 1.2714088191297153
Energy: 0.9533231833701875
Energy: 1.2714088191297153
Energy: 1.0756864160318462
Energy: 1.1854301440145432
Energy: 1.0704282649239862
Energy: 1.1854301440155575
Energy: 0.9764157176964522
Energy: 1.2994140578032067
Energy: 1.0756425552770217
Energy: 1.2994140578032067
Energy: 1.0574907844172992
Energy: 1.2092455457358333
Energy: 1.0012699328568162
Energy: 1.2092455457368476
Energy: 1.0016616259680111
Energy: 1.2693979149022023
Energy: 1.021344183712275
Energy: 1.2693979149022023
Energy: 1.0530583845701125
Energy: 1.2994944513267759
Energy: 1.0726956463844808
Energy: 1.2994944513267759
Energy: 1.0739104156359818
Energy: 1.0794869569110017
Energy: 1.0322061303106091
Energy: 1.0794869569110017
Energy: 0.9858482419056322
Energy: 1.2754513236539304
Energy: 0.9312760651450865
Energy: 1.2754513236539304
Energy: 1.0327756925038643
Energy: 1.1858769264436713
Energy: 1.0743949701485063
Energy: 1.1858769264436713
Energy: 1.080349975416679
Energy: 1.2990697888030371
Energy: 0.9901688632520647
Energy: 1.2990697888030371
Energy: 1.060985789249034
Energy: 1.2712853814308587
Energy: 1.0671004957665513
Energy: 1.2712853814308587
Energy: 1.0050845716960646
Energy: 1.2724669962960762
Energy: 1.0713690209826885
Energy: 1.2724669962960762
Energy: 1.0752526224351944
Energy: 1.2055556769099611
Energy: 0.9889105929148254
Energy: 1.2055556769099611
Energy: 1.0316305696042072
Energy: 1.0735965993235808
Energy: 1.0756421774152807
Energy: 1.0735965993225662
Energy: 0.9194561947549483
Energy: 1.2712367859705507
Energy: 0.9288345332581753
Energy: 1.2712367859695364
Energy: 1.0719407146386357
Energy: 1.079114305921992
Energy: 1.006796313058178
Energy: 1.079114305921992
Energy: 0.8988103962280298
Energy: 1.2993252683308703
Energy: 0.8993405940225206
Energy: 1.2993252683308703
Energy: 1.0015338814131354
Energy: 1.19807195802831
Energy: 1.0518619335132133
Energy: 1.19807195802831
Energy: 1.056169003263051
Energy: 1.2097940789952637
Energy: 1.0016465211577843
Energy: 1.2097940789952637
Energy: 1.0718314516625886
Energy: 1.2994547414381385
Energy: 1.0768320003571907
Energy: 1.2994547414381385
Energy: 1.0865383866674323
Energy: 1.1841431766281403
Energy: 1.0713350447068721
Energy: 1.1841431766271262
Energy: 1.1100865242081637
Energy: 1.2727565344643421
Energy: 1.0253179170014681
Energy: 1.2727565344643421
Energy: 1.0696526713431562
Energy: 1.1944466142435077
Energy: 1.0717647954912977
Energy: 1.1944466142435077
Energy: 0.9727126100124508
Energy: 1.3043556653030977
Energy: 1.0801477383129965
Energy: 1.3043556653030977
Energy: 1.0689278284920511
Energy: 1.084859993948166
Energy: 1.0058962189372518
Energy: 1.0848599939512085

minimum gb energy = 0.8988103962280298 eV
minimum distance =  2.24875989868393 Angstroms
sigma value = 9


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

Energy: 1.2559299332784788
Energy: 1.210122752919707
Energy: 1.0437385956785583
Energy: 1.210122752919707
Energy: 1.136474601062141
Energy: 1.3006589822701053
Energy: 1.1793314693396988
Energy: 1.3006589822701053
Energy: 1.0623867769214523
Energy: 1.1998753179230723
Energy: 1.0951461519500763
Energy: 1.1998753179230723
Energy: 1.2043720543111942
Energy: 1.3039975738151803
Energy: 1.023159636227537
Energy: 1.3039975738151803
Energy: 1.1655518221112395
Energy: 1.2979002720358794
Energy: 1.1069443235817187
Energy: 1.2979002720358794
Energy: 0.9751092589442611
Energy: 1.1949435146128238
Energy: 1.1038015669988104
Energy: 1.1949435146128238
Energy: 1.2097272379973973
Energy: 1.0238978416721223
Energy: 1.0296500053439277
Energy: 1.0238978416721223
Energy: 1.0435986286034904
Energy: 1.1948224796588143
Energy: 1.021503122332185
Energy: 1.1948224796576041
Energy: 1.2004027318571904
Energy: 1.3007771509824597
Energy: 1.1745927343120701
Energy: 1.30077715098125
Energy: 1.2055825648825425
Energy: 1.199874095971182
Energy: 1.1028708502139484
Energy: 1.199874095971182
Energy: 1.0908860296494924
Energy: 1.3396282250349805
Energy: 1.0951542674829107
Energy: 1.3396282250374003
Energy: 1.2032790063309748
Energy: 1.2140087088614984
Energy: 1.0233151089679557
Energy: 1.2140087088614984
Energy: 0.9768628863617019
Energy: 1.2110974259689833
Energy: 0.9752256044777362
Energy: 1.2110974259677736
Energy: 1.0913814814286011
Energy: 1.2010072978662598
Energy: 1.1830125204333761
Energy: 1.2010072978662598
Energy: 0.9768444272636818
Energy: 1.2109475723838694
Energy: 1.0439622770018158
Energy: 1.2109475723826597
Energy: 1.202953907109856
Energy: 1.2138052221622073
Energy: 1.0233539680015205
Energy: 1.2138052221622073
Energy: 1.0907781023629384
Energy: 1.3397899827585018
Energy: 1.0952858628482431
Energy: 1.3397899827585018
Energy: 1.2057270816421106
Energy: 1.198712168605161
Energy: 1.1029114479237427
Energy: 1.198712168605161
Energy: 1.2008029542044578
Energy: 1.3008143298976282
Energy: 1.1070966833652915
Energy: 1.3008143298976282
Energy: 1.0435051463129392
Energy: 1.195504739697293
Energy: 1.0219392100897307
Energy: 1.1955047396960832
Energy: 1.2097458623348627
Energy: 1.0237487941998977
Energy: 1.0296791697228787
Energy: 1.0237487941998977

minimum gb energy = 0.9751092589442611 eV
minimum distance =  2.3080325924339 Angstroms
sigma value = 25


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

Energy: 1.1136621375034015
Energy: 1.4436228943714553
Energy: 1.160781548504885
Energy: 1.4436228943729517
Energy: 1.089820483351996
Energy: 1.4550983547894898
Energy: 1.066450697337385
Energy: 1.4550983547894898
Energy: 1.0692979796182813
Energy: 1.4720545764010693
Energy: 1.0661148734268853
Energy: 1.4720545764010693
Energy: 1.1087554378741562
Energy: 1.4443351142321472
Energy: 1.14609476333511
Energy: 1.4443351142321472
Energy: 1.1496946007479223
Energy: 1.0873607205618365
Energy: 1.1640390092532737
Energy: 1.0873607205603402
Energy: 1.0666867432596507
Energy: 1.4684001911015376
Energy: 1.068028840389419
Energy: 1.4684001911015376
Energy: 1.1171221782245295
Energy: 1.2768489802143916
Energy: 1.0672887894099268
Energy: 1.2768489802158878
Energy: 1.1473715046236594
Energy: 1.4408235008306964
Energy: 1.1077309427495012
Energy: 1.4408235008292
Energy: 1.066219528994088
Energy: 1.284971891421128
Energy: 1.0908438845760247
Energy: 1.284971891421128
Energy: 1.20433595269002
Energy: 1.3087328167195518
Energy: 1.0688269461966342
Energy: 1.3087328167210481
Energy: 1.0999369958805716
Energy: 1.443196186633951
Energy: 1.2175936132379221
Energy: 1.443196186633951
Energy: 1.0662913476414282
Energy: 1.1215296009338016
Energy: 1.2104628955093992
Energy: 1.1215296009338016
Energy: 1.1624299617424874
Energy: 1.4720950070428287
Energy: 1.0686675541687896
Energy: 1.4720950070428287
Energy: 1.0670119169137482
Energy: 1.4427993787592697
Energy: 1.1093619506602523
Energy: 1.4427993787592697
Energy: 1.0661249937008974
Energy: 1.4428314583682056
Energy: 1.1490267305572108
Energy: 1.4428314583682056
Energy: 1.0880414252253119
Energy: 1.3082279182747611
Energy: 1.0717439492383674
Energy: 1.3082279182732648
Energy: 1.0669200770799558
Energy: 1.1720298294171165
Energy: 1.206754156532404
Energy: 1.1720298294171165

minimum gb energy = 1.0661148734268853 eV
minimum distance =  2.2958818234039 Angstroms
sigma value = 17


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

Energy: 1.2885619699702844
Energy: 1.2846359841538975
Energy: 1.2639860762199535
Energy: 1.2846359841547448
Energy: 1.2522174406939754
Energy: 1.2622237724065697
Energy: 1.111997027070504
Energy: 1.2622237724057224
Energy: 1.185599056733501
Energy: 1.266423158298935
Energy: 1.1115020614299802
Energy: 1.266423158298935
Energy: 1.1161464246960033
Energy: 1.2798875248819401
Energy: 1.2486426683205192
Energy: 1.2798875248819401
Energy: 1.2311307500635311
Energy: 1.3691592584656027
Energy: 1.1756410556897157
Energy: 1.3691592584647554
Energy: 1.1366847254980268
Energy: 1.2794588833168021
Energy: 1.1620050501021657
Energy: 1.2794588833168021
Energy: 1.1189189920488083
Energy: 1.2610520149955975
Energy: 1.1161261245416574
Energy: 1.2610520149947497
Energy: 1.1645503216973392
Energy: 1.286266110259032
Energy: 1.12941905051074
Energy: 1.2862661102598794
Energy: 1.131120856786376
Energy: 1.332336607028707
Energy: 1.2128541620295583
Energy: 1.332336607028707
Energy: 1.267964882793431
Energy: 1.2327919077129679
Energy: 1.112155214225284
Energy: 1.2327919077129679
Energy: 1.1196437780340576
Energy: 1.2848555940495734
Energy: 1.189866897586176
Energy: 1.284855594048726
Energy: 1.1328024062773339
Energy: 1.2604131419255262
Energy: 1.1335605800051625
Energy: 1.2604131419255262
Energy: 1.2427718547616575
Energy: 1.2804998012755584
Energy: 1.2864485996490023
Energy: 1.2804998012772533
Energy: 1.1116378768988406
Energy: 1.4541483233101313
Energy: 1.2020495244686742
Energy: 1.454148323313521
Energy: 1.209170684408956
Energy: 1.3336983280530637
Energy: 1.1330458984396028
Energy: 1.3336983280530637
Energy: 1.180708350239594
Energy: 1.2857660268031004
Energy: 1.1640258459702222
Energy: 1.2857660268031004
Energy: 1.1163469621108335
Energy: 1.3279040524545
Energy: 1.311032699656128
Energy: 1.3279040524545
Energy: 1.1859554638199368
Energy: 1.2712523976717247
Energy: 1.1365912541449765
Energy: 1.2712523976717247
Energy: 1.2017187763889952
Energy: 1.3396338457053294
Energy: 1.1726954064194142
Energy: 1.3396338457053294
Energy: 1.2652719422365788
Energy: 1.2808359082640384
Energy: 1.1165105662271737
Energy: 1.2808359082640384
Energy: 1.1384743289099708
Energy: 1.2713715472135767
Energy: 1.1849452725513037
Energy: 1.2713715472135767
Energy: 1.1146018377658302
Energy: 1.2738513261776587
Energy: 1.275133614883894
Energy: 1.273851326178506
Energy: 1.2293849810961561
Energy: 1.2853052015803663
Energy: 1.114511817991557
Energy: 1.2853052015803663
Energy: 1.2191551530375602
Energy: 1.3378834288904526
Energy: 1.186048037502923
Energy: 1.3378834288904526
Energy: 1.2857515942272753
Energy: 1.2663392942288598
Energy: 1.1846787349172023
Energy: 1.2663392942288598
Energy: 1.2662193650194637
Energy: 1.2803735415657536
Energy: 1.1156964077792568
Energy: 1.2803735415657536
Energy: 1.2035160715108557
Energy: 1.2749346256801029
Energy: 1.309780214079188
Energy: 1.2749346256809502
Energy: 1.1619046282739758
Energy: 1.2937717467567835
Energy: 1.1863784920580422
Energy: 1.2937717467576308
Energy: 1.3190741621409547
Energy: 1.44083828692649
Energy: 1.1187513403915192
Energy: 1.4408382869256426
Energy: 1.1294995474308078
Energy: 1.340350091952116
Energy: 1.186547823154662
Energy: 1.3403500919529634

minimum gb energy = 1.1115020614299802 eV
minimum distance =  2.23105716879094 Angstroms
sigma value = 53


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

Energy: 1.1152965639615366
Energy: 1.112664379506222
Energy: 1.2160855324375128
Energy: 1.112664379508173
Energy: 1.2545345342571528
Energy: 1.2300541438995796
Energy: 1.1334177613773746
Energy: 1.2300541438995796
Energy: 1.1159592222597254
Energy: 1.1123481899290275
Energy: 1.2509692379475355
Energy: 1.1123481899290275
Energy: 1.1159519863211
Energy: 1.1122209104785334
Energy: 1.1729940286226814
Energy: 1.1122209104785334
Energy: 1.2548907517768917
Energy: 1.2299694358878406
Energy: 1.1137620627106548
Energy: 1.2299694358878406
Energy: 1.1152965639615366
Energy: 1.112664379506222
Energy: 1.2406209099983512
Energy: 1.112664379508173
Energy: 1.2545345342571528
Energy: 1.2300541438995796
Energy: 1.1733003483993465
Energy: 1.2300541438995796
Energy: 1.1159592222597254
Energy: 1.1123481899290275
Energy: 1.2509238293326905
Energy: 1.1123481899290275
Energy: 1.1159519863211
Energy: 1.1122209104785334
Energy: 1.205573083728057
Energy: 1.1122209104785334
Energy: 1.2548907517768917
Energy: 1.2299694358878406
Energy: 1.1536932788339322
Energy: 1.2299694358858897
Energy: 1.1152965639615366
Energy: 1.112664379506222
Energy: 1.2409068757369288
Energy: 1.112664379506222
Energy: 1.2545345342591037
Energy: 1.2300541438995796
Energy: 1.2055339883823233
Energy: 1.2300541438995796
Energy: 1.1159592222597254
Energy: 1.1123481899290275
Energy: 1.2509246979840005
Energy: 1.1123481899290275

minimum gb energy = 1.1122209104785334 eV
minimum distance =  2.28190636700979 Angstroms
sigma value = 9


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

Energy: 1.217808318582862
Energy: 1.2546091047661612
Energy: 1.4444442757068365
Energy: 1.254609104765439
Energy: 1.3321992999806445
Energy: 1.2380658324570895
Energy: 1.188205263151068
Energy: 1.2380658324578113
Energy: 1.143653630640486
Energy: 1.1984937277791474
Energy: 1.1968183352078583
Energy: 1.1984937277784253
Energy: 1.2005604125206817
Energy: 1.2875599914133715
Energy: 1.1524573457701917
Energy: 1.2875599914133715
Energy: 1.2432802731405763
Energy: 1.263336527279092
Energy: 1.1598757702562796
Energy: 1.2633365272783699
Energy: 1.2012262191994858
Energy: 1.1982045022364771
Energy: 1.1832655073775025
Energy: 1.1982045022371992
Energy: 1.3614731081370464
Energy: 1.2568805199106587
Energy: 1.1885773011430596
Energy: 1.2568805199099369
Energy: 1.15935332637561
Energy: 1.2723352846700728
Energy: 1.2592852021464351
Energy: 1.2723352846700728
Energy: 1.1464280775442879
Energy: 1.3095081442467174
Energy: 1.2051659927106604
Energy: 1.3095081442474392
Energy: 1.144689231681939
Energy: 1.2348723864461344
Energy: 1.1890982976713766
Energy: 1.2348723864461344
Energy: 1.1614323206881565
Energy: 1.2193321075597245
Energy: 1.2962619635502508
Energy: 1.2193321075698331
Energy: 1.2835025333296877
Energy: 1.3292095882584951
Energy: 1.1490330702639553
Energy: 1.3292095882556068
Energy: 1.1458035081090316
Energy: 1.230352319380503
Energy: 1.2840304349327154
Energy: 1.230352319380503
Energy: 1.2061348696114098
Energy: 1.5439482840596925
Energy: 1.2225113588127148
Energy: 1.5439482840589707
Energy: 1.2052040038074812
Energy: 1.2558277407573972
Energy: 1.2250223709877313
Energy: 1.2558277407573972
Energy: 1.1494187129771942
Energy: 1.3097734973595567
Energy: 1.1895394577471021
Energy: 1.3097734973610007
Energy: 1.2007787594730652
Energy: 1.2560953866946918
Energy: 1.2028950519420176
Energy: 1.2560953866701425
Energy: 1.1651460448531479
Energy: 1.2575030150476116
Energy: 1.3020200990551825
Energy: 1.2575030150476116
Energy: 1.3041691219509859
Energy: 1.228889758064663
Energy: 1.2030969148264705
Energy: 1.228889758064663
Energy: 1.190281663335487
Energy: 1.2508384624763274
Energy: 1.2224361990980057
Energy: 1.2508384624748832
Energy: 1.2059457710746784
Energy: 1.2874700575301556
Energy: 1.2026978975001603
Energy: 1.2874700575301556
Energy: 1.220932397947812
Energy: 1.2750812789012322
Energy: 1.1446760683959014
Energy: 1.2750812789012322
Energy: 1.2056685909311002
Energy: 1.2745771393264356
Energy: 1.1466400542693325
Energy: 1.2745771393271577
Energy: 1.3529608178973855
Energy: 1.1992028243826907
Energy: 1.1590386233433558
Energy: 1.1992028243798025
Energy: 1.1884436543641943
Energy: 1.3281912471539357
Energy: 1.40231794222813
Energy: 1.3281912471532138
Energy: 1.1632174867470881
Energy: 1.1984470228659132
Energy: 1.144279560094906
Energy: 1.198447022865191
Energy: 1.195237917627469
Energy: 1.2692507104084902
Energy: 1.200034753271942
Energy: 1.2692507104077684
Energy: 1.210101448771971
Energy: 1.2875321027346975
Energy: 1.200929218268331
Energy: 1.2875321027332534
Energy: 1.1929594827875925
Energy: 1.198155813646686
Energy: 1.143226822567758
Energy: 1.198155813647408
Energy: 1.1880776241960473
Energy: 1.330222595631455
Energy: 1.404086853490858
Energy: 1.330222595631455
Energy: 1.349653937868937
Energy: 1.2593087636808373
Energy: 1.158501257000915
Energy: 1.2593087636801152
Energy: 1.2284806840813771
Energy: 1.2584433602941523
Energy: 1.144627712965598
Energy: 1.2584433602941523
Energy: 1.1886543730005212
Energy: 1.2756122627118125
Energy: 1.143681206482563
Energy: 1.2756122627103685
Energy: 1.195653370620314
Energy: 1.2877376936000713
Energy: 1.2005621129214914
Energy: 1.2877376936000713
Energy: 1.159821903133468
Energy: 1.3032616127900212
Energy: 1.3608943147011925
Energy: 1.3032616127907433

minimum gb energy = 1.143226822567758 eV
minimum distance =  2.2942463120271 Angstroms
sigma value = 73


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

Energy: 1.3070072688741732
Energy: 1.304182840900119
Energy: 1.2991384668283015
Energy: 1.304182840900119
Energy: 1.295587840025919
Energy: 1.3181996931996878
Energy: 1.2005242221130525
Energy: 1.3181996931996878
Energy: 1.1602976968871843
Energy: 1.1954523815527291
Energy: 1.1789326618940597
Energy: 1.1954523815538745
Energy: 1.1255021321931904
Energy: 1.32069263034352
Energy: 1.1814685852597056
Energy: 1.3206926303446656
Energy: 1.1695474862718145
Energy: 1.2938130958578609
Energy: 1.1787260595545392
Energy: 1.2938130958578609
Energy: 1.1823161708779777
Energy: 1.4741467910034312
Energy: 1.2058981033203335
Energy: 1.4741467910034312
Energy: 1.3812978661919282
Energy: 1.3438926577895574
Energy: 1.1550155876349952
Energy: 1.3438926577884116
Energy: 1.1496807552352333
Energy: 1.2134575772715441
Energy: 1.3251232711362158
Energy: 1.2134575772715441
Energy: 1.2748894602879008
Energy: 1.2146892219194707
Energy: 1.2119161023291924
Energy: 1.2146892219194707
Energy: 1.1575050852686837
Energy: 1.2520225728249117
Energy: 1.1565189039887276
Energy: 1.2520225728249117
Energy: 1.145630171827069
Energy: 1.2144543462074973
Energy: 1.2454260677277345
Energy: 1.2144543462074973
Energy: 1.2587233109215585
Energy: 1.323884472296387
Energy: 1.1246185532071717
Energy: 1.3238844722952416
Energy: 1.181540760117887
Energy: 1.2890500676045566
Energy: 1.3539191870804381
Energy: 1.2890500676045566
Energy: 1.264273105511638
Energy: 1.2982737245040712
Energy: 1.1828655429811095
Energy: 1.2982737245052167
Energy: 1.1684082784520309
Energy: 1.3313408716918098
Energy: 1.3613940843552994
Energy: 1.3313408716906643
Energy: 1.2451339322105976
Energy: 1.2138262673641091
Energy: 1.149963726074893
Energy: 1.2138262673641091
Energy: 1.2565959858028197
Energy: 1.2532151440390376
Energy: 1.157110414358013
Energy: 1.2532151440390376
Energy: 1.2552347456660973
Energy: 1.4195208381835804
Energy: 1.1565513831156478
Energy: 1.419520838184726
Energy: 1.1524878550568007
Energy: 1.2137114219920433
Energy: 1.149433607792212
Energy: 1.2137114219920433
Energy: 1.200896159227319
Energy: 1.271224115607698
Energy: 1.4251316165467802
Energy: 1.271224115607698
Energy: 1.2851402144646003
Energy: 1.4390797105536268
Energy: 1.1862527105256788
Energy: 1.4390797105536268
Energy: 1.2021739195439816
Energy: 1.3010540958001975
Energy: 1.2741199859529946
Energy: 1.3010540958001975

minimum gb energy = 1.1246185532071717 eV
minimum distance =  2.26495668545652 Angstroms
sigma value = 7


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

Energy: 1.2431316228549694
Energy: 1.2385073465616394
Energy: 1.3065274051013653
Energy: 1.2385073465640697
Energy: 1.3343610194403674
Energy: 1.2621522329775217
Energy: 1.1973994764634557
Energy: 1.2621522329783315
Energy: 1.167139305590109
Energy: 1.454271326291453
Energy: 1.1608277686029294
Energy: 1.454271326288213
Energy: 1.13580487938248
Energy: 1.3156077250454952
Energy: 1.1951699887823204
Energy: 1.3156077250471152
Energy: 1.1784225646753879
Energy: 1.2741340745514047
Energy: 1.1788970601106743
Energy: 1.2741340745530247
Energy: 1.1704830480378419
Energy: 1.2383123567634564
Energy: 1.25571689894877
Energy: 1.2383123567626462
Energy: 1.366853175967019
Energy: 1.286532233106784
Energy: 1.1778325761081245
Energy: 1.286532233099494
Energy: 1.1700708019610488
Energy: 1.2390594245340547
Energy: 1.386574133513287
Energy: 1.2390594245324345
Energy: 1.2784071853407284
Energy: 1.2960352933514507
Energy: 1.1916855863609053
Energy: 1.2960352933506407
Energy: 1.175052220887918
Energy: 1.2826777330465897
Energy: 1.2627809870495044
Energy: 1.2826777330473995
Energy: 1.141199712229843
Energy: 1.4513996336321233
Energy: 1.156143991825041
Energy: 1.4513996336321233
Energy: 1.217327956213735
Energy: 1.2744609613665085
Energy: 1.1527670765912434
Energy: 1.2744609613648883
Energy: 1.2357199876439258
Energy: 1.239602940068522
Energy: 1.156560563602803
Energy: 1.239602940067712
Energy: 1.1611591654093123
Energy: 1.223203775458763
Energy: 1.1520373401535549
Energy: 1.223203775460383
Energy: 1.1763548117879008
Energy: 1.3614920821914351
Energy: 1.3673944139485186
Energy: 1.361492082192245
Energy: 1.3087376408226832
Energy: 1.2236438926006206
Energy: 1.1883806462778832
Energy: 1.2236438925998105
Energy: 1.1769420362018754
Energy: 1.2814997437015492
Energy: 1.3104974941965344
Energy: 1.281499743703169
Energy: 1.178863537718131
Energy: 1.2326385575334013
Energy: 1.1525002778969617
Energy: 1.232638557532591
Energy: 1.1738467899147207
Energy: 1.2384231985215755
Energy: 1.1561945053014793
Energy: 1.2384231985215755
Energy: 1.1745985433436745
Energy: 1.2735934425624689
Energy: 1.153162581042632
Energy: 1.2735934425632787
Energy: 1.1403345520434096
Energy: 1.3141490273656926
Energy: 1.191950657117406
Energy: 1.3141490276126453
Energy: 1.1752379997010356
Energy: 1.3325039601149546
Energy: 1.3305409232643182
Energy: 1.3325039601165747
Energy: 1.3193233284229542
Energy: 1.269195800215267
Energy: 1.174787670934495
Energy: 1.2691958002144572
Energy: 1.2460457409832153
Energy: 1.2391444226269754
Energy: 1.2460431513036263
Energy: 1.2391444226277857
Energy: 1.198606342128874
Energy: 1.2740283178674516
Energy: 1.173602980654293
Energy: 1.2740283178674516
Energy: 1.135326413969593
Energy: 1.4511650364331607
Energy: 1.1470648992044148
Energy: 1.4511650364307305
Energy: 1.1672901712450807
Energy: 1.282915141846751
Energy: 1.2182362888509506
Energy: 1.282915141845941
Energy: 1.1361166867167223
Energy: 1.2808150662612567
Energy: 1.2007921586094097
Energy: 1.2808150662620668
Energy: 1.166570820262564
Energy: 1.2388232437904487
Energy: 1.2731415206206529
Energy: 1.2388232437904487
Energy: 1.3853843895185738
Energy: 1.2118907867643136
Energy: 1.193150582464702
Energy: 1.2118907867651236
Energy: 1.166586725753594
Energy: 1.2386538913098057
Energy: 1.3339034888299743
Energy: 1.2386538913098057

minimum gb energy = 1.135326413969593 eV
minimum distance =  2.25032107230461 Angstroms
sigma value = 29


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

Energy: 1.1731840491538732
Energy: 1.1646872576996197
Energy: 1.1589135992920827
Energy: 1.1646872576998704
Energy: 1.1153370379096963
Energy: 1.1868025281121224
Energy: 1.188447738496343
Energy: 1.186802528113784
Energy: 1.1356189712369233
Energy: 1.2730098968492518
Energy: 1.115921301403761
Energy: 1.2730098968495338
Energy: 1.185129765070833
Energy: 1.2412857433180138
Energy: 1.1882100445934858
Energy: 1.241285743316101
Energy: 1.184155856040592
Energy: 1.243407137680976
Energy: 1.2554989924542048
Energy: 1.2434071376815088
Energy: 1.06802909301411
Energy: 1.2723870176560612
Energy: 1.0680527691827701
Energy: 1.2723870176560612
Energy: 1.1364078103748314
Energy: 1.2433543707726926
Energy: 1.1839845949516348
Energy: 1.243354370772943
Energy: 1.1885595490456875
Energy: 1.2415317044549703
Energy: 1.1852126613199887
Energy: 1.2415317044582623
Energy: 1.1120415088021522
Energy: 1.2726565648318107
Energy: 1.132418564687499
Energy: 1.272656564832375

minimum gb energy = 1.06802909301411 eV
minimum distance =  2.26777546346582 Angstroms
sigma value = 5


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

Energy: 1.138677696649509
Energy: 1.1434125414271703
Energy: 1.2606169457214174
Energy: 1.1434125414264051
Energy: 1.3734800745399212
Energy: 1.11473059331353
Energy: 1.0833257089669417
Energy: 1.11473059331353
Energy: 1.0747384150651427
Energy: 1.1260409589110063
Energy: 1.2572382815592114
Energy: 1.1260409589110063
Energy: 1.0683156833686525
Energy: 1.1877680534563915
Energy: 1.109751390941372
Energy: 1.1877680534571566
Energy: 1.101311193386756
Energy: 1.1949088594683688
Energy: 1.2527283290094045
Energy: 1.194908859469134
Energy: 1.1093676196708737
Energy: 1.146266336938199
Energy: 1.0878185611025075
Energy: 1.146266336938199
Energy: 1.077128928679644
Energy: 1.194282452039349
Energy: 1.0770428425520664
Energy: 1.194282452040114
Energy: 1.0774642398810141
Energy: 1.1462811020759107
Energy: 1.0804347274701736
Energy: 1.1462811020759107
Energy: 1.1017594652596998
Energy: 1.1934844862365606
Energy: 1.0764836620139986
Energy: 1.1934844862342648
Energy: 1.1080411655131128
Energy: 1.1953452868100463
Energy: 1.0608849922529708
Energy: 1.1953452868100463
Energy: 1.0989453770393756
Energy: 1.187867230861218
Energy: 1.0783557239252248
Energy: 1.1878672308604528
Energy: 1.0773636475701764
Energy: 1.1189504628183458
Energy: 1.159125279447889
Energy: 1.1189504628175804
Energy: 1.11063986754537
Energy: 1.144025262974663
Energy: 1.1409989684267023
Energy: 1.144025262974663
Energy: 1.1065160412495234
Energy: 1.1432255387382024
Energy: 1.230097106995937
Energy: 1.1432255387389678
Energy: 1.282271205480302
Energy: 1.101683285402878
Energy: 1.0781289253278659
Energy: 1.101683285404408
Energy: 1.1072310147834294
Energy: 1.1257827492465515
Energy: 1.0834014718444762
Energy: 1.1257827492473165
Energy: 1.2541879240833715
Energy: 1.1212996313090553
Energy: 1.0908360569811162
Energy: 1.1212996313098207
Energy: 1.1015696970812894
Energy: 1.144021553136659
Energy: 1.1545427200456768
Energy: 1.144021553136659
Energy: 1.0975624866293252
Energy: 1.1990289229198487
Energy: 1.0845584673887878
Energy: 1.1990289229198487
Energy: 1.0752761283376904
Energy: 1.2185869568262875
Energy: 1.1162124819754162
Energy: 1.2185869568262875
Energy: 1.0649851469411453
Energy: 1.1823507183992772
Energy: 1.1122987873060637
Energy: 1.1823507183992772
Energy: 1.1051168424403868
Energy: 1.1939280086097641
Energy: 1.1001674493312823
Energy: 1.1939280086097641
Energy: 1.0861983070427998
Energy: 1.1446972653308427
Energy: 1.0655275711087835
Energy: 1.144697265331608
Energy: 1.1585476529736238
Energy: 1.1880237118020767
Energy: 1.0753171081931723
Energy: 1.1880237118020767
Energy: 1.1552293908189442
Energy: 1.138906086304128
Energy: 1.0834651825173072
Energy: 1.138906086304128
Energy: 1.1255529764779406
Energy: 1.1431973627580427
Energy: 1.1044182360583124
Energy: 1.1431973627580427
Energy: 1.1007679158029904
Energy: 1.0870999551056637
Energy: 1.119928067141351
Energy: 1.087099955103368
Energy: 1.0979391488032655
Energy: 1.186951241621179
Energy: 1.107403130944919
Energy: 1.186951241621179
Energy: 1.0837389719865402
Energy: 1.1130594590818195
Energy: 1.4096120066688513
Energy: 1.113059459079524
Energy: 1.2258602263801712
Energy: 1.143624085619816
Energy: 1.1015921183354902
Energy: 1.143624085619816
Energy: 1.098789770991236
Energy: 1.1140682308744077
Energy: 1.2268519792287729
Energy: 1.1140682308744077
Energy: 1.2547647357826097
Energy: 1.138711062733434
Energy: 1.0775241325274243
Energy: 1.138711062733434
Energy: 1.108251642415571
Energy: 1.1888455912587463
Energy: 1.0740802001890144
Energy: 1.1888455912602767

minimum gb energy = 1.0608849922529708 eV
minimum distance =  2.26353548644246 Angstroms
sigma value = 1


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

Energy: 1.0928981873202175
Energy: 1.088473433997747
Energy: 1.0265493013553435
Energy: 1.088473433997747
Energy: 1.3021800849180154
Energy: 1.047096676002182
Energy: 1.0532085754426415
Energy: 1.0470966760000662
Energy: 1.0117862969841125
Energy: 1.0882886219567867
Energy: 1.448227708217835
Energy: 1.0882886219567867
Energy: 1.057059063025222
Energy: 1.1520886378176696
Energy: 1.0524271122403077
Energy: 1.1520886378166117
Energy: 1.0132025331396293
Energy: 1.0874454461782899
Energy: 1.2606086132209156
Energy: 1.087445446179348
Energy: 1.0148219948401245
Energy: 1.1458354286488406
Energy: 1.0525924527865023
Energy: 1.1458354286509564
Energy: 1.013314125860947
Energy: 1.1927597730729929
Energy: 1.0635710204024371
Energy: 1.1927597730729929
Energy: 1.0142346653385685
Energy: 1.0928276513744
Energy: 1.0620517504770515
Energy: 1.0928276513754578
Energy: 1.0828371933294225
Energy: 1.0914984291626169
Energy: 1.065419028567606
Energy: 1.0914984291626169
Energy: 1.0827405746014547
Energy: 1.091439942929634
Energy: 1.0625592961564176
Energy: 1.091439942929634
Energy: 1.014207051079119
Energy: 1.092882295974942
Energy: 1.063425442027275
Energy: 1.0928822959759998
Energy: 1.013581665441993
Energy: 1.1928678734963845
Energy: 1.0645131772629621
Energy: 1.1928678734963845
Energy: 1.014615423813993
Energy: 1.14602027460984
Energy: 1.0525308481890938
Energy: 1.1460202746077242
Energy: 1.0135764342042126
Energy: 1.0872759095498927
Energy: 1.108007048011681
Energy: 1.087275909550951
Energy: 1.0559107091503575
Energy: 1.1450570853189557
Energy: 1.052397074219262
Energy: 1.1450570853200135
Energy: 1.0117541636646896
Energy: 1.0889090605282017
Energy: 1.0691168576837602
Energy: 1.0889090605282017
Energy: 1.302356532862376
Energy: 1.0469632341662243
Energy: 1.0532617433518816
Energy: 1.0469632341641082
Energy: 1.0928981873202175
Energy: 1.088473433997747
Energy: 1.2283844054171658
Energy: 1.088473433997747
Energy: 1.3021800849180154
Energy: 1.047096676002182
Energy: 1.0532085754426415
Energy: 1.0470966760000662
Energy: 1.0117862969841125
Energy: 1.0882886219567867
Energy: 1.4482277082167772
Energy: 1.0882886219567867
Energy: 1.0570590630262797
Energy: 1.1520886378187276
Energy: 1.0524271122403077
Energy: 1.1520886378166117
Energy: 1.0132025331396293
Energy: 1.087445446179348
Energy: 1.260608613219858
Energy: 1.087445446179348
Energy: 1.0148219948401245
Energy: 1.1458354286488406
Energy: 1.0525924527865023
Energy: 1.1458354286509564
Energy: 1.013314125860947
Energy: 1.1927597730729929
Energy: 1.0635710204024371
Energy: 1.1927597730729929

minimum gb energy = 1.0117541636646896 eV
minimum distance =  2.28171288030466 Angstroms
sigma value = 17


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

Energy: 1.0693860215088113
Energy: 1.0649740378734527
Energy: 1.3018041865197238
Energy: 1.0649740378734527
Energy: 1.2000447302995736
Energy: 1.0524063862749593
Energy: 1.02692313807349
Energy: 1.052406386278229
Energy: 1.0258370276986917
Energy: 1.0478450007469648
Energy: 1.2906984318373045
Energy: 1.0478450007476188
Energy: 1.03942270425443
Energy: 1.0182556010970834
Energy: 1.0222486747878259
Energy: 1.0182556010977373
Energy: 1.0088075893165742
Energy: 1.1298351052737483
Energy: 1.289063195329246
Energy: 1.1298351052730944
Energy: 0.9951292066128928
Energy: 1.264939230423038
Energy: 1.0429855575118636
Energy: 1.264939230423038
Energy: 1.0258908389714374
Energy: 1.1105512643297015
Energy: 1.0782325303219362
Energy: 1.1105512643303554
Energy: 1.006921419718984
Energy: 1.2682156138859901
Energy: 1.006796812330853
Energy: 1.2682156138859901
Energy: 1.0617776547986981
Energy: 1.2733249670950535
Energy: 1.034543124085141
Energy: 1.2733249670970155
Energy: 1.068558282564927
Energy: 1.100783231958614
Energy: 1.0283273171537024
Energy: 1.1007832319592679
Energy: 1.0262913172123296
Energy: 1.2466631823064944
Energy: 1.0078296782118386
Energy: 1.2466631823071483
Energy: 1.0289621629498342
Energy: 1.10611078786105
Energy: 1.0112029585170734
Energy: 1.106110787861704
Energy: 0.99417454989183
Energy: 1.2637230815917302
Energy: 1.024870216934406
Energy: 1.2637230815923841
Energy: 1.0111436093434876
Energy: 1.1286304085432788
Energy: 1.0672795350414621
Energy: 1.1286304085426249
Energy: 1.0105246686013898
Energy: 1.255468360358812
Energy: 1.075401169428632
Energy: 1.2554683603594659
Energy: 1.025621657207036
Energy: 1.0483286749379868
Energy: 1.2864724675318677
Energy: 1.0483286749379868
Energy: 1.0322495803591543
Energy: 1.2587678780099332
Energy: 1.0245134635673698
Energy: 1.2587678780086256
Energy: 1.0219446902488847
Energy: 1.0658346062155233
Energy: 1.0175671524620997
Energy: 1.0658346062148694
Energy: 1.1890750552467833
Energy: 1.1067365728562732
Energy: 1.0291468160077648
Energy: 1.106736572857581
Energy: 1.0425992316806434
Energy: 1.0476947859056094
Energy: 1.1793184199482931
Energy: 1.0476947859062633
Energy: 1.4268804398946084
Energy: 1.0424872151988325
Energy: 1.0247830369540167
Energy: 1.0424872151981786
Energy: 1.0247461991271571
Energy: 1.066161527286823
Energy: 1.301668492599447
Energy: 1.066161527286169
Energy: 1.1793961287901242
Energy: 1.0372025646923462
Energy: 1.0436740424281774
Energy: 1.0372025646916923
Energy: 1.0278854246641276
Energy: 1.1104412891068343
Energy: 1.2011461415224696
Energy: 1.1104412891074882
Energy: 1.0258483172774138
Energy: 1.0667541081055496
Energy: 1.0214464646516523
Energy: 1.0667541081055496
Energy: 1.0249852388751528
Energy: 1.1313927206842969
Energy: 1.044958728623293
Energy: 1.1313927206842969
Energy: 1.161371743703342
Energy: 1.0920385779506017
Energy: 1.0277832408085508
Energy: 1.0920385779506017
Energy: 1.0783360717302697
Energy: 1.2551087144592725
Energy: 1.0087978244901792
Energy: 1.2551087144592725
Energy: 1.0807129127475568
Energy: 1.12931979111403
Energy: 1.0089992833338848
Energy: 1.12931979111403
Energy: 1.0256320563751258
Energy: 1.264748079202855
Energy: 1.0452972362533588
Energy: 1.264748079203509
Energy: 1.0102257883941816
Energy: 1.1299144067059104
Energy: 1.0301789920608304
Energy: 1.1299144067065643
Energy: 1.008654961522402
Energy: 1.245497284061916
Energy: 1.0240305096309035
Energy: 1.245497284061916
Energy: 1.0268381927014725
Energy: 1.101517861756303
Energy: 1.1885187858060495
Energy: 1.101517861756303
Energy: 1.047152590167684
Energy: 1.2720747794338638
Energy: 1.0468480921964571
Energy: 1.2720747794338638
Energy: 1.007717128960041
Energy: 1.0664773778279562
Energy: 1.0374521382588504
Energy: 1.0664773778279562
Energy: 1.0794843425323537
Energy: 1.1114980486722443
Energy: 1.024644245549782
Energy: 1.1114980486709365
Energy: 1.0437463700056182
Energy: 1.266246238147886
Energy: 0.9947750389813815
Energy: 1.2662462381472321
Energy: 1.2912473817450099
Energy: 1.130916968995671
Energy: 1.025335841227015
Energy: 1.1309169689950171

minimum gb energy = 0.99417454989183 eV
minimum distance =  2.27442663271105 Angstroms
sigma value = 89


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

Energy: 0.9382005816234051
Energy: 0.9354409867096679
Energy: 1.3282453158994596
Energy: 0.9354409867096679
Energy: 0.9397242560294454
Energy: 0.9750485094475209
Energy: 0.941445371890856
Energy: 0.9750485094475209
Energy: 0.9412355753969788
Energy: 1.1056273100815874
Energy: 1.3274926314884063
Energy: 1.1056273100832983
Energy: 0.9125616810170202
Energy: 0.9749645863892982
Energy: 0.9414541496441048
Energy: 0.9749645863875872
Energy: 0.9411199747233397
Energy: 1.0204011816184864
Energy: 1.5398740294605977
Energy: 1.0204011816184864
Energy: 0.9363243689697806
Energy: 0.9368314548956106
Energy: 0.9416008031360389
Energy: 0.9368314548956106
Energy: 0.9407301629983228
Energy: 1.1050553374503034
Energy: 0.9432684467920689
Energy: 1.1050553374503034
Energy: 0.8948471700632523
Energy: 1.019697041684141
Energy: 0.9413813467192799
Energy: 1.0196970416858522
Energy: 0.9406407552334675
Energy: 1.0259405716963446
Energy: 0.9135466570334088
Energy: 1.0259405716963446
Energy: 0.9732812012639137
Energy: 0.9328080610340332
Energy: 0.9356674950806967
Energy: 0.9328080610340332
Energy: 0.9311131253213087
Energy: 0.9760377940344516
Energy: 0.9403997122622052
Energy: 0.9760377940344516
Energy: 0.9307419955067444
Energy: 1.1050131371177025
Energy: 0.9416884844366081
Energy: 1.1050131371194136
Energy: 0.9365594751869796
Energy: 0.9384161679376968
Energy: 0.8908783222279972
Energy: 0.9384161679376968
Energy: 0.9385424358182377
Energy: 1.0235719822438052
Energy: 0.9382041219674228
Energy: 1.0235719822438052
Energy: 0.912446319968656
Energy: 0.9384561760253904
Energy: 0.9370051014855485
Energy: 0.9384561760253904

minimum gb energy = 0.8908783222279972 eV
minimum distance =  2.29443070468 Angstroms
sigma value = 13


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

Energy: 0.9079689726294369
Energy: 0.8672265715047305
Energy: 0.833991519107312
Energy: 0.8672265715047305
Energy: 1.3320274882942167
Energy: 0.8941694376296653
Energy: 0.8512384288101925
Energy: 0.8941694376296653
Energy: 0.8707412059050305
Energy: 0.8677833949284263
Energy: 1.3289287447579359
Energy: 0.8677833949284263
Energy: 0.873421697483027
Energy: 0.894287823728281
Energy: 0.8480583840652127
Energy: 0.8942878237275638
Energy: 0.8779110956342598
Energy: 0.9324308243329216
Energy: 0.8764828056149682
Energy: 0.9324308243343558
Energy: 0.8549634219949688
Energy: 0.8947674736627582
Energy: 0.8804391594291261
Energy: 0.8947674736591725
Energy: 0.8775433037404181
Energy: 0.9405840046190145
Energy: 1.1801544999495637
Energy: 0.9405840046218831
Energy: 0.8350770675625236
Energy: 0.8944262504557189
Energy: 0.8807878675514962
Energy: 0.8944262504557189
Energy: 0.8780972981012302
Energy: 0.9387440693834065
Energy: 1.0293294359517675
Energy: 0.9387440693834065
Energy: 1.0381222965605383
Energy: 0.9580553009117709
Energy: 0.8482438267572276
Energy: 0.9580553009089023
Energy: 0.877665041989846
Energy: 0.9585991725690763
Energy: 0.851616110456244
Energy: 0.9585991725683592
Energy: 1.175555978217313
Energy: 0.9580186808154183
Energy: 0.851843953886819
Energy: 0.958018680813984
Energy: 0.9147725249549059
Energy: 0.8858968262115744
Energy: 0.8519739669719789
Energy: 0.8858968262101401
Energy: 1.2034445573758006
Energy: 0.9582126209703362
Energy: 0.8469696380264591
Energy: 0.9582126209703362
Energy: 0.8782123864553726
Energy: 0.8676862734270991
Energy: 0.8386568355694448
Energy: 0.8676862734235135
Energy: 0.8715155697364941
Energy: 0.9580442478669623
Energy: 0.854186832158441
Energy: 0.9580442478619421
Energy: 0.8667063732215128
Energy: 0.8664858946802065
Energy: 0.8521842676122346
Energy: 0.8664858946823579
Energy: 0.8626434062676563
Energy: 0.936516565097008
Energy: 0.8874982534214133
Energy: 0.9365165650984424
Energy: 0.86684176115887
Energy: 0.9369547313640116
Energy: 0.8870971921906429
Energy: 0.9369547313618601
Energy: 0.8668707604907143
Energy: 0.9367859757485132
Energy: 0.8869787905204334
Energy: 0.936785975747796
Energy: 0.862755335923398
Energy: 0.9368630957525304
Energy: 0.8876254483909473
Energy: 0.9368630957525304
Energy: 0.866582662983751
Energy: 0.866633533557789
Energy: 0.8523573752216628
Energy: 0.8666335335592233
Energy: 0.8722097542814894
Energy: 0.9587315468030697
Energy: 0.8535305620390217
Energy: 0.9587315468066554
Energy: 0.8782367646842758
Energy: 0.8676177240536413
Energy: 0.8449728523425105
Energy: 0.8676177240493383
Energy: 1.2034879507738534
Energy: 0.9582875411045346
Energy: 0.847001743613121
Energy: 0.9582875411002318
Energy: 0.9154187152850013
Energy: 0.8862246700725956
Energy: 0.8540229589204302
Energy: 0.8862246700740298
Energy: 1.1758504164573131
Energy: 0.9578457173451491
Energy: 0.8521762219369148
Energy: 0.9578457173437148
Energy: 0.8777201441454722
Energy: 0.9590907396012385
Energy: 0.8532705966537706
Energy: 0.9590907396026727
Energy: 1.0381773714911222
Energy: 0.9582345248206459
Energy: 0.8481804795844935
Energy: 0.9582345248184946
Energy: 0.8779569734672765
Energy: 0.93895120591611
Energy: 1.0311652577972013
Energy: 0.9389512059168271
Energy: 0.834579694179609
Energy: 0.8949631082555697
Energy: 0.8807185021244779
Energy: 0.8949631082605897
Energy: 0.8775684210710555
Energy: 0.9403409286195417
Energy: 1.1936615747641146
Energy: 0.9403409286209761
Energy: 0.8535152437170588
Energy: 0.8948665675050583
Energy: 0.8806558866436273
Energy: 0.8948665675007554
Energy: 0.8777265567043248
Energy: 0.9323989617191129
Energy: 1.1857794640179087
Energy: 0.9323989617212645
Energy: 0.8725889152191767
Energy: 0.8942589406138157
Energy: 0.8480026178716356
Energy: 0.8942589406116642

minimum gb energy = 0.833991519107312 eV
minimum distance =  2.30674415267827 Angstroms
sigma value = 37


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

Energy: 0.992855851459282
Energy: 0.8503050924700272
Energy: 0.7357102261016594
Energy: 0.8503050924700272
Energy: 1.451950338121851
Energy: 0.8239926442370491
Energy: 0.7642312378511106
Energy: 0.8239926442370491
Energy: 0.8131023370766634
Energy: 0.9276268530142289
Energy: 0.7797175660820667
Energy: 0.9276268530142289
Energy: 0.9083932635742962
Energy: 0.8251229190858025
Energy: 0.7799065118156691
Energy: 0.8251229190858025
Energy: 0.7785027319125446
Energy: 0.8237595769797068
Energy: 0.7940074788503002
Energy: 0.823759576978473
Energy: 0.7461883174433536
Energy: 0.8243448855897677
Energy: 0.9225945135362393
Energy: 0.8243448855897677
Energy: 0.7939223547989701
Energy: 0.8728690183402555
Energy: 1.204069200911693
Energy: 0.8728690183488643
Energy: 0.7595170479924727
Energy: 0.8260941670078089
Energy: 0.8295627261603404
Energy: 0.8260941670078089
Energy: 0.7640595199560742
Energy: 0.8238906211749415
Energy: 1.0544853790319664
Energy: 0.8238906211761753
Energy: 1.108109095658647
Energy: 0.9180018980277378
Energy: 0.922870250307713
Energy: 0.9180018980277378
Energy: 0.7953434973476128
Energy: 0.8938778708744527
Energy: 0.9190803791013354
Energy: 0.8938778708732188
Energy: 1.1300174488787729
Energy: 0.8243858208283745
Energy: 0.7797191862424457
Energy: 0.8243858208283745
Energy: 0.9231622916807593
Energy: 0.8240804650974762
Energy: 0.8795104397146262
Energy: 0.8240804650987101
Energy: 1.2148208679405903
Energy: 0.8668148903445299
Energy: 0.7581389389521165
Energy: 0.8668148903457638
Energy: 0.9920737860189015
Energy: 0.8678187895760335
Energy: 0.7593139811098845
Energy: 0.8678187895772672
Energy: 0.9907694942632213
Energy: 0.8243919405374039
Energy: 0.7659637415881142
Energy: 0.8243919405374039
Energy: 0.9233108038590097
Energy: 0.9202952629600148
Energy: 0.7295686270508432
Energy: 0.9202952629612488
Energy: 0.9197958185020335
Energy: 0.8945289755948707
Energy: 0.7750122473068537
Energy: 0.8945289755948707
Energy: 0.7760908101265526
Energy: 0.8263536811237744
Energy: 0.7721530951446066
Energy: 0.8263536811225406
Energy: 0.7719675612804173
Energy: 0.8244043870822718
Energy: 0.924613425653072
Energy: 0.8244043870835055

minimum gb energy = 0.7295686270508432 eV
minimum distance =  2.3157548356698 Angstroms
sigma value = 25


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

Energy: 0.7405073952511297
Energy: 0.6860358198418438
Energy: 0.9278340675766952
Energy: 0.6860358198418438
Energy: 1.1217907451543963
Energy: 0.7108664587261987
Energy: 0.6908846404695721
Energy: 0.7108664587261987
Energy: 0.6863567665968557
Energy: 0.6851643939168819
Energy: 0.630066356540043
Energy: 0.6851643939159183
Energy: 0.8858185184071092
Energy: 0.7109431719440343
Energy: 0.6908801544136995
Energy: 0.7109431719449978
Energy: 0.6898484957280085
Energy: 0.7108973769732536
Energy: 0.6449105477344117
Energy: 0.7108973769742171
Energy: 0.6448624463205452
Energy: 0.710546093039564
Energy: 0.6909479798017897
Energy: 0.710546093039564
Energy: 0.6929529847993895
Energy: 0.6848855073480735
Energy: 0.8863266256484922
Energy: 0.68488550734711
Energy: 0.6315560997822094
Energy: 0.738364251848173
Energy: 0.6874287375458591
Energy: 0.738364251848173
Energy: 0.6900046993472367
Energy: 0.7115036040655085
Energy: 1.0964660604397176
Energy: 0.7115036040655085
Energy: 0.6451448320922831
Energy: 0.6849954904805544
Energy: 0.741758848794112
Energy: 0.6849954904805544
Energy: 0.6928393940187886
Energy: 0.6847424996861964
Energy: 1.1302355558505908
Energy: 0.6847424996852329
Energy: 0.9264158008849415
Energy: 0.7383330936858653
Energy: 0.6875104958096194
Energy: 0.7383330936974268
Energy: 0.6900838484693366
Energy: 0.7114410290246274
Energy: 0.8856371018079745
Energy: 0.7114410290246274
Energy: 0.9538565031936983
Energy: 0.9958383938202555
Energy: 0.6907479377102462
Energy: 0.9958383938202555
Energy: 0.6931804971707561
Energy: 0.6848943262205239
Energy: 0.6452037334900128
Energy: 0.6848943262205239
Energy: 0.9376104429855399
Energy: 0.7381903599185579
Energy: 0.6914631045198553
Energy: 0.7381903599310827
Energy: 0.6901145939556845
Energy: 0.7380830146971024
Energy: 0.6316255324320191
Energy: 0.7380830146971024
Energy: 0.9308162282072051
Energy: 0.7111256707219384
Energy: 0.6912870056526088
Energy: 0.7111256707219384
Energy: 0.7445865158098526
Energy: 0.684805999071063
Energy: 0.6560718780449927
Energy: 0.6848059990720264
Energy: 1.1298977735890436
Energy: 0.8158083886936719
Energy: 0.6915790976491031
Energy: 0.8158083886946352
Energy: 0.6903428839601335
Energy: 0.7385155733650935
Energy: 0.6232830837677497
Energy: 0.7385155733641301
Energy: 0.6829911904568984
Energy: 0.7111012646866832
Energy: 0.691334119069521
Energy: 0.7111012646857199
Energy: 0.6905233550538135
Energy: 0.9948138582356699
Energy: 0.9525925912367454
Energy: 0.9948138582366334
Energy: 0.6525403827119793
Energy: 0.8158972027383659
Energy: 0.6917251590932527
Energy: 0.8158972027374025
Energy: 0.694182966763984
Energy: 0.7383050361262049
Energy: 0.9372544444020692
Energy: 0.7383050361262049
Energy: 0.6451150382516424
Energy: 0.7385033121976889
Energy: 0.6905127002794892
Energy: 0.7385033121986524

minimum gb energy = 0.6232830837677497 eV
minimum distance =  2.3238302257429 Angstroms
sigma value = 41


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

Energy: 1.004222970534611
Energy: 0.6291721164288977
Energy: 0.5695236979224576
Energy: 0.6291721164288977
Energy: 1.3031789245595302
Energy: 0.6109615734837078
Energy: 0.5970094768263442
Energy: 0.6109615734837078
Energy: 0.6299074552364607
Energy: 0.5946536473774304
Energy: 1.1509715828672713
Energy: 0.5946536473774304
Energy: 0.9810997124757023
Energy: 0.6110775408646052
Energy: 0.5970880679497566
Energy: 0.6110775408646052
Energy: 0.5944808500297744
Energy: 0.6485779732633429
Energy: 0.5806077052964735
Energy: 0.6485779732641328
Energy: 0.783185072498641
Energy: 0.6118626079864322
Energy: 0.5970095039195397
Energy: 0.6118626079856424
Energy: 0.5964696321188315
Energy: 0.6113544526561346
Energy: 0.8572671034987274
Energy: 0.6113544526569246
Energy: 0.5816827896818858
Energy: 0.6290863689501667
Energy: 0.5950745958100282
Energy: 0.6290863689493768
Energy: 0.5983647627876765
Energy: 0.62889775989969
Energy: 0.9545367023566489
Energy: 0.6288977599004797
Energy: 0.5602072906452189
Energy: 0.5944808289977
Energy: 0.6304909656603984
Energy: 0.59448082899849
Energy: 0.5965086352819697
Energy: 0.6116287481474191
Energy: 1.1461498268750545
Energy: 0.6116287481458395
Energy: 0.5814093485864607
Energy: 0.6294405696746804
Energy: 1.002829911929348
Energy: 0.6294405696738905
Energy: 0.5982358726813825
Energy: 0.6316938376593549
Energy: 1.1453177536527592
Energy: 0.6316938376577752
Energy: 0.8233843523963617
Energy: 0.6938619320699103
Energy: 0.6304474345194782
Energy: 0.69386193207149
Energy: 0.5966310682657078
Energy: 0.6113836480221092
Energy: 0.9772897739719875
Energy: 0.6113836480221092
Energy: 0.8317465127215478
Energy: 0.6280935470885699
Energy: 0.5949655959450746
Energy: 0.628093547100418
Energy: 0.598525027950752
Energy: 0.6303360741451007
Energy: 0.7812665492846048
Energy: 0.6303360741411513
Energy: 0.8242685220037208
Energy: 0.6944352353905113
Energy: 0.5969687089424942
Energy: 0.694435235392091
Energy: 0.5963991236996585
Energy: 0.6289981986434182
Energy: 0.5792272086289174
Energy: 0.6289981986442081
Energy: 0.8497634957957259
Energy: 0.6282903184231035
Energy: 0.6004733507445764
Energy: 0.6282903184231035
Energy: 0.6322624978544051
Energy: 0.6314802208421125
Energy: 0.5700344369869946
Energy: 0.6314802208421125
Energy: 1.1461826905559755
Energy: 0.647667599685835
Energy: 0.597156596000719
Energy: 0.6476675997363868
Energy: 1.000285372030922
Energy: 0.6288346137146603
Energy: 0.5793169784701961
Energy: 0.6288346137130804
Energy: 1.0083605890428256
Energy: 0.6303677640331118
Energy: 0.6006588533628306
Energy: 0.6303677640323221
Energy: 0.6318493072694702
Energy: 0.6926872239450134
Energy: 0.5671864433957007
Energy: 0.6926872239450134
Energy: 0.9775070319785959
Energy: 0.6474781462719907
Energy: 0.5972834242940607
Energy: 0.6474781462704109
Energy: 0.596579150813153
Energy: 0.6282240555026848
Energy: 0.8302153889701854
Energy: 0.6282240555026848
Energy: 0.6098139439496078
Energy: 0.6302485721400019
Energy: 0.6007616326679722
Energy: 0.6302485721392119
Energy: 0.598420013276092
Energy: 0.6931014340503067
Energy: 0.8221501805805592
Energy: 0.6931014340503067
Energy: 0.5793447512555193
Energy: 0.6704753927505827
Energy: 0.599046029023334
Energy: 0.6704753927490028
Energy: 0.6037003779204765
Energy: 0.6280695108226639
Energy: 0.8471045694988063
Energy: 0.6280695108226639
Energy: 0.5808463508541414
Energy: 0.6298259858257924
Energy: 0.6347489147335336
Energy: 0.6298259858265823

minimum gb energy = 0.5602072906452189 eV
minimum distance =  2.31161416706449 Angstroms
sigma value = 15


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

Energy: 0.9802920562815436
Energy: 0.5692945874338374
Energy: 0.9638208704772091
Energy: 0.5692945871248197
Energy: 1.3099798321207086
Energy: 0.5562513878823518
Energy: 0.5561176838491076
Energy: 0.5562513878796753
Energy: 0.6748860323608826
Energy: 0.5639057765561114
Energy: 0.5280668660831073
Energy: 0.5639057765561114
Energy: 1.0834231690364606
Energy: 0.565579707557345
Energy: 0.5561817497995463
Energy: 0.5655797075499845
Energy: 0.6472550066819275
Energy: 0.8245912596244526
Energy: 0.5346174237775544
Energy: 0.8245912596237834
Energy: 0.9404221279428326
Energy: 0.5549005719857739
Energy: 0.5565118204398044
Energy: 0.5549005719837664
Energy: 0.5647257872756323
Energy: 0.5681982663634183
Energy: 0.623767589956651
Energy: 0.5681982663614109
Energy: 0.7886320667050949
Energy: 0.5647542157988328
Energy: 0.5640014839890736
Energy: 0.5647542158008403
Energy: 0.5567961270504216
Energy: 0.5693901140893644
Energy: 0.9952383140775268
Energy: 0.5693901140880261
Energy: 0.6174735692780233
Energy: 0.5557662356413615
Energy: 0.6461204072986877
Energy: 0.5557662343846693
Energy: 0.5556607302096629
Energy: 0.5545082902285097
Energy: 1.0847847601851726
Energy: 0.5545082902265024
Energy: 0.5243217733638108
Energy: 0.5657853364417614
Energy: 0.6733112688366645
Energy: 0.5657853364430996
Energy: 0.5568191338068454
Energy: 0.5748356653919063
Energy: 1.2319412789373725
Energy: 0.5748356653905681
Energy: 0.5291447297121389
Energy: 0.5556113188244511
Energy: 0.9101944407584263
Energy: 0.5556113188257893
Energy: 0.5559524436354476
Energy: 0.5561789165248838
Energy: 1.1543084873785685
Energy: 0.5561789165228764
Energy: 0.7472420223956169
Energy: 0.5634158242800164
Energy: 0.67293683501174
Energy: 0.5634158242800164
Energy: 0.5570052314898168
Energy: 0.577016431917169
Energy: 1.0813830692181108
Energy: 0.5770164319211838
Energy: 0.7518497599253436
Energy: 0.82314288417895
Energy: 0.6461485010909725
Energy: 0.82314288417895
Energy: 0.5569069348544254
Energy: 0.554592065385003
Energy: 0.942772474768983
Energy: 0.5545920653903561
Energy: 0.8278248637495504
Energy: 0.5547438687144827
Energy: 0.5641206287214148
Energy: 0.5547438687151519
Energy: 0.5653787638194417
Energy: 0.5819219716655233
Energy: 0.7857998919336858
Energy: 0.581921971669538
Energy: 0.8476275311288543
Energy: 0.5683644045185227
Energy: 0.5584182698668585
Energy: 0.5683644045145079
Energy: 0.6466511909312483
Energy: 0.5558779407059975
Energy: 0.6148873117986149
Energy: 0.5558779407093432
Energy: 1.1246854430322326
Energy: 0.5541492782011134
Energy: 0.556157405471899
Energy: 0.5541492782037899
Energy: 0.6737510688253813
Energy: 0.5824473625359659
Energy: 0.6069821440999895
Energy: 0.582447362606894
Energy: 1.102993997963792
Energy: 0.5682701776900162
Energy: 0.5586456771873788
Energy: 0.5682701776926928
Energy: 0.9753931198040403
Energy: 0.5640351265995546
Energy: 0.5276451886448785
Energy: 0.5640351266129371
Energy: 1.2262301448492179
Energy: 0.554302871108425
Energy: 0.555988628672625
Energy: 0.554302871108425
Energy: 0.6739525767851161
Energy: 0.8462866095190491
Energy: 0.5159990643671722
Energy: 0.8462866095170416
Energy: 0.9613197259961516
Energy: 0.5765573233376557
Energy: 0.5586008145898049
Energy: 0.5765573233369867
Energy: 0.646421468045681
Energy: 0.8217514357273478
Energy: 0.7501081245732271
Energy: 0.8217514357286861
Energy: 0.939492164461671
Energy: 0.5547483164878774
Energy: 0.5577221931465499
Energy: 0.5547483164611121
Energy: 0.5656895356400071
Energy: 0.6377860293811278
Energy: 0.8260117369312066
Energy: 0.6377860293838044
Energy: 0.6361417281775508
Energy: 0.5818443864524367
Energy: 0.5673108695905137
Energy: 0.5818443864510985
Energy: 0.546203360844529
Energy: 0.609486034398463
Energy: 0.8440569365038703
Energy: 0.6094860343991324
Energy: 0.6123924219489575
Energy: 0.554876334847797
Energy: 0.6475083619882668
Energy: 0.5548763348491352
Energy: 0.5570590774307986
Energy: 0.6374770884885544
Energy: 1.122663086800549
Energy: 0.6374770884905617

minimum gb energy = 0.5159990643671722 eV
minimum distance =  2.31517832138152 Angstroms
sigma value = 85


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

Energy: 0.8570278765907424
Energy: 0.5481326740660132
Energy: 0.6600469216208151
Energy: 0.5481326740654329
Energy: 1.277219419584289
Energy: 0.5472853526181657
Energy: 0.5060854607150158
Energy: 0.5472853526187461
Energy: 0.8245375430407996
Energy: 0.5461568232804149
Energy: 0.6488736762457274
Energy: 0.5461568232804149
Energy: 1.0138179689235285
Energy: 0.5471468572677733
Energy: 0.5060233119344912
Energy: 0.5471468572677733
Energy: 0.5458495312408899
Energy: 0.5043905122626736
Energy: 0.43330795540927336
Energy: 0.5043905122626736
Energy: 0.8833774084167284
Energy: 0.5460472735005555
Energy: 0.5058081918954054
Energy: 0.5460472734999752
Energy: 0.5047403806999228
Energy: 0.5647175689073386
Energy: 0.46607831188187
Energy: 0.564717568907919
Energy: 0.7519208682856017
Energy: 0.5462630987957904
Energy: 0.5057695155412085
Energy: 0.546263098796951
Energy: 0.5057877313889612
Energy: 0.5253072692905161
Energy: 0.6295536479802054
Energy: 0.5253072692905161
Energy: 0.5933431232540132
Energy: 0.5649391740828091
Energy: 0.5048989990984462
Energy: 0.5649391740828091
Energy: 0.5065365209565617
Energy: 0.5460107900001975
Energy: 0.9566928476348141
Energy: 0.5460107905257746
Energy: 0.4324475881311683
Energy: 0.5469449918869006
Energy: 0.5462361027518986
Energy: 0.5469449918869006
Energy: 0.5055829682745566
Energy: 0.5253671044770691
Energy: 1.0169105420128957
Energy: 0.5253671044765151
Energy: 0.42583451855163323
Energy: 0.5464027105445053
Energy: 0.8221546030300083
Energy: 0.5464027105450855
Energy: 0.5065853937550664
Energy: 0.5473398643658701
Energy: 1.1533126639509759
Energy: 0.5473398643664504
Energy: 0.43221853804154825
Energy: 0.5455199498677356
Energy: 0.8555568041940176
Energy: 0.5455199498671552
Energy: 0.5056662527844925
Energy: 0.5254342370489014
Energy: 1.1528488519328186
Energy: 0.5254342370483209
Energy: 0.6315955577326974
Energy: 0.5464046318095319
Energy: 0.8224833994489041
Energy: 0.5464046318101123
Energy: 0.5065791261437991
Energy: 0.5465387168973436
Energy: 1.0215765167481166
Energy: 0.5465387168973436
Energy: 0.6375665740906651
Energy: 0.5455275310954711
Energy: 0.546267987095665
Energy: 0.5455275310983728
Energy: 0.5056385609403818
Energy: 0.5256307518459644
Energy: 0.8831433285857092
Energy: 0.5256307518465447
Energy: 0.6254865114479652
Energy: 0.5461427727589205
Energy: 0.5050009270384207
Energy: 0.5461427727595008
Energy: 0.5065069561740878
Energy: 0.5464749312778072
Energy: 0.7519622176290983
Energy: 0.5464749312754859
Energy: 0.6584975241138195
Energy: 0.5647261066968577
Energy: 0.5060866845323964
Energy: 0.5647261066945364
Energy: 0.5056453729926741
Energy: 0.5458475980023648
Energy: 0.5940782592604422
Energy: 0.5458475980023648
Energy: 0.9314995082139439
Energy: 0.546276576904077
Energy: 0.5080516107901492
Energy: 0.5462765769034967
Energy: 0.5473916566707118
Energy: 0.5466775842789947
Energy: 0.4322507119932129
Energy: 0.5466775842784143
Energy: 0.9554291920489401
Energy: 0.5644855159186949
Energy: 0.5060350087841208
Energy: 0.5644855159175344
Energy: 0.8210310483663953
Energy: 0.5454690070780129
Energy: 0.4263443838913343
Energy: 0.5454690070774326
Energy: 1.1516716099788002
Energy: 0.5471246035123437
Energy: 0.5078341982686257
Energy: 0.5471246035135044
Energy: 0.8547223156745901
Energy: 0.5459970460720225
Energy: 0.4320550559914352
Energy: 0.5459970460726028
Energy: 1.0439282310140192
Energy: 0.5645509369444363
Energy: 0.506069719385964
Energy: 0.5645509369444363
Energy: 0.8209974858974289
Energy: 0.5455415404403827
Energy: 0.4229954456169481
Energy: 0.5455415404403827
Energy: 1.019856865065536
Energy: 0.5472927352709204
Energy: 0.5078417892028929
Energy: 0.5472927352715008
Energy: 0.547430856926984
Energy: 0.5453913756683959
Energy: 0.6356071891089694
Energy: 0.5453913756689762
Energy: 0.7838285403184015
Energy: 0.5648797509932211
Energy: 0.5061235885954573
Energy: 0.5648797509932211
Energy: 0.5059022947937524
Energy: 0.5454670516275498
Energy: 0.6257046830833908
Energy: 0.5454670516281303
Energy: 0.7519918457757188
Energy: 0.5465342635798566
Energy: 0.507926195813336
Energy: 0.5465342635804369
Energy: 0.5068846541032358
Energy: 0.7865723934596727
Energy: 0.6584236159223404
Energy: 0.7865723934596727
Energy: 0.46159376955386416
Energy: 0.5831626883041131
Energy: 0.5070704153801968
Energy: 0.5831626883099165
Energy: 0.509451837175925
Energy: 0.5454137294213358
Energy: 0.9299107382575877
Energy: 0.5454137294195949
Energy: 0.4323255418881611
Energy: 0.5465895271428682
Energy: 0.549278514346652
Energy: 0.5465895271434486
Energy: 0.5069029563449832
Energy: 0.7868220435655727
Energy: 0.962581677671757
Energy: 0.7868220435655727

minimum gb energy = 0.4229954456169481 eV
minimum distance =  2.25966702056725 Angstroms
sigma value = 113


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

Energy: 0.018680448557650237
Energy: 0.019510426892890065
Energy: 0.7094014403009072
Energy: 0.019510426892890065
Energy: 0.7090831928523238
Energy: -0.5052013677254933
Energy: -0.5031609046128427
Energy: -0.505201367724601
Energy: 0.01868044855675797
Energy: 0.019510426892890065
Energy: 0.70940144031444
Energy: 0.01951042689244393
Energy: 0.7090831928527699
Energy: -0.5052013677259395
Energy: -0.5031609046128427
Energy: -0.505201367726336
Energy: 0.018680448556311832
Energy: 0.019510426892890065
Energy: 0.7094014403009072
Energy: 0.01951042689244393
Energy: 0.7090831928527699
Energy: -0.5052013677259395
Energy: -0.503160904613735
Energy: -0.5052013677250471

minimum gb energy = -0.505201367726336 eV
minimum distance =  2.45621626861063 Angstroms
sigma value = 1