Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.158251941204071
cohesive_energy=6.380583344111484
mass=95.95
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: 0.016176024205208445
Energy: 0.016297901201998706
Energy: 3.8404851937716136
Energy: 0.016297901201998706
Energy: 0.016297901201998706
Energy: 0.016540153568739446
Energy: 0.2173084334835891
Energy: 0.016540153568739446
Energy: 3.84048519336681
Energy: 0.2173084334835891
Energy: 0.016642087875276962
Energy: 0.2173084334835891
Energy: 0.016297901201998706
Energy: 0.016540153568739446
Energy: 0.2173084334835891
Energy: 0.016540153568739446

minimum gb energy = 0.016176024205208445 eV
minimum distance =  2.73253686712449 Angstroms
sigma value = 1


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

Energy: 1.7783933691200124
Energy: 1.1020921291099277
Energy: 1.0122384926973604
Energy: 1.1020921291099277
Energy: 1.936683464229937
Energy: 1.0277027431791492
Energy: 1.0405455675534019
Energy: 1.0277027431781527
Energy: 2.229662927242061
Energy: 1.0216551454157838
Energy: 1.0304738873050747
Energy: 1.021655145417777
Energy: 1.4076450073201359
Energy: 0.9932741034065703
Energy: 1.024556930144211
Energy: 0.9932741035062308
Energy: 1.5488245406706116
Energy: 1.0285080712303456
Energy: 1.531800516856603
Energy: 1.0285080712322932
Energy: 1.9563742810378149
Energy: 1.0109730613530248
Energy: 1.019511408748464
Energy: 1.010973061350035
Energy: 1.278716633347948
Energy: 1.1445005234455714
Energy: 0.9783275397537071
Energy: 1.1445005234455714
Energy: 1.0344122654414183
Energy: 1.009044069269987
Energy: 1.5030083999452823
Energy: 1.00904406927198
Energy: 1.2997856351177484
Energy: 1.0078285889355194
Energy: 1.5951222070751985
Energy: 1.007828588939506
Energy: 1.9822497690662815
Energy: 1.0151146514475613
Energy: 1.2860904637534571
Energy: 1.0151146514455682
Energy: 1.0318588098504917
Energy: 1.1768584467116932
Energy: 1.4238711581365293
Energy: 1.1768584467126897
Energy: 1.0104897504575698
Energy: 1.022581549705498
Energy: 2.888682691918442
Energy: 1.0225815496885555
Energy: 1.2955028268325857
Energy: 1.174677777935134
Energy: 1.5501143197883007
Energy: 1.1746777779391206
Energy: 1.028060749785747
Energy: 1.0261995169868272
Energy: 1.4934985174603985
Energy: 1.0261995169898168
Energy: 0.9001657241119679
Energy: 1.0131874306815858
Energy: 1.9885079963989856
Energy: 1.0131874306825825
Energy: 1.015566823343387
Energy: 1.0150909235358314
Energy: 2.0033017446893817
Energy: 1.0150909235328414
Energy: 1.0246526146015833
Energy: 1.0349247369229586
Energy: 1.516578787431468
Energy: 1.0349247369229586
Energy: 1.3161992900605877
Energy: 1.1781594291137665
Energy: 1.6099142753165356
Energy: 1.178159429111773
Energy: 1.0315889680941868
Energy: 1.0326865036011865
Energy: 2.2266559616357355
Energy: 1.0326865036011865
Energy: 1.0157432181461943
Energy: 1.179303431407195
Energy: 1.2821961592221747
Energy: 1.1793034314042052
Energy: 1.9959143385418392
Energy: 1.014280739911618
Energy: 1.3192536440235656
Energy: 1.0142807399126148
Energy: 1.3019959314920333
Energy: 1.0279922334357556
Energy: 1.5487776355361833
Energy: 1.0279922334357556
Energy: 1.1656563542776985
Energy: 0.9817010719952565
Energy: 1.2967530001117984
Energy: 0.9817010719733312
Energy: 1.5089366134230255
Energy: 1.130638258969006
Energy: 1.015157529339949
Energy: 1.1306382589680095
Energy: 1.970330006298337
Energy: 1.012544634492709
Energy: 1.0068280121716524
Energy: 1.012544634489719
Energy: 1.5823997549210354
Energy: 1.0210173119584645
Energy: 1.5253052981669568
Energy: 1.02101731197441
Energy: 1.6309797344325965
Energy: 1.0261293333620598
Energy: 1.0317475982240747
Energy: 1.0261293333630563
Energy: 2.4310202357853403
Energy: 1.0215107922777376
Energy: 1.0110226114324141
Energy: 1.0215107922807274
Energy: 1.961082779455432
Energy: 1.0099585139307161
Energy: 1.0100769293361824
Energy: 1.0099585139476586
Energy: 1.5697621611564834
Energy: 1.0096093328815199
Energy: 1.0263587879361242
Energy: 1.0096093328805231
Energy: 1.9648432063169619
Energy: 1.0304504540014818
Energy: 1.0109118208549825
Energy: 1.0304504539994888
Energy: 1.9853578953192783
Energy: 1.0354886835981174
Energy: 1.0309659773034496
Energy: 1.035488683600111
Energy: 1.5838945027259186
Energy: 1.0260275197282684
Energy: 1.037829227728358
Energy: 1.026027519729265

minimum gb energy = 0.9001657241119679 eV
minimum distance =  2.60669509086129 Angstroms
sigma value = 1


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

Energy: 2.0778820751664737
Energy: 1.1238792997749487
Energy: 1.1424461689009189
Energy: 1.12387929972836
Energy: 1.815559367446095
Energy: 1.1061475229505418
Energy: 1.1397411487786513
Energy: 1.1061475229516782
Energy: 1.7513703281274966
Energy: 1.0896523012028716
Energy: 1.147665973786529
Energy: 1.089651082148508
Energy: 1.095250843163325
Energy: 1.2755966960414284
Energy: 1.1281490342931297
Energy: 1.2755966960414284
Energy: 1.0067927765916946
Energy: 1.4242321364510915
Energy: 1.786998284595084
Energy: 1.4242321364181385
Energy: 1.7949395412260665
Energy: 1.1131717960881804
Energy: 1.1343315329287127
Energy: 1.1131717961347687
Energy: 1.1007753591067868
Energy: 1.232598540384871
Energy: 1.1339534368049455
Energy: 1.2325985403871433
Energy: 1.1524321899129426
Energy: 1.1268411465226469
Energy: 1.7976580333032923
Energy: 1.1268411465215622
Energy: 1.1514997590053104
Energy: 1.0974680165694142
Energy: 1.8010231823092828
Energy: 1.0974680165682777
Energy: 1.06446999712703
Energy: 1.1228031392511932
Energy: 1.1039797665592148
Energy: 1.122803139250057
Energy: 1.1350431631691533
Energy: 1.1335101163291048
Energy: 1.7659740677541635
Energy: 1.1335101163279684
Energy: 1.1420159941693768
Energy: 1.1273991996531678
Energy: 2.77801074564475
Energy: 1.1273991996622068
Energy: 1.1303597403099432
Energy: 1.208938511338511
Energy: 1.7523724350570744
Energy: 1.2089385113566402
Energy: 1.130359740269088
Energy: 1.2524111677572225
Energy: 1.7606117777625983
Energy: 1.2524111677572225
Energy: 1.0470688679472333
Energy: 1.095195575439418
Energy: 2.785950283907429
Energy: 1.0951955753031128
Energy: 1.0631629699028986
Energy: 1.1391775018526948
Energy: 1.8233250483634442
Energy: 1.1391775018515584
Energy: 1.0644699973041905
Energy: 1.1258465947161023
Energy: 1.0808878971387426
Energy: 1.1258465947172385
Energy: 1.133309060079732
Energy: 1.100510583094091
Energy: 1.7899995905384243
Energy: 1.1005105830929547
Energy: 1.1525068728226728
Energy: 1.1279375345777831
Energy: 1.7976580333010197
Energy: 1.127937534576647
Energy: 1.1208277591834328
Energy: 0.958806204007891
Energy: 1.1338935722417174
Energy: 0.9820251778714978
Energy: 1.7196073900743432
Energy: 1.1068567156405429
Energy: 1.1217094465920814
Energy: 1.1068567156144078
Energy: 0.970770355077562
Energy: 1.1418870901235165
Energy: 1.7869982843701981
Energy: 1.141887090125789
Energy: 1.0299469360903821
Energy: 1.224249764947238
Energy: 1.1281490342919935
Energy: 1.2242497758043913
Energy: 1.767002028001624
Energy: 1.1454317327784267
Energy: 1.1362894215387322
Energy: 1.1454317327727452
Energy: 1.8557721189097178
Energy: 1.0827110018335404
Energy: 1.1397411487877418
Energy: 1.0827110018517212
Energy: 2.0778821013728086
Energy: 1.1238793000520526
Energy: 1.1424461014728837
Energy: 1.1238793000679608
Energy: 1.8155593674154147
Energy: 1.106147522955087
Energy: 1.1397411487763787
Energy: 1.1061475229505418
Energy: 1.7513703280377284
Energy: 1.0896515282053474
Energy: 1.14766597379784
Energy: 1.0896513634924017
Energy: 1.0952508432201404
Energy: 1.2755966960334744
Energy: 1.1281490342931297
Energy: 1.275596696040292

minimum gb energy = 0.958806204007891 eV
minimum distance =  2.60007629956928 Angstroms
sigma value = 25


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

Energy: 1.6282955510241328
Energy: 1.5838869493392853
Energy: 1.2062198817227163
Energy: 1.5836378523451806
Energy: 2.0362639395698534
Energy: 1.127780498862075
Energy: 1.0214161249140647
Energy: 1.1277805126213911
Energy: 2.019649111857487
Energy: 1.1229759868860603
Energy: 1.1131445344639928
Energy: 1.1228957348418849
Energy: 1.4745060176128084
Energy: 1.0676659715551884
Energy: 1.2007607343600817
Energy: 1.0676739449743933
Energy: 1.4857625749135748
Energy: 1.0738736037667371
Energy: 1.5637833014014155
Energy: 1.0738293991880004
Energy: 2.071285979365908
Energy: 1.142628431286702
Energy: 1.1107423765934257
Energy: 1.1426284312523578
Energy: 1.1711832522908947
Energy: 1.0405485480952736
Energy: 1.1539968620629846
Energy: 1.0405479847324606
Energy: 1.179791391276229
Energy: 1.1946447218130452
Energy: 2.0070642373907077
Energy: 1.1946447217391032
Energy: 1.1658365104755617
Energy: 1.2543713092281459
Energy: 1.4740639172392471
Energy: 1.2543712856045757
Energy: 1.16584319059637
Energy: 1.0126863728909006
Energy: 1.5707814658890225
Energy: 1.0292960537826163
Energy: 1.1151592711926512
Energy: 1.221964109327317
Energy: 2.060121407165145
Energy: 1.2219634347308603
Energy: 1.2805813028247273
Energy: 1.1648042686831965
Energy: 1.9878582565253957
Energy: 1.1648044893970997
Energy: 1.2181300771745718
Energy: 0.9532544150681896
Energy: 1.5494306926881554
Energy: 1.060821839286834
Energy: 1.1368074958768177
Energy: 1.2160539954086393
Energy: 1.571526618101143
Energy: 1.216057672576938
Energy: 1.2115930111937265
Energy: 1.2236579957832623
Energy: 2.270693990209067
Energy: 1.2236579958888767
Energy: 1.1660375640544733
Energy: 1.1583279984407824
Energy: 1.1519167016936305
Energy: 1.1583279984698127
Energy: 2.4409222698265842
Energy: 1.1272825252524032
Energy: 1.1232926808403036
Energy: 1.1272838810919363
Energy: 1.6175120981757483
Energy: 1.1697027252059709
Energy: 1.53606557761258
Energy: 1.1697027252138963
Energy: 1.4599261519575835
Energy: 1.1546517747453287
Energy: 1.2420184037262834
Energy: 1.1546517691761382
Energy: 1.4562047617075937
Energy: 1.1551795675651548
Energy: 1.0503471358048242
Energy: 1.1551852552863864
Energy: 2.004371981862779
Energy: 1.1718701401691147
Energy: 1.0740204523977714
Energy: 1.1718701155288789
Energy: 1.388794563022406
Energy: 0.8556073552806117
Energy: 1.1748969128535063
Energy: 0.8947395724737932
Energy: 1.971763953756402
Energy: -1.3205600204569918
Energy: 1.1577729304559408
Energy: 1.1590620980828377
Energy: 2.0783818538580845
Energy: 1.3430026419501118
Energy: 1.3385201217627385
Energy: 1.3430026420385843
Energy: 1.4905793200724355
Energy: 1.039953512314879
Energy: 1.1831885220345717
Energy: 1.0302317487650805

minimum gb energy = -1.3205600204569918 eV
minimum distance =  2.60924421120495 Angstroms
sigma value = 9


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

Energy: -0.1717652570330802
Energy: -0.18781629274259007
Energy: 1.1843995368488451
Energy: -0.17010957134803642
Energy: 1.1619034296081818
Energy: -0.05279239668940153
Energy: -0.17419258783339725
Energy: -0.2041988284532275
Energy: -0.13430921200198243
Energy: -0.18763399978859474
Energy: -0.21560417084704403
Energy: -0.24055151744221984
Energy: -0.16306797750576385
Energy: -0.16418118152527286
Energy: -0.167977879532684
Energy: -0.2850159893090431
Energy: -0.19769822881018895
Energy: -0.1982128279309356
Energy: -0.15716687875361124
Energy: -0.2182150976730817
Energy: 1.8377294276774112
Energy: -0.1733980859137271
Energy: -0.222143748470599
Energy: -0.1399570330960336
Energy: -0.18751798821383103
Energy: -0.11608847499664644
Energy: -0.19671441853998026
Energy: -0.22121068120598006
Energy: -0.15906215241259478
Energy: -0.16217950581771037
Energy: 2.021564102546621
Energy: -0.08976988786312043
Energy: 1.375319344708155
Energy: -0.15430803259248932
Energy: -0.10063776456342662
Energy: -0.008440577467578642
Energy: 1.334942900132542
Energy: -0.20003974021802212
Energy: -0.16030759742709838
Energy: -0.2081450979307744
Energy: -0.1312405994402453
Energy: -0.09448182108700232
Energy: 1.7265929369796782
Energy: -0.007656241472327376
Energy: -0.13802550912167555
Energy: 0.48956172157678535
Energy: 1.7331956807976616
Energy: 1.0659976239698201
Energy: 1.4320098459565576
Energy: -0.2363914646430763
Energy: -0.16371862924258196
Energy: -0.232846226914595
Energy: -0.18781844998098998
Energy: -0.10248561674805709
Energy: -0.06090526657178885
Energy: -0.1274972683653444
Energy: -0.19668646627768244
Energy: -0.05247259148460636
Energy: 1.341433913029681
Energy: -0.2426629313714758
Energy: 1.7336016251117294
Energy: 1.2354704507157195
Energy: -0.1893832158214479
Energy: 0.9151705323924707
Energy: 1.948029980728383
Energy: -0.07195152225712641
Energy: -0.23533535439875422
Energy: -0.08273229426204584
Energy: -0.21953477714928402
Energy: -0.26265313506907134
Energy: 1.475049594212205
Energy: -0.12423983207354027
Energy: -0.24237252183287575
Energy: -0.16909165464423392
Energy: 1.3000839653924325
Energy: -0.12102909311469902
Energy: 2.0219029490094473
Energy: -0.17176208730976927
Energy: -0.16645664349302772
Energy: -0.22232006059811626
Energy: -0.05397776377124862
Energy: -0.22705261448121572
Energy: -0.08074490506275435
Energy: -0.10667168432679644

minimum gb energy = -0.2850159893090431 eV
minimum distance =  2.59403184108703 Angstroms
sigma value = 25


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

Energy: 1.5373157357899543
Energy: 1.8635806635282068
Energy: 2.0130056793112354
Energy: 1.8635806635282068
Energy: 1.9547635731230901
Energy: 1.8492742949736611
Energy: 1.981567153261369
Energy: 1.8492742949717123
Energy: 1.7855630902931101
Energy: 1.8879222455270088
Energy: 1.8845593537548146
Energy: 1.8879222455270088
Energy: 1.7279830608368247
Energy: 1.8788915177273642
Energy: 1.8529324113342047
Energy: 1.878891517729313
Energy: 1.8576511194046157
Energy: 1.8156448139388215
Energy: 2.1975786392257532
Energy: 1.815644777996472
Energy: 2.4377492776463012
Energy: 1.7008681156793022
Energy: 1.7076437546304528
Energy: 1.7008681156793022
Energy: 1.8975860101362396
Energy: 1.8816381578702623
Energy: 1.6811928714168232
Energy: 1.8816381578663648
Energy: 1.876017068403697
Energy: 1.9589185966013263
Energy: 2.2391161024453625
Energy: 1.9589185966013263
Energy: 2.0858955601966667
Energy: 1.7039064403257933
Energy: 1.6676551206620562
Energy: 1.7039064403257933
Energy: 1.8734835064508613
Energy: 1.7088493507820577
Energy: 1.7042684951055063
Energy: 1.7088493507820577
Energy: 1.81929587581748
Energy: 1.8844749951928286
Energy: 2.141392590951441
Energy: 1.8844749951928286
Energy: 1.8778030196234465
Energy: 1.7117157413082482
Energy: 1.8134099239801653
Energy: 1.7117157413082482
Energy: 1.7935736121463481
Energy: 1.8837714130023542
Energy: 1.8800571503248982
Energy: 1.8837714130004055
Energy: 1.9281515565502658
Energy: 1.7921051599913926
Energy: 2.0441430426109184
Energy: 1.7921051610432308
Energy: 1.7764428552148035
Energy: 1.7020635910724857
Energy: 2.031177678214572
Energy: 1.7020635910705368
Energy: 2.031147924118634
Energy: 1.771652827146386
Energy: 1.8476821723472538
Energy: 1.771652827144437
Energy: 1.8385681221026025
Energy: 1.6845117400810266
Energy: 1.8656776689988155
Energy: 1.6845117487159829

minimum gb energy = 1.5373157357899543 eV
minimum distance =  2.58871377942949 Angstroms
sigma value = 17


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

Energy: 2.0416848299230876
Energy: 1.8798026912583432
Energy: 2.1682284535691627
Energy: 1.8798026912583432
Energy: 1.9328958902930784
Energy: 2.1072295544072412
Energy: 1.968184700194807
Energy: 2.1072295544039297
Energy: 1.8678692312003038
Energy: 2.1120934914856737
Energy: 1.9850969206372666
Energy: 2.1120934914856737
Energy: 2.0750600376808577
Energy: 2.0518351252902356
Energy: 1.9535068389158314
Energy: 2.0518351252902356
Energy: 1.8863851382498082
Energy: 2.103297677956967
Energy: 2.0653167771581016
Energy: 2.10329767795807
Energy: 2.4236118894896403
Energy: 1.9503147154466485
Energy: 1.9031029646525497
Energy: 1.950314715445545
Energy: 2.043266329011431
Energy: 2.046372269245685
Energy: 2.0538269332315764
Energy: 2.0463722692434776
Energy: 2.041948778929845
Energy: 2.044949464650852
Energy: 2.208917248209742
Energy: 2.0449494646497484
Energy: 2.0246563749873787
Energy: 2.070178722776412
Energy: 1.958403395027726
Energy: 2.070178722774205
Energy: 2.157691134715909
Energy: 2.123052606509582
Energy: 1.9091796068741638
Energy: 2.123052606512893
Energy: 2.0090530699832656
Energy: 2.0008002070814017
Energy: 2.1435111114117125
Energy: 2.0008002070780906
Energy: 1.871492638133128
Energy: 2.0744855654511016
Energy: 1.928025489765316
Energy: 2.0744855654511016
Energy: 2.088883531982323
Energy: 2.194711038193457
Energy: 1.921420923767966
Energy: 2.194711038194561
Energy: 2.0039113969326965
Energy: 2.0034665418982294
Energy: 2.0970435141557138
Energy: 2.003466541897126
Energy: 2.008656173676735
Energy: 2.0229353017431664
Energy: 2.2145396025751656
Energy: 2.0229353017431664
Energy: 2.1478783269655115
Energy: 2.0716676147141704
Energy: 1.9639799212580917
Energy: 2.0716676147141704
Energy: 2.0054964229590584
Energy: 2.076355470536141
Energy: 2.069974089023845
Energy: 2.0763554705350376
Energy: 2.1211497632091856
Energy: 2.185953586152977
Energy: 1.8699789045545654
Energy: 2.1859535861518737
Energy: 2.0021219875958405
Energy: 2.1143705003855473
Energy: 2.127525348821824
Energy: 2.114370500387755
Energy: 2.222744323192011
Energy: 1.954165320729316
Energy: 2.118473807291563
Energy: 1.954165320729316
Energy: 2.0378932627887125
Energy: 2.1221461855960126
Energy: 2.066357401463442
Energy: 2.1221461855960126
Energy: 2.0328213527725616
Energy: 2.074491968091744
Energy: 2.102399162340786
Energy: 2.074491968091744
Energy: 1.9996253824306949
Energy: 2.1025998511344395
Energy: 2.085124764825031
Energy: 2.1025998511344395
Energy: 2.0232103070362695
Energy: 1.971937597943874
Energy: 1.9355021059574167
Energy: 1.9719375979416667
Energy: 2.0232426033022852
Energy: 1.976651108799094
Energy: 2.054869179404516
Energy: 1.976651108799094
Energy: 2.02253010369733
Energy: 2.103595639163429
Energy: 2.1033243000968698
Energy: 2.103595639163429
Energy: 2.036827386145585
Energy: 2.073299908749118
Energy: 2.0866773943665784
Energy: 2.073299908749118
Energy: 2.060236518802116
Energy: 2.040862691330884
Energy: 2.129574785439515
Energy: 2.040862691331987
Energy: 1.832902764808081
Energy: 2.1171982176305937
Energy: 2.1281818808513506
Energy: 2.1171982176294897
Energy: 2.1818045165906064
Energy: 1.951458840879812
Energy: 1.8987364453730176
Energy: 1.95145884087319

minimum gb energy = 1.832902764808081 eV
minimum distance =  2.59530809891376 Angstroms
sigma value = 53


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

Energy: 2.3697936369589634
Energy: 2.360704627486722
Energy: 2.2541418908308337
Energy: 2.360704627486722
Energy: 1.7676991724141538
Energy: 2.317836710342561
Energy: 2.3658694109520453
Energy: 2.317836710342561
Energy: 1.7608513080628911
Energy: 1.6939143806663484
Energy: 1.7679729895871525
Energy: 1.693914380280311
Energy: 1.5941757687232363
Energy: 1.5606549084868275
Energy: 1.7053328979685134
Energy: 1.560872985827092
Energy: 2.3656351238124955
Energy: 2.3178834894624387
Energy: 1.7643162354607262
Energy: 2.3178834894624387
Energy: 2.2541418891063407
Energy: 2.360704627486722
Energy: 2.3697936369589634
Energy: 2.360704627486722
Energy: 2.3658694109520453
Energy: 2.317836710342561
Energy: 1.7676991723735
Energy: 2.317836710342561
Energy: 1.7679729895871525
Energy: 1.693914381418096
Energy: 1.760851305596785
Energy: 1.6939143692451855
Energy: 1.7053329014428786
Energy: 1.5608198098504795
Energy: 1.5940510128029417
Energy: 1.5606328748348126
Energy: 1.7643162354556445
Energy: 2.3178834894624387
Energy: 2.3656351238124955
Energy: 2.3178834894624387
Energy: 2.3697936369589634
Energy: 2.360704627486722
Energy: 2.2541418875748955
Energy: 2.360704627486722
Energy: 1.7676991723887454
Energy: 2.317836710342561
Energy: 2.3658694109520453
Energy: 2.317836710342561
Energy: 1.7608512984449012
Energy: 1.6939143879655443
Energy: 1.7679729895871525
Energy: 1.6939143823958938

minimum gb energy = 1.5606328748348126 eV
minimum distance =  2.6428353946349 Angstroms
sigma value = 9


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

Energy: 2.3833258412605174
Energy: 2.109219544331308
Energy: 2.32058957037092
Energy: 2.109219544331308
Energy: 2.020145595659423
Energy: 2.067781195325999
Energy: 2.1311623489339815
Energy: 2.067781195323178
Energy: 2.0921542072579387
Energy: 2.1366788336444364
Energy: 2.177257569658946
Energy: 2.136678833645376
Energy: 2.1155385176970953
Energy: 2.2239799887266063
Energy: 2.1135999307415556
Energy: 2.2239799887284875
Energy: 2.088191694244092
Energy: 2.0951379388438696
Energy: 2.0315078112171236
Energy: 2.0951379388448097
Energy: 2.545111571763776
Energy: 2.4188421276047465
Energy: 2.4381982728160954
Energy: 2.418842127607568
Energy: 2.035290670272651
Energy: 2.1794943238711975
Energy: 2.1464402467065935
Energy: 2.179494323870257
Energy: 2.124339465323039
Energy: 2.200559334328048
Energy: 2.1054952450617197
Energy: 2.2005593343261673
Energy: 2.0610187382966094
Energy: 2.1321596511530365
Energy: 2.16652931424446
Energy: 2.1321596511502157
Energy: 2.004419857947337
Energy: 2.13253509699968
Energy: 2.1822034780060084
Energy: 2.1325350970034416
Energy: 2.1512677009613927
Energy: 2.197648870094503
Energy: 2.26939821291993
Energy: 2.197648870091682
Energy: 2.281581361616241
Energy: 2.2184251152195618
Energy: 1.9493239407314784
Energy: 2.2184251152195618
Energy: 2.154371661604263
Energy: 2.1600679137106336
Energy: 2.1814466567599524
Energy: 2.160067913711574
Energy: 2.102506217793164
Energy: 2.143622940494184
Energy: 1.9231346491527552
Energy: 2.143622940494184
Energy: 2.108214845961081
Energy: 2.196921512290933
Energy: 1.9593504658338803
Energy: 2.196921512290933
Energy: 2.2977758718023757
Energy: 2.151423773953885
Energy: 2.1608536850405082
Energy: 2.151423773952004
Energy: 2.1065845995365615
Energy: 2.06104199910542
Energy: 2.4981785964940135
Energy: 2.061041999101658
Energy: 2.1416616337483068
Energy: 2.0318878311686
Energy: 2.1579342667547086
Energy: 2.0318878311667192
Energy: 2.2643319423811414
Energy: 2.129384922448882
Energy: 2.0670379997596116
Energy: 2.1293849224498222
Energy: 2.081006712412102
Energy: 2.1417739526515662
Energy: 2.1613016183219083
Energy: 2.1417739526731956
Energy: 1.870677380069573
Energy: 2.1907570255635096
Energy: 2.4396755429279917
Energy: 2.1907570255635096
Energy: 2.0409270841330542
Energy: 1.9827801817384763
Energy: 2.090476390095018
Energy: 1.982780181740357
Energy: 2.142844456992969
Energy: 1.9760973788393699
Energy: 2.170649613298858
Energy: 1.9760973788412506
Energy: 2.0712306108700598
Energy: 2.0591042831577004
Energy: 2.2585505706506233
Energy: 2.05910428315676
Energy: 2.075779764385733
Energy: 2.185685920568601
Energy: 1.9432631408348127
Energy: 2.18568592056766
Energy: 2.1979267282451938
Energy: 2.3051535747339638
Energy: 1.9458668544466164
Energy: 2.3051535747339638
Energy: 2.2838649600973233
Energy: 1.8417569178086648
Energy: 2.207686468001882
Energy: 1.8417569178077242
Energy: 2.326072855687906
Energy: 1.841737475484326
Energy: 2.1738749415718215
Energy: 1.8417374754824454
Energy: 2.16193852424856
Energy: 2.2661688910237645
Energy: 1.9537748493872507
Energy: 2.266168891026586
Energy: 2.0677219993526497
Energy: 2.0692450011402777
Energy: 1.9408550395960866
Energy: 2.0692450011384396
Energy: 2.081112269456537
Energy: 2.0679907891638685
Energy: 2.150100075658719
Energy: 2.067990789165749
Energy: 2.1472482755559716
Energy: 1.8754953949320663
Energy: 2.167986040053118
Energy: 1.8754953949301856
Energy: 2.4546126370912247
Energy: 1.8635809004591175
Energy: 2.1681091731700084
Energy: 1.863580900466641
Energy: 1.871442659057431
Energy: 2.067202964395819
Energy: 2.4348803352904227
Energy: 2.0672029643986405
Energy: 2.0766291960448413
Energy: 2.022802575115119
Energy: 2.1563613743307997
Energy: 2.022802575113238

minimum gb energy = 1.8417374754824454 eV
minimum distance =  2.59125625860797 Angstroms
sigma value = 73


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

Energy: 2.457850756218359
Energy: 2.427799601884177
Energy: 2.527193593553204
Energy: 2.427799601884177
Energy: 2.121304299646852
Energy: 2.0745359171185327
Energy: 2.2191196533103876
Energy: 2.0745359171170406
Energy: 2.0515568561038324
Energy: 2.281204797236557
Energy: 2.045670609938185
Energy: 2.281204797236557
Energy: 2.1728639121246722
Energy: 2.0532333945653587
Energy: 2.279131613165373
Energy: 2.0532333945638666
Energy: 2.2962285744295547
Energy: 2.0542198548158908
Energy: 1.7226468454523178
Energy: 2.0542198548158908
Energy: 2.7037975001906163
Energy: 2.0594758258337222
Energy: 1.984893853907324
Energy: 2.0594758258337222
Energy: 2.0289785018409923
Energy: 2.096291737509633
Energy: 1.6641638382245756
Energy: 2.096291737758702
Energy: 2.0589728312717392
Energy: 2.050931408043612
Energy: 2.17100424640427
Energy: 2.0509314080465963
Energy: 1.9234171073554096
Energy: 2.2763974693067155
Energy: 2.0995216990432546
Energy: 2.2763974693067155
Energy: 1.98857148519516
Energy: 2.279472636588314
Energy: 2.128652375845393
Energy: 2.2794726365868216
Energy: 2.0503396300506753
Energy: 2.0548318277213036
Energy: 2.7065772326170925
Energy: 2.0548318277227957
Energy: 2.24457575877174
Energy: 2.0535745785758066
Energy: 2.2644788740232964
Energy: 2.0535745785743145
Energy: 2.2265858092032107
Energy: 2.057474578383402
Energy: 1.9692671251986877
Energy: 2.05747457838191
Energy: 2.081577650740104
Energy: 2.172063760727123
Energy: 2.306732673108769
Energy: 2.1720637607256315
Energy: 2.165383369464988
Energy: 2.049567177281872
Energy: 2.1149034867465457
Energy: 2.049567177281872
Energy: 2.3931742900915416
Energy: 2.282143603701772
Energy: 1.8927863635762407
Energy: 2.282143603698788
Energy: 2.080747349949397
Energy: 1.9674434602459812
Energy: 2.326937408323094
Energy: 1.9674434602474733
Energy: 2.2206683615090737
Energy: 1.9477912284222907
Energy: 2.333142154780639
Energy: 1.9477912284237828
Energy: 2.3874923149289127
Energy: 2.286016681347501
Energy: 2.1256209656059437
Energy: 2.286016681347501
Energy: 2.146922937693633
Energy: 2.057010028595551
Energy: 1.9728737564025787
Energy: 2.057010028597043
Energy: 2.0712763784831965
Energy: 2.0666924885149025
Energy: 1.9948150696001625
Energy: 2.066692488520871
Energy: 2.256639574625865
Energy: 2.057620676647084
Energy: 1.9563146758769678
Energy: 2.057620676647084

minimum gb energy = 1.6641638382245756 eV
minimum distance =  2.59596288381643 Angstroms
sigma value = 7


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

Energy: 2.6050205889276747
Energy: 1.9429147328425296
Energy: 2.4603597238480166
Energy: 1.9429147328414746
Energy: 2.162347602919047
Energy: 1.9670260903066534
Energy: 2.161398197151589
Energy: 1.9670260903066534
Energy: 2.159171660145768
Energy: 2.140401691892813
Energy: 2.131350251252368
Energy: 2.140401691892813
Energy: 2.1037304305518827
Energy: 1.8857984807513806
Energy: 2.121270495383223
Energy: 1.8857984807503256
Energy: 2.3054130598697835
Energy: 2.138547665324257
Energy: 1.8778605538077775
Energy: 2.1385476653232023
Energy: 2.281836111950184
Energy: 1.8836115899902481
Energy: 1.9110048845109116
Energy: 1.8836115899891932
Energy: 1.9526189277397326
Energy: 2.099729107613284
Energy: 2.453997126609878
Energy: 2.099729107613284
Energy: 1.9120545584935198
Energy: 1.883434282151553
Energy: 2.290488441048417
Energy: 1.883434282151553
Energy: 2.5556910137820137
Energy: 2.138080770748046
Energy: 2.124993260874096
Energy: 2.1380807707522655
Energy: 2.118725416761538
Energy: 1.8867003682885681
Energy: 2.0862383029094413
Energy: 1.8867003682875128
Energy: 2.1276921931853354
Energy: 2.1408161775163497
Energy: 2.2910813131576986
Energy: 2.1408161775152945
Energy: 2.432790504412047
Energy: 1.8877409583692808
Energy: 2.5326125510122113
Energy: 1.8877409583692808
Energy: 2.4262691752236316
Energy: 1.8970285483005451
Energy: 2.163654651214824
Energy: 1.8970285483037104
Energy: 2.118230006306946
Energy: 2.124908187390893
Energy: 2.147610741532565
Energy: 2.124908187389838
Energy: 2.126925240206161
Energy: 1.8957283098595772
Energy: 2.093922768845591
Energy: 1.8957283098585218
Energy: 2.3552595253008946
Energy: 2.295487873483188
Energy: 2.1696796073635833
Energy: 2.295487873484243
Energy: 1.888174402846646
Energy: 1.8945393483488435
Energy: 2.2954535250723103
Energy: 1.8945393483488435
Energy: 1.8805069650026598
Energy: 2.1374317400447462
Energy: 2.4483088353576954
Energy: 2.1374317400436915
Energy: 2.3080916257979096
Energy: 1.8932852794353265
Energy: 1.8870541524407234
Energy: 1.8932852794363815
Energy: 2.300358398805833
Energy: 2.1395586197557366
Energy: 1.8808765558771259
Energy: 2.1395586197557366
Energy: 2.09624510663845
Energy: 2.1469324896097333
Energy: 2.1218237892282876
Energy: 2.1469324896086777
Energy: 2.0909880874893028
Energy: 2.140044338561994
Energy: 2.130845992590282
Energy: 2.1400443385609393
Energy: 2.1887695844937074
Energy: 2.166076265627776
Energy: 2.165628965155189
Energy: 2.166076265626721
Energy: 2.1620321976974726
Energy: 1.8901002024830138
Energy: 2.383335823373693
Energy: 1.8901002024840687
Energy: 2.4143013521436525
Energy: 1.8839539562602252
Energy: 2.1411422221300094
Energy: 1.8839539562602252
Energy: 2.292106079992104
Energy: 2.1402371676604184
Energy: 2.131294993029952
Energy: 2.1402371676593632
Energy: 2.120592655531036
Energy: 1.8823175861276757
Energy: 2.1155558668627243
Energy: 1.882317586126621
Energy: 2.3006038823820485
Energy: 2.1384936892242687
Energy: 2.593615603881955
Energy: 2.1384936892242687
Energy: 2.2826186580650822
Energy: 1.880210484640985
Energy: 1.9118639296837667
Energy: 1.8802104846399303
Energy: 2.4872962383066555
Energy: 2.0497004366630733
Energy: 2.4847799051971555
Energy: 2.049700436664128
Energy: 1.9117448058479882
Energy: 1.880327199457781
Energy: 2.2826186580640266
Energy: 1.880327199457781

minimum gb energy = 1.8778605538077775 eV
minimum distance =  2.60790095568002 Angstroms
sigma value = 29


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

Energy: 1.3105079745330637
Energy: 1.819239062692759
Energy: 2.317832321428914
Energy: 1.8192390626931265
Energy: 2.500833321436222
Energy: 1.7122390424042966
Energy: 1.7825251676360483
Energy: 1.7122390424100131
Energy: 2.3448027706856878
Energy: 1.769507336684564
Energy: 1.7416569276285956
Energy: 1.769507336684564
Energy: 2.0180295491861635
Energy: 1.8087100477648113
Energy: 1.7248910886918445
Energy: 1.8087100477640763
Energy: 2.1016460260179284
Energy: 1.7360569209010484
Energy: 1.719237085732854
Energy: 1.7360569209010484
Energy: 2.264870975885186
Energy: 1.7048697180580998
Energy: 1.726841093539934
Energy: 1.7048697183382562
Energy: 1.9800234070475677
Energy: 1.7688684686379423
Energy: 2.2547492690789848
Energy: 1.7688684686379423
Energy: 1.3549787642676148
Energy: 1.7316755523994285
Energy: 2.6704673677160016
Energy: 1.7316755523968967
Energy: 2.41842500075385
Energy: 1.7921024173670959
Energy: 1.7320356778181576
Energy: 1.7921024173664017

minimum gb energy = 1.3105079745330637 eV
minimum distance =  2.61615167206729 Angstroms
sigma value = 5


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

Energy: 1.8999589896162523
Energy: 1.4911848827019099
Energy: 2.309661516594114
Energy: 1.49118488269892
Energy: 2.02195277955169
Energy: 1.426288967615852
Energy: 1.9865565555156397
Energy: 1.426288967615852
Energy: 1.646776817784772
Energy: 1.8706510030389853
Energy: 1.851859382388298
Energy: 1.8706510030389853
Energy: 1.647173191572017
Energy: 1.7904384851071393
Energy: 2.160843903174437
Energy: 1.7904384851061428
Energy: 1.5144373506572997
Energy: 1.8679802886666617
Energy: 1.664839838908023
Energy: 1.8679802886616785
Energy: 2.118273330152896
Energy: 1.995968662286058
Energy: 1.6795374330653394
Energy: 1.9959686622870547
Energy: 2.097395279796414
Energy: 1.8056891293834234
Energy: 1.9227320890678299
Energy: 1.80568912938442
Energy: 2.095150763167057
Energy: 1.808385344789576
Energy: 1.9143111656342007
Energy: 1.8083853447885794
Energy: 2.335124101960391
Energy: 1.6008242484476034
Energy: 1.994686382065909
Energy: 1.6008242484466069
Energy: 2.2373336745807313
Energy: 1.601454452427082
Energy: 1.995226566840644
Energy: 1.6014544524230954
Energy: 1.904766457507704
Energy: 1.8643812455688116
Energy: 2.0922850872670176
Energy: 1.8643812455718014
Energy: 1.9079421407332293
Energy: 1.8664134593044681
Energy: 1.5706529936563158
Energy: 1.8664134593044681
Energy: 2.2934251057011217
Energy: 1.9224068502822804
Energy: 1.5599812167684444
Energy: 1.9224068502822804
Energy: 1.6235657661329137
Energy: 1.862444772614635
Energy: 1.5643017191333397
Energy: 1.862444772598689
Energy: 1.7192502204187123
Energy: 1.529760038634142
Energy: 2.28572944308427
Energy: 1.529760038634142
Energy: 2.229037511714569
Energy: 1.6230794033684695
Energy: 1.987199902768273
Energy: 1.6230794033664762
Energy: 2.236720210306376
Energy: 1.6056594769322612
Energy: 2.0482433400919606
Energy: 1.6056594769312644
Energy: 1.7495288798583015
Energy: 1.811226363071226
Energy: 1.9152501340936383
Energy: 1.8112263630692327
Energy: 2.1079703896988575
Energy: 1.7037652585681782
Energy: 1.5909643098636927
Energy: 1.7037652585681782
Energy: 1.7517544034625068
Energy: 1.8845528119106216
Energy: 1.6864533197665743
Energy: 1.8845528119106216
Energy: 1.759366157488956
Energy: 1.7944587696218186
Energy: 2.022165673460405
Energy: 1.7944587696218186
Energy: 1.8380610570306772
Energy: 1.871836799305118
Energy: 1.8502223025507494
Energy: 1.871836799305118
Energy: 1.6424773692502956
Energy: 1.8746648371441177
Energy: 1.8531101557404146
Energy: 1.874664837146111
Energy: 2.129918775133361
Energy: 1.4548455661875415
Energy: 2.380442058972243
Energy: 1.4548455661995008
Energy: 2.1350864916753287
Energy: 1.4564626884089977
Energy: 2.5251878892300157
Energy: 1.4564626884089977
Energy: 2.163182984837131
Energy: 1.8634024441653552
Energy: 1.8549959168554813
Energy: 1.8634024441663517
Energy: 1.648471361099259
Energy: 1.872894540869908
Energy: 1.855279079306451
Energy: 1.8728945408728976
Energy: 1.7482662134616482
Energy: 1.7893219098181266
Energy: 2.3840880736848242
Energy: 1.7893219098181266
Energy: 1.7592304826755678
Energy: 1.8703427859554953
Energy: 1.6910775584079991
Energy: 1.8703427859554953
Energy: 2.1004886094970137
Energy: 2.1150845948610644
Energy: 1.852543212062518
Energy: 2.1150845948590713
Energy: 2.0828072086700975
Energy: 1.8050797402127081
Energy: 1.9192860340676394
Energy: 1.805079740210715
Energy: 1.7953938567973893
Energy: 1.543633280581242
Energy: 2.0000216248184315
Energy: 1.5436332805802455
Energy: 2.5101325983288953
Energy: 1.6038806408042396
Energy: 1.9943086031565433
Energy: 1.6038806408032429

minimum gb energy = 1.426288967615852 eV
minimum distance =  2.57105784747768 Angstroms
sigma value = 1


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

Energy: 1.8252037535957821
Energy: 1.7041758936478753
Energy: 2.081826066045201
Energy: 1.704175893646497
Energy: 1.3870275681367643
Energy: 1.4002651471471177
Energy: 1.799809346560933
Energy: 1.4002651471484955
Energy: 1.8942815346157222
Energy: 2.0235960158889066
Energy: 2.0278122268774945
Energy: 2.023596015890284
Energy: 1.7931291872868849
Energy: 2.0414426490619513
Energy: 2.0831344757154904
Energy: 2.0414426490619513
Energy: 1.3530457276927137
Energy: 1.675646035944977
Energy: 1.3501359527710954
Energy: 1.6756460359477325
Energy: 1.3456920308953924
Energy: 1.3513013939747731
Energy: 1.3427752375024649
Energy: 1.3513013939775287
Energy: 2.087379110516595
Energy: 2.0424345977311367
Energy: 1.8858467921874051
Energy: 2.0424345977325147
Energy: 2.0783889686306107
Energy: 2.0464422190698848
Energy: 1.89293797200242
Energy: 2.0464422190698848
Energy: 2.5224094374527466
Energy: 1.7210986886311301
Energy: 1.7630678134564788
Energy: 1.7210986886311301
Energy: 2.522409437454124
Energy: 1.6894339960343747
Energy: 1.7631695535498284
Energy: 1.6894339960343747
Energy: 2.077869504753742
Energy: 2.0468997786624983
Energy: 1.8929379719982862
Energy: 2.0468997786611203
Energy: 2.088870201314705
Energy: 2.042647081422168
Energy: 1.8858467921874051
Energy: 2.042647081422168
Energy: 1.3460050077354362
Energy: 1.3517621621778075
Energy: 1.3143999643593454
Energy: 1.3517621621764293
Energy: 1.3530327681190175
Energy: 1.6994752558158566
Energy: 1.3621952119871323
Energy: 1.6994752558158566
Energy: 1.7936607440306014
Energy: 2.026455641307022
Energy: 2.0834218483627747
Energy: 2.026455641307022
Energy: 1.894281534618478
Energy: 2.023689222743933
Energy: 2.0656410850250664
Energy: 2.023689222741177
Energy: 1.3608223116720874
Energy: 1.3907141330705253
Energy: 1.799604250010228
Energy: 1.3907141330691475
Energy: 1.8252037535834116
Energy: 1.704175893646497
Energy: 2.081826066282118
Energy: 1.704175893646497
Energy: 1.387027568150544
Energy: 1.4002651471553853
Energy: 1.799809346560933
Energy: 1.4002651471498735
Energy: 1.8942815346157222
Energy: 2.023596015890284
Energy: 2.027812226891274
Energy: 2.02359601589304
Energy: 1.7931291872909874
Energy: 2.0414426490605733
Energy: 2.0831344757154904
Energy: 2.0414426490605733
Energy: 1.353045727689958
Energy: 1.675646035944977
Energy: 1.3501359527697174
Energy: 1.6756460359477325
Energy: 1.3456920309009042
Energy: 1.3513013939775287
Energy: 1.3427752375010868
Energy: 1.3513013939747731
Energy: 2.087379110516595
Energy: 2.0424345977311367
Energy: 1.8858467921874051
Energy: 2.0424345977311367

minimum gb energy = 1.3143999643593454 eV
minimum distance =  2.5700581725634 Angstroms
sigma value = 17


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

Energy: 1.9221439389982011
Energy: 1.4293387581047252
Energy: 2.3471616481170607
Energy: 1.4293387581055768
Energy: 1.7159982851817457
Energy: 1.4427314822546151
Energy: 1.8895141720912123
Energy: 1.4427314822554667
Energy: 1.4910608830482293
Energy: 1.8628419609456934
Energy: 1.77528766065809
Energy: 1.862841960947397
Energy: 1.5899813454524407
Energy: 1.6338479142549145
Energy: 2.224963022190048
Energy: 1.6338479142523594
Energy: 1.7953875194771325
Energy: 1.8507446608169824
Energy: 1.79437739158218
Energy: 1.8507446608144271
Energy: 1.9804439569205088
Energy: 1.804558786178831
Energy: 1.7911005720161914
Energy: 1.8045587861805343
Energy: 1.8518877275001135
Energy: 1.9740480735903632
Energy: 1.4104877732190548
Energy: 1.9740480735937698
Energy: 1.8472084668462287
Energy: 1.9676248171832076
Energy: 1.6606243564466532
Energy: 1.967624817181504
Energy: 2.1039008185658354
Energy: 1.5275407510781194
Energy: 2.013232302836395
Energy: 1.5275407510772678
Energy: 1.861598553501998
Energy: 1.533116836402379
Energy: 2.0127586918543834
Energy: 1.5331168364015275
Energy: 1.896105486830788
Energy: 1.633340663531697
Energy: 1.663772437135399
Energy: 1.6333406635342518
Energy: 1.9001068844329811
Energy: 1.63345150200253
Energy: 1.6925443744068216
Energy: 1.6334515019999747
Energy: 1.8703535329044827
Energy: 1.9802311409958726
Energy: 1.9607263095006746
Energy: 1.9802311409967244
Energy: 1.5965435421419187
Energy: 1.8511028401281018
Energy: 1.9628459706365844
Energy: 1.8511028401306568
Energy: 1.5874416174111319
Energy: 2.0196302288484937
Energy: 1.9144900168378491
Energy: 2.019630228850197
Energy: 1.5842576184666086
Energy: 1.9741555517612621
Energy: 1.6756227604959892
Energy: 1.9741555517629654
Energy: 2.1394435740186353
Energy: 1.5426322313980738
Energy: 1.5840083516181676
Energy: 1.5426322313997771
Energy: 1.905539629729773
Energy: 1.746349973405115
Energy: 1.8285650001144123
Energy: 1.7463499734059666
Energy: 1.7947304010503424
Energy: 1.319560119487176
Energy: 1.6905299695759954
Energy: 1.319560119487176
Energy: 2.157732490770685
Energy: 1.5451303708396276
Energy: 1.7899255927755262
Energy: 1.545130370836221
Energy: 1.6637926805004175
Energy: 1.7698866021440698
Energy: 1.9576835696384371
Energy: 1.7698866021432182
Energy: 1.8425989702856076
Energy: 1.8527939877868838
Energy: 1.4042502928680143
Energy: 1.852793987783477
Energy: 2.0415756980599378
Energy: 1.809189621556025
Energy: 1.8698298513448177
Energy: 1.809189621556025
Energy: 1.77760509914515
Energy: 1.9745725083968406
Energy: 1.566730354226204
Energy: 1.9745725083942858
Energy: 1.7651249400856504
Energy: 2.0151771764283426
Energy: 2.044961677319188
Energy: 2.015177176430898
Energy: 1.486909995444662
Energy: 1.8533338656845242
Energy: 1.7610784270826187
Energy: 1.8533338656845242
Energy: 1.7093626159138595
Energy: 1.8442110634987914
Energy: 1.9832672916725314
Energy: 1.8442110634979394
Energy: 1.9037214957196948
Energy: 1.3120525027629046
Energy: 2.272610947940569
Energy: 1.3120525027663115
Energy: 1.900490959985545
Energy: 1.3120360918794185
Energy: 2.0403812774368517
Energy: 1.3120360918802698
Energy: 1.4857112025299868
Energy: 1.8523024172505151
Energy: 1.7584430673794793
Energy: 1.8523024172488118
Energy: 1.4881800236526352
Energy: 1.85010255484574
Energy: 1.9856628403616188
Energy: 1.8501025548448884
Energy: 1.7736118247800108
Energy: 2.025745364356761
Energy: 1.7876698163721645
Energy: 2.0257453643610193
Energy: 1.7661520341122565
Energy: 1.9738535354317965
Energy: 1.5652269293188164
Energy: 1.973853535430093
Energy: 2.0954306860674334
Energy: 1.9745158583197375
Energy: 1.4023484636407653
Energy: 1.9745158583197375
Energy: 1.8570732198979205
Energy: 1.8512269384785962
Energy: 1.6761724529289896
Energy: 1.8512269384837068
Energy: 1.7616312696799796
Energy: 1.427799583940973
Energy: 2.0105239067077623
Energy: 1.4277995839384179
Energy: 2.4274091129087987
Energy: 1.53535168649794
Energy: 1.8040111217955346
Energy: 1.5353516864996437
Energy: 1.7883831985684582
Energy: 1.317574997789908
Energy: 1.7960840778123472
Energy: 1.317574997789908

minimum gb energy = 1.3120360918794185 eV
minimum distance =  2.57822691648513 Angstroms
sigma value = 89


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

Energy: 1.7169833772871987
Energy: 1.4893212703982732
Energy: 1.694835814715587
Energy: 1.4893212704020464
Energy: 1.4423773207039619
Energy: 1.6857240475266109
Energy: 1.6530878314171173
Energy: 1.685724047529954
Energy: 1.708262627912116
Energy: 1.496939790518389
Energy: 1.4838762152678713
Energy: 1.4969397905172748
Energy: 1.747510712776243
Energy: 1.7109731128167522
Energy: 2.080891126073521
Energy: 1.7109731128183223
Energy: 1.7072677207146054
Energy: 1.739440391898307
Energy: 1.477251443587352
Energy: 1.7394403918949646
Energy: 1.7275503892113744
Energy: 2.1414653114010247
Energy: 1.4793588347165296
Energy: 2.1414653114001383
Energy: 1.731076410313477
Energy: 1.4401286873477572
Energy: 1.4884086251223076
Energy: 1.4401286864912863
Energy: 1.7395277239056874
Energy: 1.6680071302522326
Energy: 2.1435551713803402
Energy: 1.66800675566452
Energy: 1.7004242768355327
Energy: 1.7337025396178618
Energy: 1.4921148935900832
Energy: 1.733702539617406
Energy: 1.7284803275209855
Energy: 1.71989293682169
Energy: 1.4910961453956246
Energy: 1.7198929368223483
Energy: 1.6052951001269222
Energy: 1.4779927608372125
Energy: 2.1418127409937
Energy: 1.4779927608349843
Energy: 1.5885673983656374
Energy: 1.5131004278375737
Energy: 2.1408557798322394
Energy: 1.5131004278391185
Energy: 1.7092317135889992
Energy: 1.7205421798152505
Energy: 1.481907677463971
Energy: 1.720542179817681
Energy: 1.6977555335107402
Energy: 1.707738408029348
Energy: 1.4983847397928232
Energy: 1.707738408032235
Energy: 1.732083910614037
Energy: 1.6912962332906714
Energy: 2.1405177404341122
Energy: 1.6912962243671241

minimum gb energy = 1.4401286864912863 eV
minimum distance =  2.56738345905477 Angstroms
sigma value = 13


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

Energy: 1.4759446596379169
Energy: 1.4285813710082227
Energy: 1.5216336202684653
Energy: 1.4285813710091568
Energy: 1.3649832100775958
Energy: 1.430349292926435
Energy: 1.4931636139838937
Energy: 1.430349292926435
Energy: 1.4086805657434935
Energy: 1.562536620506894
Energy: 1.6427675229847207
Energy: 1.5625366204714006
Energy: 1.6860133835701048
Energy: 1.6172299996631658
Energy: 1.621204315428473
Energy: 1.6172299996640997
Energy: 1.4419092569492498
Energy: 1.8389787349970395
Energy: 1.3408518668412772
Energy: 1.8389787349970395
Energy: 1.887536154458666
Energy: 1.8175781859673752
Energy: 1.6743785709648997
Energy: 1.817578185966441
Energy: 1.649721732880952
Energy: 1.5748325341997524
Energy: 1.5842434947694668
Energy: 1.5748325341988183
Energy: 1.6029186081470883
Energy: 1.6002343871209497
Energy: 1.549320545359242
Energy: 1.6002343871228177
Energy: 1.360167976497001
Energy: 1.8422015094595616
Energy: 1.4390791728729926
Energy: 1.8422015094595616
Energy: 1.8574305008887624
Energy: 1.8384835439208689
Energy: 1.7926547658859122
Energy: 1.8384835439199347
Energy: 1.624155924478463
Energy: 1.5732009786991352
Energy: 1.4081830682832681
Energy: 1.5732009786991352
Energy: 1.623365662907543
Energy: 1.5588305756026828
Energy: 1.5486875469459749
Energy: 1.558830575603617
Energy: 1.7546079482063832
Energy: 1.4306916837309658
Energy: 1.4052842413525675
Energy: 1.4306916837300319
Energy: 1.4880982158775151
Energy: 1.4280374066207266
Energy: 1.3298887933555945
Energy: 1.4280374066207266
Energy: 1.6234150316168539
Energy: 1.571655146969647
Energy: 1.4069648275690405
Energy: 1.5716551469687128
Energy: 1.621372155899423
Energy: 1.5653278098032162
Energy: 1.4040058735681251
Energy: 1.5653278098032162
Energy: 1.7547668127108864
Energy: 1.842613367688311
Energy: 1.4338327895332421
Energy: 1.842613367688311
Energy: 1.336506351971447
Energy: 1.8451756733243947
Energy: 1.8897899197018004
Energy: 1.8451756733243947
Energy: 1.645951866092535
Energy: 1.5673765314993304
Energy: 1.6119436125695776
Energy: 1.5673765315011983
Energy: 1.6125167854714515
Energy: 1.5676054372770902
Energy: 1.6459363330490977
Energy: 1.5676054372826944
Energy: 1.8898794453299794
Energy: 1.8451167233990082
Energy: 1.3365469051146155
Energy: 1.8451167233980743
Energy: 1.4335644547989443
Energy: 1.8425550353989224
Energy: 1.7547668127062162
Energy: 1.8425550353979883
Energy: 1.4040058735793335
Energy: 1.5654900203229583
Energy: 1.62098081682623
Energy: 1.5654900203229583
Energy: 1.4069648275746447
Energy: 1.5714622581474438
Energy: 1.6237579550388233
Energy: 1.5714622581455757
Energy: 1.3295594822991432
Energy: 1.4271387981561579
Energy: 1.4869176684356986
Energy: 1.4271387981561579
Energy: 1.405198692731102
Energy: 1.4306036581187753
Energy: 1.7546079482119874
Energy: 1.4306036581187753
Energy: 1.5492126394684196
Energy: 1.5589564848681439
Energy: 1.623442906191063
Energy: 1.5589564848681439
Energy: 1.4081830682842018
Energy: 1.573350278241021
Energy: 1.624746904891904
Energy: 1.573350278241021
Energy: 1.7934314293655444
Energy: 1.8385293093885147
Energy: 1.8563817075642144
Energy: 1.8385293093922508
Energy: 1.438932703014038
Energy: 1.841142728796335
Energy: 1.3602509510420415
Energy: 1.8411427287972686
Energy: 1.5473473304782677
Energy: 1.6002960349726114
Energy: 1.5975395282669018
Energy: 1.6002960349716773
Energy: 1.5855182110866488
Energy: 1.5591943685888183
Energy: 1.6482754522745997
Energy: 1.5591943685860157
Energy: 1.6756421930175913
Energy: 1.8180923585823763
Energy: 1.8875267251329129
Energy: 1.8180923585814421
Energy: 1.3421618197679217
Energy: 1.8380947987850282
Energy: 1.4414695431184812
Energy: 1.8380947987850282
Energy: 1.6214020977183634
Energy: 1.6175917751153706
Energy: 1.6857429001678845
Energy: 1.6175917751163045

minimum gb energy = 1.3295594822991432 eV
minimum distance =  2.570991065358 Angstroms
sigma value = 37


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

Energy: 0.8289293305845754
Energy: 0.982681749889905
Energy: 1.8787078930737264
Energy: 0.982681749917187
Energy: 1.0964004408992962
Energy: 1.328839340945905
Energy: 1.3711826226494146
Energy: 1.3288393410149684
Energy: 1.6386905733381276
Energy: 1.4264507556241677
Energy: 1.2690371108830065
Energy: 1.4264507556241677
Energy: 1.5848002917709956
Energy: 1.4989053089305815
Energy: 1.5616819652431044
Energy: 1.4989053089321884
Energy: 1.385409124303753
Energy: 1.4008971848815133
Energy: 1.8384643986536677
Energy: 1.4008971848831204
Energy: 1.7276158084865432
Energy: 1.710313978686848
Energy: 1.6645203514331437
Energy: 1.710313978688455
Energy: 1.4795298328698872
Energy: 1.4334276398146537
Energy: 1.4554085168779787
Energy: 1.4334276398130468
Energy: 1.4771854758038183
Energy: 1.9334011194547178
Energy: 1.6387644973570008
Energy: 1.933401119456325
Energy: 1.4653274292600653
Energy: 1.356712285178218
Energy: 1.6436036325830228
Energy: 1.3567078873217406
Energy: 1.7192060896344208
Energy: 1.7119325500202627
Energy: 1.6420965094753717
Energy: 1.7119325500218694
Energy: 1.3784874789254722
Energy: 1.3597539195357644
Energy: 1.5368527297376875
Energy: 1.3597539576363968
Energy: 1.4356196437286184
Energy: 1.697972999818254
Energy: 1.6291258583506323
Energy: 1.697972999816647
Energy: 1.631537506407969
Energy: 1.4126335913576573
Energy: 1.5128255170958211
Energy: 1.4126335913576573
Energy: 1.1071833843573506
Energy: 1.4086982318230947
Energy: 1.2968836380469537
Energy: 1.4086982318230947
Energy: 0.7745954148528118
Energy: 1.002624209409137
Energy: 1.842047201741415
Energy: 1.0026242095777969
Energy: 0.8137498482580607
Energy: 1.1597384083838909
Energy: 1.423914146509267
Energy: 1.1597384083838909
Energy: 1.6311656762193327
Energy: 1.393890584643774
Energy: 1.5080872852138585
Energy: 1.3938905846453808
Energy: 1.5723743230150766
Energy: 1.3941263033054416
Energy: 1.5088675433621177
Energy: 1.3941263033054416
Energy: 1.3805012876205671
Energy: 1.386551177172145
Energy: 1.8411563258476744
Energy: 1.3865511771079024
Energy: 1.3968836579377484
Energy: 1.6959639742058545
Energy: 1.8364837686326008
Energy: 1.6959639742058545

minimum gb energy = 0.7745954148528118 eV
minimum distance =  2.56393410810644 Angstroms
sigma value = 25


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

Energy: 0.6968470473529156
Energy: 1.0690766698700052
Energy: 1.5924977655460282
Energy: 1.0690766698687502
Energy: 1.0229292954948423
Energy: 1.1615230089776643
Energy: 1.2169198129806253
Energy: 1.1615230089776643
Energy: 1.2980272128360684
Energy: 1.0999985593033499
Energy: 0.9324914810030972
Energy: 1.0999985593196626
Energy: 1.333855251416631
Energy: 1.2977382630152718
Energy: 1.2733900372981333
Energy: 1.2977382630152718
Energy: 1.0516901823162985
Energy: 1.365908850065415
Energy: 1.4760885831294437
Energy: 1.36590885006667
Energy: 1.3301391807782739
Energy: 1.4476760009412952
Energy: 1.4927853377442224
Energy: 1.4476760009387855
Energy: 1.2182456964669368
Energy: 1.3563332718004086
Energy: 1.2927146268202354
Energy: 1.3563332718004086
Energy: 1.6137535707694137
Energy: 1.5069086864037866
Energy: 1.5241324300065804
Energy: 1.506908686406296
Energy: 1.2189316395563203
Energy: 1.372611806966343
Energy: 1.3826998206117616
Energy: 1.372611806966343
Energy: 1.513343912628909
Energy: 1.6780724147819213
Energy: 1.3818244278981549
Energy: 1.6780724147831763
Energy: 1.1846478967462124
Energy: 1.3701141459583395
Energy: 1.4693358286285376
Energy: 1.3701141459583395
Energy: 1.507614891905181
Energy: 1.506790047958022
Energy: 1.5204829872436838
Energy: 1.5067900479567673
Energy: 1.2418410838406784
Energy: 1.365084410806701
Energy: 1.2906910909539264
Energy: 1.3650844108092106
Energy: 1.4614945642878192
Energy: 1.5694916881730214
Energy: 1.4384312200808238
Energy: 1.5694916881717667
Energy: 1.1075100794037351
Energy: 1.3682140771319353
Energy: 1.4691092501478549
Energy: 1.36821407713319
Energy: 1.3108944107776028
Energy: 1.353138265127145
Energy: 1.1888260930232126
Energy: 1.353138265127145
Energy: 1.29980058035758
Energy: 1.0883618708158227
Energy: 0.9873598126081072
Energy: 1.0883618708070388
Energy: 0.9698596171938572
Energy: 1.0650319607368908
Energy: 1.0041231190515034
Energy: 1.0650319607368908
Energy: 0.78428827985365
Energy: 1.0128805624071135
Energy: 1.4775315790692958
Energy: 1.0128805624058588
Energy: 1.0232822558887058
Energy: 1.0229767963251315
Energy: 1.2210200930982893
Energy: 1.0229767963251315
Energy: 1.3007798425426418
Energy: 1.0829903528210376
Energy: 0.9967470136318954
Energy: 1.0829903528222926
Energy: 1.3303307488052092
Energy: 1.2922047424064746
Energy: 1.0062260821756643
Energy: 1.2922047424052197
Energy: 1.1116018521089541
Energy: 1.3589705417617792
Energy: 1.4785597507345218
Energy: 1.3589705417655438
Energy: 1.3671659620006562
Energy: 1.349765077244781
Energy: 1.4869749451572896
Energy: 1.3497650772422711
Energy: 1.2179216062548635
Energy: 1.356704971640622
Energy: 1.2930254696672918
Energy: 1.356704971641877
Energy: 1.5926660362218665
Energy: 1.492732447422924
Energy: 1.3486135829303818
Energy: 1.492732447421669

minimum gb energy = 0.6968470473529156 eV
minimum distance =  2.5672529776448 Angstroms
sigma value = 41


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

Energy: 0.6935114314886789
Energy: 0.9037255588810158
Energy: 1.128521943239754
Energy: 0.903725561070272
Energy: 0.9349812173128939
Energy: 1.0709719120974397
Energy: 1.0553758359821908
Energy: 1.0709719120984684
Energy: 1.1077119443169678
Energy: 1.072513020785587
Energy: 0.8007539227526443
Energy: 1.0725130207825007
Energy: 1.1831050757296988
Energy: 1.1963751173866917
Energy: 1.057688293232286
Energy: 1.1963751173877202
Energy: 0.9438869751653381
Energy: 1.1050602021262204
Energy: 1.2271924786421469
Energy: 1.1050602021262204
Energy: 1.1461893720505805
Energy: 1.3107949080585588
Energy: 1.2951915827708285
Energy: 1.3107949080595873
Energy: 1.3523826483007906
Energy: 1.2815110370440215
Energy: 1.0168223653198831
Energy: 1.2815110370471077
Energy: 1.3337246559175948
Energy: 1.418611684546669
Energy: 1.281832277727323
Energy: 1.4186116845487264
Energy: 1.1520625467245726
Energy: 1.2823862657150131
Energy: 1.1940320714999388
Energy: 1.2823862657150131
Energy: 1.3591980145259666
Energy: 1.5437333899844292
Energy: 1.420699303248823
Energy: 1.5437333899854577
Energy: 1.3255246802514147
Energy: 1.2853742949478932
Energy: 1.147219982247669
Energy: 1.2853742949478932
Energy: 1.3922789877057173
Energy: 1.5473998993153038
Energy: 1.3939953535350282
Energy: 1.5473998993163325
Energy: 1.314609055465773
Energy: 1.286798107596606
Energy: 1.1945747984270592
Energy: 1.2867981075945485
Energy: 1.3515521103429353
Energy: 1.4159395004284565
Energy: 1.4207973673145897
Energy: 1.4159395004284565
Energy: 1.3251782192001098
Energy: 1.2730960944168612
Energy: 1.2508219484595804
Energy: 1.2730960944178902
Energy: 1.2920325814875244
Energy: 1.4176912863978088
Energy: 1.3707051122379368
Energy: 1.4176912863978088
Energy: 1.3639891628638907
Energy: 1.2604123909733642
Energy: 1.1569108232488838
Energy: 1.2604123909671918
Energy: 1.1506065546632502
Energy: 1.249863400905462
Energy: 1.2135998407950346
Energy: 1.2498634009064906
Energy: 1.0320217295284542
Energy: 1.1012358912152433
Energy: 1.2588685497846313
Energy: 1.1012358912173008
Energy: 1.0701766531014698
Energy: 1.05826913931924
Energy: 1.2006771968638028
Energy: 1.0582691393212975
Energy: 1.1019067120260928
Energy: 1.0696752076298257
Energy: 0.8522901853843035
Energy: 1.0696752076298257
Energy: 0.9387619138363802
Energy: 0.9123028865597301
Energy: 1.05074282554276
Energy: 0.9123028865587012
Energy: 0.763064429576892
Energy: 0.9295315534455613
Energy: 1.24202324732609
Energy: 0.9295315534270904
Energy: 0.938868097111652
Energy: 0.9250866121705607
Energy: 1.080376954154479
Energy: 0.9250866121602728
Energy: 1.107539142073154
Energy: 1.0689854838313246
Energy: 0.8744877927183049
Energy: 1.0689854838302961
Energy: 1.1815636075195315
Energy: 1.0458232188710272
Energy: 1.0570785225388344
Energy: 1.0458232188710272
Energy: 1.0315976754236398
Energy: 1.100391294755653
Energy: 1.2411152534693382
Energy: 1.1003912947546242
Energy: 1.0772692971078834
Energy: 1.2170173405482816
Energy: 1.3144588367202277
Energy: 1.2170173405482816
Energy: 1.3538880623372835
Energy: 1.2696841857906291
Energy: 1.1581068366302414
Energy: 1.269684185788572
Energy: 1.4038288406360624
Energy: 1.255615903134531
Energy: 1.2035619090462437
Energy: 1.2556159031355598
Energy: 1.3276128498544288
Energy: 1.2703610512850034
Energy: 1.2710981513838164
Energy: 1.2703610512860322
Energy: 1.3027463314791266
Energy: 1.4229783801109548
Energy: 1.5481273721659656
Energy: 1.422978380113012

minimum gb energy = 0.6935114314886789 eV
minimum distance =  2.57977289440902 Angstroms
sigma value = 15


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

Energy: 0.7153253202323334
Energy: 0.899477224950663
Energy: 1.0007309209351007
Energy: 0.8994772249515346
Energy: 0.9030136876698085
Energy: 0.9678798373972208
Energy: 0.961816694761377
Energy: 0.9678798373963492
Energy: 0.9611093610947186
Energy: 0.9617384867434787
Energy: 0.8358625397918582
Energy: 0.9617384867426071
Energy: 1.0413925070777021
Energy: 1.047515175315696
Energy: 0.9605972923114338
Energy: 1.0475151753139529
Energy: 0.876674129034901
Energy: 1.0451266125564538
Energy: 1.0759388148309834
Energy: 1.045126612554711
Energy: 1.0579782949146925
Energy: 1.1367314663900845
Energy: 1.1511068546816685
Energy: 1.1367314663900845
Energy: 1.18763334797093
Energy: 1.0741862306589534
Energy: 0.8924628452090009
Energy: 1.0741862306606962
Energy: 1.1756176188084162
Energy: 1.2145464621707387
Energy: 1.160970688701237
Energy: 1.2145464621750963
Energy: 0.9940006501371502
Energy: 1.2083038343589596
Energy: 1.1233488993565959
Energy: 1.2083038343598311
Energy: 1.1713205689187685
Energy: 1.2659962082275273
Energy: 1.2675238788974952
Energy: 1.2659962082240412
Energy: 1.2326221669834845
Energy: 1.2109472727633248
Energy: 0.9890679335331561
Energy: 1.2109472727650679
Energy: 1.2662039133269158
Energy: 1.3708389490973836
Energy: 1.2571975862800333
Energy: 1.3708389490999984
Energy: 1.0393045998225876
Energy: 1.1930514401280066
Energy: 1.0744213317152025
Energy: 1.1930514401288783
Energy: 1.2652630852338345
Energy: 1.3913582917976204
Energy: 1.2588569206916849
Energy: 1.3913582917941343
Energy: 1.1790275115575444
Energy: 1.2081518703529426
Energy: 1.0363301105693414
Energy: 1.2081518703529426
Energy: 1.2677273962681739
Energy: 1.3916360418800895
Energy: 1.2649106167497546
Energy: 1.391636041875732
Energy: 1.1762053869181002
Energy: 1.2065642907905287
Energy: 1.0620202401083303
Energy: 1.2065642907861716
Energy: 1.240903672133423
Energy: 1.2962031832116532
Energy: 1.1781314332419286
Energy: 1.2962031832151393
Energy: 1.0635183057180329
Energy: 1.2080057015814851
Energy: 1.1271583135378729
Energy: 1.2080057015806136
Energy: 1.1799429133369963
Energy: 1.267698334882218
Energy: 1.1625948791661518
Energy: 1.267698334880475
Energy: 1.194883230143553
Energy: 1.0750785828039526
Energy: 0.9438377278495182
Energy: 1.075078582803081
Energy: 1.1103494349965124
Energy: 1.0866375510155184
Energy: 1.0465746157532696
Energy: 1.0866375510146469
Energy: 0.934323681905354
Energy: 1.0455068962196308
Energy: 1.0864600526784511
Energy: 1.0455068962187595
Energy: 1.0391946836718788
Energy: 0.9769022243650722
Energy: 0.9655004836316187
Energy: 0.9769022243650722
Energy: 0.9562527733542066
Energy: 0.9589099940742157
Energy: 0.8239616550189188
Energy: 0.9589099940742157
Energy: 0.8563898227625268
Energy: 0.8610455348839706
Energy: 0.9482972374299814
Energy: 0.861045534881356
Energy: 0.7765493352315235
Energy: 0.9023867072416013
Energy: 1.0779807017342637
Energy: 0.9023867072398583
Energy: 0.8596444384017997
Energy: 0.8754392244550566
Energy: 0.9631581797044135
Energy: 0.8754392244550566
Energy: 0.9656693486393875
Energy: 0.9594014844922498
Energy: 0.8219295934305573
Energy: 0.9594014844931212
Energy: 1.0678910900323835
Energy: 0.9769217833048653
Energy: 0.9450936495791836
Energy: 0.9769217833022508
Energy: 0.9265757958438924
Energy: 1.0456857585756143
Energy: 1.0805158292483708
Energy: 1.0456857585747428
Energy: 1.055111452764717
Energy: 1.1009352253344051
Energy: 1.1514960494734403
Energy: 1.1009352253352769
Energy: 1.1846814627163276
Energy: 1.0749377410650636
Energy: 0.9429150542546543
Energy: 1.074937741064192
Energy: 1.249707723894334
Energy: 1.1546389837654958
Energy: 1.0546381767005149
Energy: 1.1546389837681104
Energy: 1.0633743287915156
Energy: 1.2053684180826152
Energy: 1.210319354797145
Energy: 1.2053684180826152
Energy: 1.1711890537119225
Energy: 1.2765766513354442
Energy: 1.2672465287046888
Energy: 1.2765766513310866
Energy: 1.224730899254902
Energy: 1.206697586815419
Energy: 1.061043207968767
Energy: 1.2066975868128043

minimum gb energy = 0.7153253202323334 eV
minimum distance =  2.58129231669849 Angstroms
sigma value = 85


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

Energy: 0.770500854432412
Energy: 0.8204828575065031
Energy: 0.9553285866036856
Energy: 0.8204828575080148
Energy: 0.685713103997642
Energy: 0.8404245320177275
Energy: 0.7567997419028345
Energy: 0.8404245320177275
Energy: 0.8727487470947117
Energy: 0.8163904397155474
Energy: 0.7811521982322027
Energy: 0.8163904397163032
Energy: 0.7916096767626977
Energy: 0.8675777591617285
Energy: 0.7594062680369257
Energy: 0.8675777591632059
Energy: 0.7711358033653765
Energy: 0.8365996600559082
Energy: 0.9731816834137813
Energy: 0.8365996600551524
Energy: 0.7833345125043557
Energy: 0.8548619686745984
Energy: 0.825333864656398
Energy: 0.8548619686745984
Energy: 1.0677469773787185
Energy: 0.8388375334558367
Energy: 0.7606191074214954
Energy: 0.8388375334543249
Energy: 0.9161478816316031
Energy: 0.9388092267249202
Energy: 0.8207678010773822
Energy: 0.9388092267226525
Energy: 0.7632859710784582
Energy: 0.9061533069713346
Energy: 1.0995255794378813
Energy: 0.9061533069713346
Energy: 0.9044084823111905
Energy: 1.000379827496005
Energy: 0.9044032704531914
Energy: 1.0003798274824338
Energy: 0.9670210126047859
Energy: 0.8965062216108464
Energy: 0.7968135749798028
Energy: 0.8965062216108464
Energy: 1.0542590053155503
Energy: 1.092604004545848
Energy: 0.9012785443620176
Energy: 1.092604004545848
Energy: 0.807024360613552
Energy: 0.9137430883575122
Energy: 1.0953474315267593
Energy: 0.9137430883590238
Energy: 0.9862158330833457
Energy: 1.2599123245341737
Energy: 1.0526872618501673
Energy: 1.2599123245341737
Energy: 0.9006230147707219
Energy: 0.9146723440900423
Energy: 0.9384340468084603
Energy: 0.9146723440900423
Energy: 1.0460322296936162
Energy: 1.2717936777519334
Energy: 0.9958953220497321
Energy: 1.2717936777534453
Energy: 0.8045667453024896
Energy: 0.8908138782635924
Energy: 0.9343199081976822
Energy: 0.8908138779054522
Energy: 0.9824467615371526
Energy: 1.2715822245327284
Energy: 1.0536006348108824
Energy: 1.2715822245342399
Energy: 0.804161376802404
Energy: 0.9056207135519801
Energy: 0.9737397957385653
Energy: 0.9056207135512243
Energy: 0.9531200213061197
Energy: 1.1044681352950272
Energy: 0.972152344152216
Energy: 1.1044681352957828
Energy: 0.966616001576043
Energy: 0.9037560300729285
Energy: 0.8062531810189889
Energy: 0.9037560300736842
Energy: 0.910795426544352
Energy: 1.091968243456767
Energy: 0.9243120539942707
Energy: 1.091968243456767
Energy: 0.7426876769455949
Energy: 0.9016002208755336
Energy: 1.1039800128609543
Energy: 0.9016002208740218
Energy: 0.8255529588075452
Energy: 0.9040431658128915
Energy: 0.8539087005637124
Energy: 0.9040431658159148
Energy: 1.0769644206775781
Energy: 0.9094749767140095
Energy: 0.7554939143684799
Energy: 0.9094749767124977
Energy: 0.7983350135939332
Energy: 0.8299923306415378
Energy: 0.8252543407530629
Energy: 0.8299923306528757
Energy: 0.6557785644673912
Energy: 0.89929355518244
Energy: 0.9737713598338398
Energy: 0.89929355518244
Energy: 0.7640587242129654
Energy: 0.8131939043343231
Energy: 0.6752442636276184
Energy: 0.8131939043335673
Energy: 0.8704951689638493
Energy: 0.7613827041241035
Energy: 0.6565627625285892
Energy: 0.7613827041248594
Energy: 0.6857132483058282
Energy: 0.7211171082216447
Energy: 0.7563310771600783
Energy: 0.721117108219377
Energy: 0.5632480713111222
Energy: 0.7057224833325765
Energy: 0.9740959470918228
Energy: 0.7057224824811003
Energy: 0.6910021584101212
Energy: 0.7452079175042025
Energy: 0.6788224911508124
Energy: 0.7452079175049582
Energy: 0.8727318793373475
Energy: 0.7720924752086095
Energy: 0.6582401029370855
Energy: 0.7720924752086095
Energy: 0.8116047534496117
Energy: 0.7935643578956526
Energy: 0.7443744986824435
Energy: 0.7935643578956526
Energy: 0.628058307927527
Energy: 0.8981242961797198
Energy: 0.973037591257455
Energy: 0.8981242961812315
Energy: 0.7773465806981805
Energy: 0.8390031970597085
Energy: 0.9476164109542564
Energy: 0.8390031970597085
Energy: 1.068426716937751
Energy: 0.8982911758604731
Energy: 0.7552197518476159
Energy: 0.8982911758597174
Energy: 0.9152773897951795
Energy: 0.9070939167283499
Energy: 0.8124868296976662
Energy: 0.907093916727594
Energy: 0.7570985245913705
Energy: 0.9078721010486355
Energy: 1.0922186260840705
Energy: 0.9078721010478796
Energy: 0.8396986688417145
Energy: 0.9342554516436995
Energy: 1.0454803376584039
Energy: 0.9342554516444553
Energy: 1.0233273571564838
Energy: 0.9042339248090538
Energy: 0.8062822426136687
Energy: 0.9042339248105656
Energy: 1.0523385434271546
Energy: 1.088953328622748
Energy: 0.9152226646262357
Energy: 1.088953328621992
Energy: 0.8036618267685642
Energy: 0.9216291220132522
Energy: 1.0939129607720768
Energy: 0.9216291220124961

minimum gb energy = 0.5632480713111222 eV
minimum distance =  2.58086990392301 Angstroms
sigma value = 113


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

Energy: 0.018330049697567453
Energy: 0.019212690929762556
Energy: 1.54924532616192
Energy: 0.019212690929762556
Energy: 0.02613299736853056
Energy: 1.1953410553720583
Energy: 0.026132997367400705
Energy: 1.1953410553732202
Energy: 1.554478297117731
Energy: 0.01921269093031134
Energy: 0.018330049698116236
Energy: 0.019212690929762556
Energy: 0.026132997367981775
Energy: 1.1953410553732202
Energy: 0.026132997367400705
Energy: 1.1953410553732202
Energy: 0.018330049698116236
Energy: 0.019212690929762556
Energy: 1.5492126340333643
Energy: 0.019212690929762556
Energy: 0.026132997367981775
Energy: 1.1953410553732202
Energy: 0.026132997367981775
Energy: 1.1953410553732202

minimum gb energy = 0.018330049697567453 eV
minimum distance =  2.71748507712597 Angstroms
sigma value = 1