Model name: model_name=Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.165284737944603
cohesive_energy=3.7494615012842694
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.2746800988992e-21, 1.480420822875804e-20, 4.13912720334096e-20, 8.65058423465718e-20, 1.47774358572039e-19, 2.2142241299543397e-19, 3.03825561635322e-19, 3.92924206428696e-19, 4.71618316160874e-19, 4.842482745666959e-19, 4.99901540280876e-19, 5.14854654805998e-19, 5.287839784619939e-19, 5.4157575670785e-19, 5.53157891595036e-19, 5.634839200011659e-19, 5.72531411453364e-19, 5.8029235506846e-19, 5.8677315955299e-19, 5.91985040143392e-19, 5.959472229592739e-19, 5.986821384735119e-19, 6.00217023688884e-19, 6.00683257089378e-19, 6.000744299684579e-19, 5.98090935295566e-19, 5.94465209572824e-19, 5.88873613120164e-19, 5.80934827898694e-19, 5.701954379209919e-19, 5.56109100954864e-19, 5.38012515873834e-19, 5.15104594360902e-19, 4.864064064926939e-19, 4.50709911087174e-19, 4.0651547081491797e-19, 3.51945334660878e-19, 2.8461546379366197e-19, 2.0147050737223197e-19, 9.8545879315755e-20, -2.93810355496188e-20, -1.8930197583700198e-19, -3.88329163842384e-19, -6.39550460053584e-19, -9.600242390927999e-19, -1.3736405567496058e-18, -1.91545023124602e-18, -2.6390572862257794e-18, -3.62763231293646e-18, -5.026124231456039e-18, -7.095960203154299e-18, -1.0342114259535359e-17, -1.586597068410984e-17, -2.63844845910486e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.010891737726101332
Energy: 0.15380900336150968
Energy: 0.6681844437813884
Energy: 0.011061100421528695
Energy: 0.15380900336011863
Energy: 0.8738565054843989
Energy: 0.011061100421082503
Energy: 0.8738565054839265
Energy: 0.6681844437799973
Energy: 0.011061100423392199
Energy: 0.010891737724710264
Energy: 0.15380900336195588
Energy: 0.011061100421528695
Energy: 0.8738565054839265
Energy: 0.15380900336103726
Energy: 0.8738565054843989

minimum gb energy = 0.010891737724710264 eV
minimum distance =  2.94315308704015 Angstroms
sigma value = 1


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

Energy: 1.2595554397261541
Energy: 1.0941357707097166
Energy: 1.0934965715398486
Energy: 1.0558288930260233
Energy: 1.0590697744349893
Energy: 1.1777920793134171
Energy: 1.0597071934037712
Energy: 1.1777920793157088
Energy: 1.0935014023333742
Energy: 1.0943302246884996
Energy: 1.2717982232323926
Energy: 1.0943302246873536
Energy: 1.064586896851661
Energy: 1.0583529218097314
Energy: 1.0596837797602732
Energy: 1.0583529218051477
Energy: 1.2435034694688238
Energy: 1.0597142964312773
Energy: 1.0581038336797182
Energy: 1.0597142964301314
Energy: 1.1529381461767827
Energy: 1.0587893484929447
Energy: 1.0597122669315269
Energy: 1.0587893484929447
Energy: 1.1067560099145783
Energy: 1.1078954767805695
Energy: 1.1098211769699664
Energy: 1.1078954767822884
Energy: 1.1111510940787566
Energy: 1.1104165909718287
Energy: 1.2144896667389309
Energy: 1.1104165909712558
Energy: 1.1796282869819135
Energy: 1.235122974078733
Energy: 1.18565740251649
Energy: 1.2351229740775873
Energy: 1.2087414190829833
Energy: 1.2358565348481585
Energy: 1.1595377358775951
Energy: 1.2358565348504502
Energy: 1.1525696018311045
Energy: 1.234691703485815
Energy: 1.1585200968455205
Energy: 1.234691703483523
Energy: 1.115874503682519
Energy: 1.2590085480691744
Energy: 1.2140300257223957
Energy: 1.2590085480657367
Energy: 1.1069246040338077
Energy: 1.1083524981986597
Energy: 1.0653890322099968
Energy: 1.1083524981998056
Energy: 1.151830988778528
Energy: 1.127300959484535
Energy: 1.1384643194221118
Energy: 1.1273009594896914
Energy: 1.064979087106815
Energy: 1.058386648248897
Energy: 1.0603054249404926
Energy: 1.058386648248897
Energy: 1.1344629385226974
Energy: 1.0644888478507004
Energy: 1.0587449978976489
Energy: 1.0644888478518464
Energy: 1.0934195952907118
Energy: 1.0941062987190169
Energy: 1.0517797506198792
Energy: 1.0941062987218815
Energy: 1.0598573607028854
Energy: 1.0652430059917621
Energy: 1.063797594930104
Energy: 1.0652430059854596
Energy: 1.0589331398857196
Energy: 1.094389807345922
Energy: 1.0955547266462582
Energy: 1.094389807347042
Energy: 1.1769800430393997
Energy: 1.1782324150742627
Energy: 1.0649585780927378
Energy: 1.1782324150771277
Energy: 1.059273102693224
Energy: 1.0593593900648683
Energy: 1.2424116959542553
Energy: 1.0593593900654414
Energy: 1.0597024383638247
Energy: 1.0589892598312691
Energy: 1.1530748056078133
Energy: 1.0589892598289774
Energy: 1.1103135704316132
Energy: 1.107674809671463
Energy: 1.1067671590682076
Energy: 1.1076748096726088
Energy: 1.213661079691159
Energy: 1.1067056297221363
Energy: 1.1144539095026502
Energy: 1.1067056297198443
Energy: 1.2030592742878674
Energy: 1.2353777234687475
Energy: 1.1792721679001634
Energy: 1.235377723471612
Energy: 1.158443635149954
Energy: 1.2332521926957039
Energy: 1.2076161565435772
Energy: 1.233252192693412
Energy: 1.1580054745549773
Energy: 1.2348648406149134
Energy: 1.152855333441168
Energy: 1.2348648406160592
Energy: 1.2159182754948825
Energy: 1.2392842186307353
Energy: 1.1122850599973355
Energy: 1.2392842186307353
Energy: 1.064830247833552
Energy: 1.1084330076651754
Energy: 1.1076986731487999
Energy: 1.1084330076623108
Energy: 1.1387603949226281
Energy: 1.1234538521140485
Energy: 1.1538104717394058
Energy: 1.1234538521129025
Energy: 1.0587060536282398
Energy: 1.058213746655062
Energy: 1.0647883749071743
Energy: 1.0582137466544892
Energy: 1.058795703251119
Energy: 1.0654748559230678
Energy: 1.1323993788680773
Energy: 1.0654748559236409
Energy: 1.0514079066596564
Energy: 1.0939575750716297
Energy: 1.0936406139450783
Energy: 1.0939575750395438

minimum gb energy = 1.0514079066596564 eV
minimum distance =  2.71275708046975 Angstroms
sigma value = 1


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

Energy: 1.6656752150445828
Energy: 1.143723070501086
Energy: 1.1441551413603694
Energy: 1.0965582744057376
Energy: 1.1038680699308652
Energy: 1.226781338220069
Energy: 1.1050614980610156
Energy: 1.2267813382226822
Energy: 1.1433831996495554
Energy: 1.1443575603988967
Energy: 1.3173589252137496
Energy: 1.1443575604002034
Energy: 1.113676116999408
Energy: 1.1040941181427755
Energy: 1.1045832806001505
Energy: 1.1040941181453887
Energy: 1.1018550616929745
Energy: 1.10464793199303
Energy: 1.1039567054177497
Energy: 1.1046479319943365
Energy: 1.2165496945147711
Energy: 1.103878299721183
Energy: 1.1054411705098028
Energy: 1.103878299719223
Energy: 1.171288591320493
Energy: 1.1694370348453849
Energy: 1.209499633212298
Energy: 1.1694370348453849
Energy: 1.1742528453208894
Energy: 1.1700325824574032
Energy: 1.2778332801208898
Energy: 1.1700325824560966
Energy: 1.17126708980329
Energy: 1.3131794671828823
Energy: 1.2198592470695897
Energy: 1.3131794671809223
Energy: 1.2769502387333254
Energy: 1.3100779697551035
Energy: 1.1716819566768821
Energy: 1.3100779697564102
Energy: 1.114373829601603
Energy: 1.169582275506606
Energy: 1.1717063512975678
Energy: 1.1695822755013798
Energy: 1.1960235968908575
Energy: 1.1992777595558308
Energy: 1.215361356121661
Energy: 1.1992777595564839
Energy: 1.1032601059745573
Energy: 1.1046724711303468
Energy: 1.1120401539517402
Energy: 1.1046724711283868
Energy: 1.1038754299542497
Energy: 1.1138019149854905
Energy: 1.186861395149956
Energy: 1.1138019149854905
Energy: 1.0904016380734718
Energy: 1.1436236239506423
Energy: 1.1449002982979675
Energy: 1.143623623947376
Energy: 1.1144975250709908
Energy: 1.113954606126242
Energy: 1.104776079227011
Energy: 1.113954606124965
Energy: 1.144396782413424
Energy: 1.1446985333666415
Energy: 1.1011539142463227
Energy: 1.1446985333672948
Energy: 1.1440229757176645
Energy: 1.2264058020225954
Energy: 1.237125279918387
Energy: 1.2264058020232487
Energy: 1.1042255572461466
Energy: 1.1049733940039912
Energy: 1.1051905243104436
Energy: 1.1049733940059512
Energy: 1.2167636531819557
Energy: 1.1043404801192258
Energy: 1.105586426394838
Energy: 1.104340480121839
Energy: 1.2052762256008314
Energy: 1.1707915611127944
Energy: 1.1678480221744862
Energy: 1.1707915611134478
Energy: 1.171569168563014
Energy: 1.1692835344964967
Energy: 1.2779904632955508
Energy: 1.1692835345010697
Energy: 1.1702056064319857
Energy: 1.313747514786689
Energy: 1.2402415268466265
Energy: 1.313747514786689
Energy: 1.276674180271834
Energy: 1.3069188187981464
Energy: 1.1718094351257529
Energy: 1.3069188187974932
Energy: 1.1147217367057316
Energy: 1.1692687882302204
Energy: 1.1702062225083665
Energy: 1.1692687882093156
Energy: 1.195975195970535
Energy: 1.198022164116068
Energy: 1.2155560888680894
Energy: 1.1980221641154147
Energy: 1.1045888877983074
Energy: 1.1044163350132128
Energy: 1.1135223495880948
Energy: 1.1044163350125595
Energy: 1.10476537901576
Energy: 1.1152628921133807
Energy: 1.1874379284571341
Energy: 1.1152628921146872
Energy: 1.0894176053249123
Energy: 1.143703337119158
Energy: 1.1441288078748038
Energy: 1.1437033371198115

minimum gb energy = 1.0894176053249123 eV
minimum distance =  2.70685753423923 Angstroms
sigma value = 25


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

Energy: 1.6099511728476135
Energy: 1.2006481452933944
Energy: 1.2033084755694217
Energy: 1.1396037324968884
Energy: 1.2046412904125787
Energy: 1.275301772217973
Energy: 1.1537975130176958
Energy: 1.275301772216454
Energy: 1.2009933542553914
Energy: 1.2027561695758324
Energy: 1.2482136010358005
Energy: 1.2027561695765916
Energy: 1.1694576273461885
Energy: 1.2755536581636107
Energy: 1.1537729034991313
Energy: 1.2755536581636107
Energy: 1.1488152895977175
Energy: 1.1530787582906188
Energy: 1.1543890174487705
Energy: 1.1530787582883406
Energy: 1.2927411083294866
Energy: 1.1541197396708027
Energy: 1.1531754796794664
Energy: 1.1541197396700436
Energy: 1.2299297945953118
Energy: 1.2820656717030625
Energy: 1.2489401621315817
Energy: 1.282065671705341
Energy: 1.2093004529834717
Energy: 1.212639217001121
Energy: 1.3523522712921372
Energy: 1.212639217001121
Energy: 1.2118951178856823
Energy: 1.281660810269947
Energy: 1.1750692314337505
Energy: 1.281660810271466
Energy: 1.2913499241440656
Energy: 1.2939586010779867
Energy: 1.1540606187528097
Energy: 1.293958601077227
Energy: 1.1298299996941255
Energy: 1.1541402344043474
Energy: 1.1535050775364006
Energy: 1.1541402344051068
Energy: 1.2411512535269946
Energy: 1.1687501192931735
Energy: 1.1544904206751785
Energy: 1.168750119292414
Energy: 1.2025594664882866
Energy: 1.2013733818979513
Energy: 1.1282389628530718
Energy: 1.2013733818941543
Energy: 1.1544172705132152
Energy: 1.1700298526548718
Energy: 1.171461758543632
Energy: 1.1700298526525934
Energy: 1.1478033543731003
Energy: 1.2035140845674646
Energy: 1.2028041937688947
Energy: 1.203514084566705
Energy: 1.3040470060474272
Energy: 1.273015367052702
Energy: 1.2042218424448212
Energy: 1.2730153670519424
Energy: 1.154484236194732
Energy: 1.153528756576298
Energy: 1.1488690684477882
Energy: 1.1535287565709818
Energy: 1.153747848272513
Energy: 1.1534631179792976
Energy: 1.2930075824691067
Energy: 1.1534631179800572
Energy: 1.2249935032640102
Energy: 1.27790031243408
Energy: 1.2915065669580734
Energy: 1.27790031243408
Energy: 1.3531419318207745
Energy: 1.2852640924125216
Energy: 1.2132504288036032
Energy: 1.2852640924140404
Energy: 1.1736093488980959
Energy: 1.280675922512274
Energy: 1.2117819672571128
Energy: 1.280675922518349
Energy: 1.267833124068898
Energy: 1.2646567705913871
Energy: 1.2913991457324776
Energy: 1.2646567705921465
Energy: 1.1525503039690652
Energy: 1.154602785504608
Energy: 1.1300705031499902
Energy: 1.154602785504608
Energy: 1.1541638975565565
Energy: 1.1692531573803993
Energy: 1.241115372620801
Energy: 1.169253157381918
Energy: 1.1267822365421256
Energy: 1.2014440343545183
Energy: 1.2034076619318312
Energy: 1.2014440343552777

minimum gb energy = 1.1267822365421256 eV
minimum distance =  2.6954968839169 Angstroms
sigma value = 9


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

Energy: 1.51868554727167
Energy: 1.2569048288021807
Energy: 1.2571020237921133
Energy: 1.183094184093372
Energy: 1.2577093564304878
Energy: 1.3184711508673486
Energy: 1.2109548479894718
Energy: 1.3184711508700666
Energy: 1.257180702491957
Energy: 1.2585256292789233
Energy: 1.2423023253437384
Energy: 1.2585256292752995
Energy: 1.2577063764868046
Energy: 1.3193783622522437
Energy: 1.2112841333461528
Energy: 1.3193783622522437
Energy: 1.20012971465897
Energy: 1.2123491739488745
Energy: 1.2109041420729432
Energy: 1.2123491739479688
Energy: 1.3969661303018301
Energy: 1.2100956483398368
Energy: 1.210685813955034
Energy: 1.2100956483398368
Energy: 1.2403958226839116
Energy: 1.3688832950196261
Energy: 1.2078419174478123
Energy: 1.3688832950196261
Energy: 1.2110623587357225
Energy: 1.35372723171684
Energy: 1.3954723256066002
Energy: 1.3537272317141222
Energy: 1.2096034802315683
Energy: 1.2108501633500548
Energy: 1.1639929941314666
Energy: 1.2108501633500548
Energy: 1.2120109896687188
Energy: 1.3189999758370061
Energy: 1.3014134865397342
Energy: 1.3189999758370061
Energy: 1.1578189176925837
Energy: 1.2571379249727404
Energy: 1.2556334278604344
Energy: 1.2571379249718342
Energy: 1.2433571110249593
Energy: 1.2456695641083
Energy: 1.2113769643602113
Energy: 1.2456695641083
Energy: 1.2579563407082035
Energy: 1.2569110099388745
Energy: 1.2425634140319526
Energy: 1.2569110099379686
Energy: 1.2580672576262213
Energy: 1.3172509954866787
Energy: 1.3867912371447473
Energy: 1.3172509954884908
Energy: 1.200118840810732
Energy: 1.2128485850613269
Energy: 1.2111333975136622
Energy: 1.2128485850613269
Energy: 1.398862240721198
Energy: 1.2102228033614768
Energy: 1.20965900380988
Energy: 1.2102228033614768
Energy: 1.2414945260535375
Energy: 1.3697430537492923
Energy: 1.2082721611682432
Energy: 1.3697430537501978
Energy: 1.2495779124331696
Energy: 1.355603191520953
Energy: 1.3969768515737686
Energy: 1.355603191520953
Energy: 1.2091795601193076
Energy: 1.2113675085055478
Energy: 1.1636054090796892
Energy: 1.2113675085064537
Energy: 1.212879153829728
Energy: 1.2470025825140318
Energy: 1.16326538843793
Energy: 1.2470025825158437
Energy: 1.1579543936845045
Energy: 1.256727303440805
Energy: 1.2566257924933357
Energy: 1.2567273034308397

minimum gb energy = 1.1578189176925837 eV
minimum distance =  2.69473529473141 Angstroms
sigma value = 25


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

Energy: 1.3481380210490732
Energy: 1.3010448379494575
Energy: 1.3017590941290562
Energy: 1.2091948885890624
Energy: 1.3014064873414617
Energy: 1.295604905697429
Energy: 1.227216517659486
Energy: 1.2956049056985495
Energy: 1.2933595884596831
Energy: 1.3019882827823417
Energy: 1.2865352011419477
Energy: 1.3019882827834621
Energy: 1.3012825019103278
Energy: 1.2951209875044924
Energy: 1.2273898393069533
Energy: 1.2951209875056129
Energy: 1.2609959978307776
Energy: 1.2896304310270592
Energy: 1.228937962524877
Energy: 1.2896304310270592
Energy: 1.1880876406830876
Energy: 1.213790636462909
Energy: 1.2127779810608235
Energy: 1.213790636462909
Energy: 1.1802835538970422
Energy: 1.2898702950961234
Energy: 1.2167503252044187
Energy: 1.2898702950961234
Energy: 1.179107090725555
Energy: 1.2952870987023346
Energy: 1.2280051626528852
Energy: 1.2952870987023346
Energy: 1.2991818563934165
Energy: 1.3009053781186075
Energy: 1.384972954024154
Energy: 1.3009053781163666
Energy: 1.2998586063110116
Energy: 1.2956630314130784
Energy: 1.297980543174344
Energy: 1.2956630314141988
Energy: 1.2863853385959128
Energy: 1.3026877925189173
Energy: 1.2973916456635617
Energy: 1.302687792517797
Energy: 1.2862182124232833
Energy: 1.2952100927891044
Energy: 1.3020390906562724
Energy: 1.2952100927891044
Energy: 1.2268989814074494
Energy: 1.2137583587645995
Energy: 1.2188555403765005
Energy: 1.213758358763479
Energy: 1.2152900354889478
Energy: 1.288661629329239
Energy: 1.1874111099116762
Energy: 1.2886616293303592
Energy: 1.2788733428029386
Energy: 1.2272763122305954
Energy: 1.1790754396749281
Energy: 1.2272763122317156
Energy: 1.2282863961332071
Energy: 1.1855685659480462
Energy: 1.1798141473754156
Energy: 1.185568565952528
Energy: 1.3854207786112538
Energy: 1.2999151283084234
Energy: 1.2999307228163985
Energy: 1.2999151283084234

minimum gb energy = 1.1790754396749281 eV
minimum distance =  2.69745976086207 Angstroms
sigma value = 17


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

Energy: 1.789271759584604
Energy: 1.3906100913840098
Energy: 1.3900379491571984
Energy: 1.3384123926323865
Energy: 1.2767822897033596
Energy: 1.3105090351649213
Energy: 1.406116540194221
Energy: 1.310509035167459
Energy: 1.2781034622750498
Energy: 1.2777209582774935
Energy: 1.6472995201743477
Energy: 1.2777209582793974
Energy: 1.2776207446675323
Energy: 1.3107629710834665
Energy: 1.3792924309776984
Energy: 1.3107629710809283
Energy: 1.2772281269063739
Energy: 1.408764249725533
Energy: 1.217771396760643
Energy: 1.408764249725533
Energy: 1.3081601461944778
Energy: 1.3904982850706105
Energy: 1.2772919928947708
Energy: 1.3904982850718794
Energy: 1.3221404962783123
Energy: 1.2767688733878393
Energy: 1.2690389202292915
Energy: 1.2767688733878393
Energy: 1.4743784682489176
Energy: 1.3092705532982525
Energy: 1.2796254052066536
Energy: 1.3092705532969835
Energy: 1.3922999978076034
Energy: 1.3932165662422213
Energy: 1.377487061577446
Energy: 1.3932165662434906
Energy: 1.3929108089927527
Energy: 1.3905673695963794
Energy: 1.3810178685271453
Energy: 1.3905673695944758
Energy: 1.2728888347237297
Energy: 1.2722634114048244
Energy: 1.2411734309738427
Energy: 1.27226341139721
Energy: 1.4001593819642504
Energy: 1.2677896193736478
Energy: 1.2589230313440263
Energy: 1.2677896193704752
Energy: 1.3275290786683687
Energy: 1.272097925935586
Energy: 1.2642690786727608
Energy: 1.2720979259362206
Energy: 1.3268593354997922
Energy: 1.3784181234852018
Energy: 1.241047041692444
Energy: 1.3784181234852018
Energy: 1.3912947196975223
Energy: 1.3921910969608104
Energy: 1.4342550618508279
Energy: 1.3921910969639832
Energy: 1.3929282958646168
Energy: 1.3909357056792735
Energy: 1.4316249667504515
Energy: 1.3909357056754663
Energy: 1.3827810377629886
Energy: 1.2762170498933332
Energy: 1.2781078068213534
Energy: 1.2762170498939673
Energy: 1.38400574872102
Energy: 1.2767459678662403
Energy: 1.2757210210835757
Energy: 1.2767459678668747
Energy: 1.307799254306756
Energy: 1.4313279504310565
Energy: 1.2787016272198681
Energy: 1.4313279504297876
Energy: 1.318007904872994
Energy: 1.410651612759593
Energy: 1.2764695818798966
Energy: 1.4106516127583237
Energy: 1.2756808269911453
Energy: 1.3100742498915792
Energy: 1.45821227352948
Energy: 1.310074249889041
Energy: 1.2788256962959335
Energy: 1.2795750277376192
Energy: 1.3225466817767708
Energy: 1.2795750277382538
Energy: 1.3903040157104891
Energy: 1.3844182829409144
Energy: 1.3916727974433372
Energy: 1.3844182829358385
Energy: 1.378218896949522
Energy: 1.3904274253506705
Energy: 1.3777671165065541
Energy: 1.3904274253494016
Energy: 1.2427601286259304
Energy: 1.3101477939432336
Energy: 1.390734875155923
Energy: 1.3101477939406954
Energy: 1.2640615636830808
Energy: 1.2716676866395344
Energy: 1.2715716579935346
Energy: 1.2716676866388998
Energy: 1.2323195450440536
Energy: 1.2363987191128945
Energy: 1.3974396007655818
Energy: 1.236398719113529
Energy: 1.2589514736261649
Energy: 1.2720453642240177
Energy: 1.3291513885819755
Energy: 1.2720453642240177
Energy: 1.2722028128034983
Energy: 1.307915717498203
Energy: 1.327804579041187
Energy: 1.3079157174988376
Energy: 1.7865965416928464
Energy: 1.390345756011976
Energy: 1.3893873160316386
Energy: 1.3903457560176868

minimum gb energy = 1.217771396760643 eV
minimum distance =  2.67771134626305 Angstroms
sigma value = 53


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

Energy: 1.6420725412895307
Energy: 1.3184125737258636
Energy: 1.3125146647006436
Energy: 1.21453100985066
Energy: 1.3292604202787384
Energy: 1.2728245802340836
Energy: 1.3271659011600079
Energy: 1.2728245802340836
Energy: 1.3133061637981902
Energy: 1.320821537878485
Energy: 1.3960018313455034
Energy: 1.320821537878485
Energy: 1.3320248230729121
Energy: 1.2725215430953094
Energy: 1.4309983849109036
Energy: 1.2725215430967702
Energy: 1.4228899947835705
Energy: 1.3010882472895156
Energy: 1.1590612945717633
Energy: 1.301088247288055
Energy: 1.436693001788291
Energy: 1.2836964977309244
Energy: 1.1619758220362535
Energy: 1.2836964977323853
Energy: 1.6513211477334022
Energy: 1.326183267471888
Energy: 1.31417217405758
Energy: 1.326183267471888
Energy: 1.429506009959939
Energy: 1.273826085047941
Energy: 1.318858665116177
Energy: 1.2738260850493686
Energy: 1.3142795120395228
Energy: 1.3195463386112383
Energy: 1.3956289070588759
Energy: 1.3195463386112383
Energy: 1.3304265978194176
Energy: 1.2735946055451337
Energy: 1.3338360039607007
Energy: 1.2735946055436729
Energy: 1.422922886164795
Energy: 1.2781315242455895
Energy: 1.163284927271616
Energy: 1.2781315242441285
Energy: 1.328601389555073
Energy: 1.2734455455835896
Energy: 1.1572204058927935
Energy: 1.2734455455865112
Energy: 1.429416452838253
Energy: 1.277953427281558
Energy: 1.3308235063853935
Energy: 1.277953427281558

minimum gb energy = 1.1572204058927935 eV
minimum distance =  2.75172955920096 Angstroms
sigma value = 9


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

Energy: 1.6646904811254335
Energy: 1.4441172291085578
Energy: 1.4411281569020393
Energy: 1.411085161965792
Energy: 1.2642585756625053
Energy: 1.3009585223102895
Energy: 1.4460179638690118
Energy: 1.3009585223108304
Energy: 1.2617603487526041
Energy: 1.2683161779000847
Energy: 1.5564995685483272
Energy: 1.2683161778995442
Energy: 1.2537485293026012
Energy: 1.258524381530956
Energy: 1.5649906057776966
Energy: 1.258524381532578
Energy: 1.2624444220753348
Energy: 1.2651509636882172
Energy: 1.4739216602537217
Energy: 1.2651509636892986
Energy: 1.269369299369961
Energy: 1.3901854788984154
Energy: 1.4741397309274664
Energy: 1.3901854788935493
Energy: 1.4125674354686288
Energy: 1.4658763736242482
Energy: 1.4465964014582315
Energy: 1.4658763736242482
Energy: 1.4269714889739127
Energy: 1.3363557791712244
Energy: 1.4447160736226856
Energy: 1.3363557791706837
Energy: 1.339519971704459
Energy: 1.3320973250075065
Energy: 1.364017613283305
Energy: 1.332097325095585
Energy: 1.2824610111614883
Energy: 1.3405276709136746
Energy: 1.4971641176836088
Energy: 1.3405276709104308
Energy: 1.3413085185214497
Energy: 1.3655357804999246
Energy: 1.4205640030040705
Energy: 1.3655357805020871
Energy: 1.3298768870734987
Energy: 1.3466704310912299
Energy: 1.6709625511763058
Energy: 1.3466704310917705
Energy: 1.4547882908927299
Energy: 1.3364755867713756
Energy: 1.345784592075704
Energy: 1.336475586769213
Energy: 1.4054509516469624
Energy: 1.3466774437645823
Energy: 1.3426691898230907
Energy: 1.3466774437640414
Energy: 1.4704688914543642
Energy: 1.3810872562824694
Energy: 1.373883355360801
Energy: 1.3810872562851728
Energy: 1.4544762685117527
Energy: 1.3725459904781276
Energy: 1.3723934242868343
Energy: 1.3725459904781276
Energy: 1.3943526363663523
Energy: 1.264581505002561
Energy: 1.3943093634319528
Energy: 1.2645815050063454
Energy: 1.3845621213919217
Energy: 1.3870184525600455
Energy: 1.6038186841486224
Energy: 1.387018452559505
Energy: 1.3886505189600258
Energy: 1.2634457676043946
Energy: 1.2713683757187384
Energy: 1.2634457676049355
Energy: 1.5566007776337307
Energy: 1.3146515059560848
Energy: 1.3018333542719025
Energy: 1.3146515059577069
Energy: 1.4643734505968138
Energy: 1.304654498673713
Energy: 1.296454356630313
Energy: 1.304654498673713
Energy: 1.4746930243196552
Energy: 1.2816425666317175
Energy: 1.2820121871716286
Energy: 1.281642566635502
Energy: 1.4742225394502497
Energy: 1.373591721889339
Energy: 1.285283066146605
Energy: 1.3735917218909608
Energy: 1.448455021333803
Energy: 1.4694249957292596
Energy: 1.4074737152378245
Energy: 1.469424995726556
Energy: 1.447115737936671
Energy: 1.4740065462911247
Energy: 1.4273603326235758
Energy: 1.474006546288962
Energy: 1.3584555777734975
Energy: 1.3316547551123672
Energy: 1.3375043566954223
Energy: 1.3316547551172333
Energy: 1.4985408794912902
Energy: 1.3362263620878545
Energy: 1.2820017508202837
Energy: 1.3362263620862325
Energy: 1.4429684905214373
Energy: 1.3484877053622053
Energy: 1.3362483294943024
Energy: 1.3484877053595021
Energy: 1.6687496882204094
Energy: 1.3348140989444681
Energy: 1.325039409624343
Energy: 1.3348140989412243
Energy: 1.329242158152097
Energy: 1.3467090930682328
Energy: 1.4541112205212234
Energy: 1.3467090930725583
Energy: 1.3246903961783167
Energy: 1.3306662365090536
Energy: 1.5555673695510017
Energy: 1.3306662365095947
Energy: 1.3350335515762517
Energy: 1.354171758914408
Energy: 1.5250127703349354
Energy: 1.3541717589127862
Energy: 1.3320863752558176
Energy: 1.3326540803179998
Energy: 1.456068460880124
Energy: 1.332654080319081
Energy: 1.3411303356416382
Energy: 1.302760780053955
Energy: 1.4179937441950543
Energy: 1.3027607800528733
Energy: 1.666313875376026
Energy: 1.4420973735646347
Energy: 1.4434515409756965
Energy: 1.4420973735651754

minimum gb energy = 1.2537485293026012 eV
minimum distance =  2.66342095767943 Angstroms
sigma value = 73


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

Energy: 1.6275472937144453
Energy: 1.4216719979207142
Energy: 1.4232684827359845
Energy: 1.3616850136290135
Energy: 1.2960001071156193
Energy: 1.343043069607002
Energy: 1.4224527551361796
Energy: 1.3430430696087174
Energy: 1.2980554479273214
Energy: 1.2956583124225325
Energy: 1.4607911191967202
Energy: 1.295658312423371
Energy: 1.2723529482878124
Energy: 1.2703479521852368
Energy: 1.644439568371214
Energy: 1.2703479521852368
Energy: 1.2892154087474506
Energy: 1.2709847350818124
Energy: 1.4591844101784877
Energy: 1.2709847350800971
Energy: 1.292601978718538
Energy: 1.4194412683181281
Energy: 1.4581336916290424
Energy: 1.4194412683198436
Energy: 1.3463571882591236
Energy: 1.4966389249534073
Energy: 1.441876806307656
Energy: 1.496638924954265
Energy: 1.3455980161018002
Energy: 1.4807523540485628
Energy: 1.4433661114631275
Energy: 1.4807523540494207
Energy: 1.365461788578798
Energy: 1.2469540947179487
Energy: 1.4738780660951958
Energy: 1.2469540947188065
Energy: 1.3131765597028824
Energy: 1.4312485081664943
Energy: 1.4945337312402143
Energy: 1.43124850816821
Energy: 1.3480730757310169
Energy: 1.3668648793818443
Energy: 1.2948071324756587
Energy: 1.3668648793827023
Energy: 1.3386086443279936
Energy: 1.3380227158433402
Energy: 1.5352247028867048
Energy: 1.3380227158424824
Energy: 1.4638263381238088
Energy: 1.3671867423745843
Energy: 1.3528405883021744
Energy: 1.3671867423745843
Energy: 1.4635637829362644
Energy: 1.358990321990018
Energy: 1.3544658045378775
Energy: 1.3589903219908757
Energy: 1.5269838716245017
Energy: 1.3146166620254431
Energy: 1.3131797669934306
Energy: 1.3146166620254431
Energy: 1.4576370113800583
Energy: 1.3132353544557118
Energy: 1.3065217882574127
Energy: 1.3132353544557118
Energy: 1.4990654773819116
Energy: 1.3191225480165722
Energy: 1.3063614102046228
Energy: 1.3191225480165722
Energy: 1.4289571198090205
Energy: 1.428758782345361
Energy: 1.3453035058895075
Energy: 1.4287587823436454
Energy: 1.4294739785397377
Energy: 1.3770374613387744
Energy: 1.3869979193014303
Energy: 1.3770374613379166
Energy: 1.4173327852512057
Energy: 1.3880366441411236
Energy: 1.4276651191284018
Energy: 1.3880366441402658
Energy: 1.4431899873654157
Energy: 1.4503930530070297
Energy: 1.313956301368546
Energy: 1.450393053006172
Energy: 1.4473557703691795
Energy: 1.42594791125947
Energy: 1.421534883852954
Energy: 1.425947911258612

minimum gb energy = 1.2469540947179487 eV
minimum distance =  2.66982357884022 Angstroms
sigma value = 7


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

Energy: 1.7628981511783735
Energy: 1.4400944109668161
Energy: 1.4400269536910306
Energy: 1.358878045794183
Energy: 1.2669147718052496
Energy: 1.2612148797451392
Energy: 1.4778684401354405
Energy: 1.2612148797451392
Energy: 1.2687084088224359
Energy: 1.2687499139855116
Energy: 1.3608521221707095
Energy: 1.2687499139842986
Energy: 1.2517709243663078
Energy: 1.2601652012088647
Energy: 1.4415033359557132
Energy: 1.2601652012088647
Energy: 1.3080004472078406
Energy: 1.2575207357170688
Energy: 1.4704851485396724
Energy: 1.2575207357164622
Energy: 1.3105897926339474
Energy: 1.260741937212132
Energy: 1.4704279638937474
Energy: 1.2607419372139517
Energy: 1.4713983795960608
Energy: 1.4122405591430205
Energy: 1.3097657969008751
Energy: 1.4122405591412008
Energy: 1.4742533208897
Energy: 1.2574790706392698
Energy: 1.3064692536379876
Energy: 1.2574790706374501
Energy: 1.4790321787028862
Energy: 1.2597004426328358
Energy: 1.2547751034684196
Energy: 1.2597004426334424
Energy: 1.4728187936547077
Energy: 1.2679188531699623
Energy: 1.266989647458187
Energy: 1.2679188531693557
Energy: 1.4405370189400655
Energy: 1.3540373044704264
Energy: 1.3023654269275071
Energy: 1.354037304469213
Energy: 1.4365468313934455
Energy: 1.4356437161981237
Energy: 1.61525720971788
Energy: 1.435643716196911
Energy: 1.3716081456832057
Energy: 1.3505944995747627
Energy: 1.3740783182710685
Energy: 1.3505944995741561
Energy: 1.3697113970546977
Energy: 1.3505280668965334
Energy: 1.255786865736112
Energy: 1.350528066894714
Energy: 1.3685231985214623
Energy: 1.26095126025652
Energy: 1.2587370257403783
Energy: 1.2609512602589463
Energy: 1.336226772182482
Energy: 1.4358690555685045
Energy: 1.4365180781447555
Energy: 1.435869055565472
Energy: 1.3338363647338687
Energy: 1.2606456324227873
Energy: 1.4428723367943697
Energy: 1.2606456324264268
Energy: 1.2688542363971047
Energy: 1.2697421263369897
Energy: 1.3625051845477105
Energy: 1.2697421263382027
Energy: 1.2542998352529897
Energy: 1.2608725187369207
Energy: 1.4789163617054693
Energy: 1.260872518738134
Energy: 1.3073949761856982
Energy: 1.264144375994647
Energy: 1.3413647057719713
Energy: 1.2641443759976796
Energy: 1.3097181656458767
Energy: 1.4063943932431975
Energy: 1.4713869321545687
Energy: 1.4063943932444105
Energy: 1.4731005215629285
Energy: 1.259241710534644
Energy: 1.310393666705559
Energy: 1.2592417105340377
Energy: 1.4728212866625867
Energy: 1.2570870616621155
Energy: 1.3088647848850452
Energy: 1.2570870616602958
Energy: 1.4783443072770837
Energy: 1.2600680645574225
Energy: 1.2521749482383369
Energy: 1.2600680645574225
Energy: 1.4704192319978313
Energy: 1.2705990611846674
Energy: 1.267883369113065
Energy: 1.2705990611846674
Energy: 1.4791282078865777
Energy: 1.2608813860667458
Energy: 1.2693485817445604
Energy: 1.2608813860643195
Energy: 1.4408369483290744
Energy: 1.4404548409192655
Energy: 1.612713378964105
Energy: 1.4404548409180526
Energy: 1.373485655447889
Energy: 1.2614804084130673
Energy: 1.2691961210926614
Energy: 1.2614804084033902
Energy: 1.3641378706950618
Energy: 1.353052288386659
Energy: 1.370288833860331
Energy: 1.3530522883860523
Energy: 1.372988419808245
Energy: 1.402392598947745
Energy: 1.256128066387062
Energy: 1.402392598946532
Energy: 1.3338131322206237
Energy: 1.4158194775079596
Energy: 1.4332115557207576
Energy: 1.4158194775043202

minimum gb energy = 1.2517709243663078 eV
minimum distance =  2.66008852805301 Angstroms
sigma value = 29


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

Energy: 1.1317806093160432
Energy: 1.1634011340443156
Energy: 1.1648545242679331
Energy: 1.1366620726690766
Energy: 1.1655823644970522
Energy: 1.3047179625077465
Energy: 1.2616072294220362
Energy: 1.3047179625079344
Energy: 1.1665147785515655
Energy: 1.1673929248886772
Energy: 1.1401867216787276
Energy: 1.1673929248878319
Energy: 1.1834342731577276
Energy: 1.167574846284906
Energy: 1.1657385787188268
Energy: 1.167574846284061
Energy: 1.1677313355321823
Energy: 1.1670640583653804
Energy: 1.1374266612414083
Energy: 1.1670640583658032
Energy: 1.256060517923483
Energy: 1.3014817342168001
Energy: 1.1373935141554437
Energy: 1.3014817342165887
Energy: 1.1405590217063737
Energy: 1.3051297060610816
Energy: 1.1715950019229493
Energy: 1.3051297060600484
Energy: 1.261818315324686
Energy: 1.1706603584621333
Energy: 1.1814232877648865
Energy: 1.1706603584629551
Energy: 1.1377236247061455
Energy: 1.1697905843184557
Energy: 1.1658700597789695
Energy: 1.1697905843192773

minimum gb energy = 1.1317806093160432 eV
minimum distance =  2.70311777986725 Angstroms
sigma value = 5


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

Energy: 1.4769177707314194
Energy: 1.204368631339602
Energy: 1.2045160380280089
Energy: 1.2651934379709762
Energy: 1.3912423918930503
Energy: 1.1991590475227307
Energy: 1.3767416351345763
Energy: 1.19915904752445
Energy: 1.3763233821110556
Energy: 1.30206409055699
Energy: 1.3502294170694031
Energy: 1.302064090558136
Energy: 1.2143965420334737
Energy: 1.3754269400693067
Energy: 1.3527392142736017
Energy: 1.3754269400675878
Energy: 1.3016114776740118
Energy: 1.198102916065907
Energy: 1.3466935120303114
Energy: 1.198102916064188
Energy: 1.290182018117597
Energy: 1.1982500306283643
Energy: 1.4056501313192413
Energy: 1.1982500306289372
Energy: 1.1943019499134373
Energy: 1.1970215711462553
Energy: 1.3529533462035037
Energy: 1.1970215711468284
Energy: 1.1998511283269804
Energy: 1.200610134347254
Energy: 1.4847471149037852
Energy: 1.2006101343484
Energy: 1.2002956682769468
Energy: 1.2717770072665064
Energy: 1.5214392538438914
Energy: 1.2717770072676524
Energy: 1.3422224147152084
Energy: 1.182659931552636
Energy: 1.1840566584964651
Energy: 1.1826599315491984
Energy: 1.2006256241240152
Energy: 1.180793763732825
Energy: 1.1818687397718344
Energy: 1.180793763732825
Energy: 1.5156245993359416
Energy: 1.184957280571521
Energy: 1.2149801700968594
Energy: 1.1849572805652182
Energy: 1.484735769973195
Energy: 1.2543704856197588
Energy: 1.1851660227366205
Energy: 1.254370485620332
Energy: 1.201264780025024
Energy: 1.273400783094115
Energy: 1.350507384269856
Energy: 1.273400783094688
Energy: 1.199331774691823
Energy: 1.1991682231424776
Energy: 1.368814800629428
Energy: 1.1991682231413316
Energy: 1.1989382534236128
Energy: 1.1983651988285131
Energy: 1.3916984196576156
Energy: 1.198365198829086
Energy: 1.1999926928172036
Energy: 1.1994243296774407
Energy: 1.2097392930732052
Energy: 1.199424329672857
Energy: 1.4307417086634313
Energy: 1.2006163763541704
Energy: 1.1806232390880556
Energy: 1.2006163763495867
Energy: 1.3505038715473316
Energy: 1.3042301731116874
Energy: 1.3755749571235087
Energy: 1.3042301731128334
Energy: 1.3520753869282567
Energy: 1.3021895557156367
Energy: 1.211077557674214
Energy: 1.3021895557167824
Energy: 1.3672244700986702
Energy: 1.2045833700925006
Energy: 1.3238758428559054
Energy: 1.2045833700930735
Energy: 1.3468311687446781
Energy: 1.2358507792054545
Energy: 1.1992355141865552
Energy: 1.2358507792048818
Energy: 1.3527580762930658
Energy: 1.1974336796221756
Energy: 1.195712443340269
Energy: 1.1974336796227485
Energy: 1.488375312373087
Energy: 1.202428999880747
Energy: 1.1995670357242667
Energy: 1.2024289998784552
Energy: 1.5243494541600924
Energy: 1.271248816826075
Energy: 1.2007722548582547
Energy: 1.2712488168266476
Energy: 1.1852121656710581
Energy: 1.1828559406652601
Energy: 1.3420553878976444
Energy: 1.1828559406641141
Energy: 1.1828242858229387
Energy: 1.181836826260735
Energy: 1.199434009051722
Energy: 1.1818368262636
Energy: 1.2145049226533042
Energy: 1.1838290616568956
Energy: 1.212234231874408
Energy: 1.1838290616540308
Energy: 1.185759732325484
Energy: 1.2516190870962154
Energy: 1.4840514202303523
Energy: 1.251619087099653
Energy: 1.3477332406451066
Energy: 1.2722800583237197
Energy: 1.283557662779319
Energy: 1.272280058319136
Energy: 1.347516305342478
Energy: 1.2004894553874326
Energy: 1.199661009323249
Energy: 1.20048945538686
Energy: 1.3918230118872983
Energy: 1.1973517478563074
Energy: 1.1986621102482824
Energy: 1.1973517478574536
Energy: 1.2081284599622726
Energy: 1.25810152263114
Energy: 1.1998607525681464
Energy: 1.258101522633432

minimum gb energy = 1.1806232390880556 eV
minimum distance =  2.68235947026146 Angstroms
sigma value = 1


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

Energy: 1.6329409844308471
Energy: 1.181245890833175
Energy: 1.1815517465147303
Energy: 1.2637608353011118
Energy: 1.2558648067248588
Energy: 1.1796591478200626
Energy: 1.3978416593254226
Energy: 1.1796591593464907
Energy: 1.4035324650265792
Energy: 1.3142330926343586
Energy: 1.3886949765818632
Energy: 1.3142330926343586
Energy: 1.269725509745934
Energy: 1.3149710615150911
Energy: 1.303693899563533
Energy: 1.3149710615174675
Energy: 1.308949491899092
Energy: 1.2728897023098555
Energy: 1.2827243981517367
Energy: 1.27288970231144
Energy: 1.1847200806025777
Energy: 1.184253796009058
Energy: 1.282643736742822
Energy: 1.1842537960082657
Energy: 1.1810119912550123
Energy: 1.1828647117301228
Energy: 1.303885479035108
Energy: 1.1828647117301228
Energy: 1.1924410427060737
Energy: 1.1840712648807443
Energy: 1.4777584565377353
Energy: 1.1840712648807443
Energy: 1.1770457893468507
Energy: 1.2874897142377393
Energy: 1.379017824788969
Energy: 1.2874897142385315
Energy: 1.455258548130148
Energy: 1.1562451498755613
Energy: 1.253564905630567
Energy: 1.1562451498755613
Energy: 1.1763171418896334
Energy: 1.2533893447067406
Energy: 1.2521283161646655
Energy: 1.2533893447059485
Energy: 1.4318807726935765
Energy: 1.140906573860602
Energy: 1.2585559176100427
Energy: 1.1409065738613942
Energy: 1.5547600036598361
Energy: 1.3457629213369358
Energy: 1.334821320954732
Energy: 1.3457629213369358
Energy: 1.176945860290947
Energy: 1.1394373379500742
Energy: 1.4737665459311546
Energy: 1.1394373379508662
Energy: 1.2701094541788083
Energy: 1.385837361413331
Energy: 1.4832188117250422
Energy: 1.385837361413331
Energy: 1.2700563131282323
Energy: 1.1843953293780582
Energy: 1.4618671964967094
Energy: 1.1843953293780582
Energy: 1.3076254749388783
Energy: 1.3068554127994085
Energy: 1.2833731718634325
Energy: 1.3068554128009928
Energy: 1.1845819440992205
Energy: 1.1842838555883946
Energy: 1.2828449209918258
Energy: 1.1842838555891868
Energy: 1.1842204353340795
Energy: 1.1847910496883955
Energy: 1.3798162705798194
Energy: 1.1847910496876033
Energy: 1.1870223141201202
Energy: 1.184562299483747
Energy: 1.4858636899434987
Energy: 1.1845622994829548
Energy: 1.4582502765344245
Energy: 1.362572376582064
Energy: 1.179998608126377
Energy: 1.3625723765804794
Energy: 1.4587343708322622
Energy: 1.1791979996743902
Energy: 1.1792419071235136
Energy: 1.179197999673598
Energy: 1.254435681747067
Energy: 1.1774138587262475
Energy: 1.177549800970593
Energy: 1.1774138587262475
Energy: 1.4697418313517132
Energy: 1.2226596965919803
Energy: 1.1793760466286862
Energy: 1.2226596965919803

minimum gb energy = 1.1394373379500742 eV
minimum distance =  2.66257702706405 Angstroms
sigma value = 17


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

Energy: 1.620031004889432
Energy: 1.1543223937437068
Energy: 1.1570979332194211
Energy: 1.2065865473813473
Energy: 1.1524345682954962
Energy: 1.151465417704652
Energy: 1.2777648463652789
Energy: 1.1514654177080796
Energy: 1.393769299746415
Energy: 1.3360561988999062
Energy: 1.2785911709590843
Energy: 1.3360561988906028
Energy: 1.3918194995441684
Energy: 1.5000050894100847
Energy: 1.329514627065722
Energy: 1.5000050894091055
Energy: 1.337413899413733
Energy: 1.1449749821223085
Energy: 1.5171206283110068
Energy: 1.1449749821125155
Energy: 1.1454371853919156
Energy: 1.144192390591941
Energy: 1.3308069411243761
Energy: 1.1441923905894928
Energy: 1.1408058710996372
Energy: 1.138561907732076
Energy: 1.2276689642865914
Energy: 1.1385619077330555
Energy: 1.160127711011484
Energy: 1.1640508961335967
Energy: 1.6286531892282032
Energy: 1.164050896136045
Energy: 1.3399296572771524
Energy: 1.1401796786530565
Energy: 1.3942233813808542
Energy: 1.1401796786545255
Energy: 1.2729557379459295
Energy: 1.3393565395936216
Energy: 1.2787998346778444
Energy: 1.3393565395960698
Energy: 1.3351994225495305
Energy: 1.3365049814645895
Energy: 1.157288716646145
Energy: 1.3365049814606724
Energy: 1.3308910297818182
Energy: 1.1555442482321647
Energy: 1.33245531543921
Energy: 1.1555442482297165
Energy: 1.4495616217801008
Energy: 1.1738641256764126
Energy: 1.1754007659865835
Energy: 1.1738641256862057
Energy: 1.268984066593459
Energy: 1.149962263271703
Energy: 1.1525561269764801
Energy: 1.1499622632726823
Energy: 1.3937325917338448
Energy: 1.1533488719702487
Energy: 1.150739613379654
Energy: 1.1533488719702487
Energy: 1.1410402089217162
Energy: 1.2169130896478866
Energy: 1.1540042281496257
Energy: 1.2169130896464175
Energy: 1.2034369274596899
Energy: 1.1509744965829536
Energy: 1.5073316382963164
Energy: 1.150974496584912
Energy: 1.1496161621006769
Energy: 1.1504867265671392
Energy: 1.3381047225884737
Energy: 1.1504867265666496
Energy: 1.199782203934449
Energy: 1.1529448104027467
Energy: 1.3919065472425978
Energy: 1.1529448104056845
Energy: 1.2288056492918142
Energy: 1.2343440148317784
Energy: 1.621344985336365
Energy: 1.2343440148391231
Energy: 1.2776249808922577
Energy: 1.1514394210799614
Energy: 1.1521721587562206
Energy: 1.1514394210784924
Energy: 1.2815984934605584
Energy: 1.3365190149854211
Energy: 1.3926133142395354
Energy: 1.3365190149834625
Energy: 1.223150416047343
Energy: 1.2277813447991779
Energy: 1.3951800901508566
Energy: 1.2277813448158261
Energy: 1.5119280990332709
Energy: 1.3914113398284444
Energy: 1.3333676335458409
Energy: 1.3914113398308927
Energy: 1.333391616715872
Energy: 1.1423948654512468
Energy: 1.1407456353813927
Energy: 1.1423948654546743
Energy: 1.2785632267343061
Energy: 1.1394481868213744
Energy: 1.1394221191612548
Energy: 1.1394481868781743
Energy: 1.6234233080699685
Energy: 1.1402463327143448
Energy: 1.143120916639493
Energy: 1.1402463327148344
Energy: 1.3958321593824758
Energy: 1.1391617749615013
Energy: 1.3369423188614535
Energy: 1.1391617749575842
Energy: 1.2787305044355024
Energy: 1.3385568752107346
Energy: 1.2759412192667912
Energy: 1.3385568752097554
Energy: 1.1591778285461163
Energy: 1.2788716969351062
Energy: 1.333769773951217
Energy: 1.2788716969331475
Energy: 1.3345177563515185
Energy: 1.1574730732957037
Energy: 1.3304626516456832
Energy: 1.157473073295214
Energy: 1.1749650510106797
Energy: 1.1587950785901082
Energy: 1.5092823815251102
Energy: 1.158795078590598
Energy: 1.1503931541927337
Energy: 1.1491314745629049
Energy: 1.4108978402077168
Energy: 1.149131474558498
Energy: 1.1517484933133637
Energy: 1.1548124363649084
Energy: 1.3933194851189865
Energy: 1.1548124363624601
Energy: 1.3350248020731066
Energy: 1.2158379360561884
Energy: 1.1397900592546508
Energy: 1.215837936056678
Energy: 1.5062284781230928
Energy: 1.1580817521609372
Energy: 1.1529475657537267
Energy: 1.1580817521633857
Energy: 1.3342049624968662
Energy: 1.1498166165770172
Energy: 1.1509626921957135
Energy: 1.1498166165779966
Energy: 1.3906412415252103
Energy: 1.1547042512800312
Energy: 1.1998375896664282
Energy: 1.1547042512854175

minimum gb energy = 1.138561907732076 eV
minimum distance =  2.64551296441478 Angstroms
sigma value = 89


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

Energy: 1.6771325129544605
Energy: 1.0683668486833304
Energy: 1.0727982899857316
Energy: 1.120109924712641
Energy: 1.1671494082000655
Energy: 1.196170824856613
Energy: 1.167637041608679
Energy: 1.1961708248578942
Energy: 1.0552484582211943
Energy: 1.194806917226086
Energy: 1.167886869892396
Energy: 1.194806917226086
Energy: 1.0546370785647152
Energy: 1.1962499432172313
Energy: 1.166818819019916
Energy: 1.1962499432172313
Energy: 1.1641388516060385
Energy: 1.0666231819812906
Energy: 1.1567807039008837
Energy: 1.0666231819812906
Energy: 1.067159275918963
Energy: 1.0663072962243592
Energy: 1.1562260459960458
Energy: 1.066307296223078
Energy: 1.0642547064547605
Energy: 1.064897228289872
Energy: 1.1685150368031962
Energy: 1.064897228289872
Energy: 1.0667771429700732
Energy: 1.0661754900839817
Energy: 1.0552729325731522
Energy: 1.0661754900839817
Energy: 1.0987644921470623
Energy: 1.0676391110618937
Energy: 1.05613385283873
Energy: 1.0676391110618937
Energy: 1.1693166770637138
Energy: 1.1967080768140552
Energy: 1.1671694675855135
Energy: 1.1967080768140552
Energy: 1.167397076003731
Energy: 1.1967816032415926
Energy: 1.0528354911831415
Energy: 1.1967816032428737
Energy: 1.1562301008573894
Energy: 1.0664795996714564
Energy: 1.166840381709655
Energy: 1.0664795996714564
Energy: 1.3658889817834847
Energy: 1.0663774404169262
Energy: 1.0673887604709666
Energy: 1.066377440415645
Energy: 1.1654503648148071
Energy: 1.0640255947078812
Energy: 1.062891886998952
Energy: 1.0640255947091624
Energy: 1.056182521570971
Energy: 1.0666066498072446
Energy: 1.066453155688956
Energy: 1.0666066498098072

minimum gb energy = 1.0528354911831415 eV
minimum distance =  2.67901523823179 Angstroms
sigma value = 13


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

Energy: 1.5284790882415529
Energy: 1.0298257295905944
Energy: 1.030299274417678
Energy: 1.0797420990104125
Energy: 1.4096919417710803
Energy: 1.0244422813292653
Energy: 1.1527513534532987
Energy: 1.0244422813260432
Energy: 1.510581413419026
Energy: 1.0241566823514403
Energy: 1.1564056967926388
Energy: 1.0241566823514403
Energy: 1.2767778327392973
Energy: 1.3114090768565478
Energy: 1.1539926863451029
Energy: 1.3114090768592328
Energy: 1.1543553102302762
Energy: 1.2259445442102368
Energy: 1.4003651590001822
Energy: 1.2259445442102368
Energy: 1.1544154592511708
Energy: 1.0240687243548763
Energy: 1.4001909432100594
Energy: 1.0240687243575612
Energy: 1.157419022412166
Energy: 1.0240546740688277
Energy: 1.4337419565921596
Energy: 1.0240546740693646
Energy: 1.1562366854612154
Energy: 1.024934788966997
Energy: 1.6252683747823677
Energy: 1.024934788975589
Energy: 1.0247475981897713
Energy: 1.0275292156382045
Energy: 1.1526140926197583
Energy: 1.0275292156328346
Energy: 1.0244224652799994
Energy: 1.0231169061364647
Energy: 1.159960128756171
Energy: 1.0231169061386125
Energy: 1.0260617081794605
Energy: 1.0243045590698243
Energy: 1.5311995018623012
Energy: 1.024304559072509
Energy: 1.4045916955160074
Energy: 1.0227639784090492
Energy: 1.1579877138145505
Energy: 1.0227639784090492
Energy: 1.405594560090629
Energy: 1.103254579482932
Energy: 1.4066758005688185
Energy: 1.1032545794823947
Energy: 1.4356952612222826
Energy: 1.486700245411787
Energy: 1.2799593668595786
Energy: 1.4867002454160831
Energy: 1.1540299979082385
Energy: 1.029333181196482
Energy: 1.1548642866640386
Energy: 1.02933318119326
Energy: 1.1537704627589782
Energy: 1.0270454528594009
Energy: 1.0247636422101865
Energy: 1.0270454528610118
Energy: 1.4365955203470617
Energy: 1.0238586448123717
Energy: 1.0249409656273831
Energy: 1.0238586448145197
Energy: 1.532197247048712
Energy: 1.0239854580340417
Energy: 1.0256028862771922
Energy: 1.0239854580367267
Energy: 1.276308061313473
Energy: 1.0270276839538126
Energy: 1.154414033638063
Energy: 1.0270276839570347
Energy: 1.1605536255565465
Energy: 1.0226748121636977
Energy: 1.1534740607018874
Energy: 1.0226748121647717
Energy: 1.2730907737803516
Energy: 1.0307807042120172
Energy: 1.1542916980219144
Energy: 1.0307807042098691
Energy: 1.1582567470622083
Energy: 1.1101256280155265
Energy: 1.4000324545445553
Energy: 1.1101256280187486
Energy: 1.1535198523458012
Energy: 1.0264137294866322
Energy: 1.4011609234914564
Energy: 1.026413729488243
Energy: 1.0273017646567344
Energy: 1.0234705863122606
Energy: 1.1534991771537246
Energy: 1.0234705863138716
Energy: 1.1547394522646248
Energy: 1.0242650299338143
Energy: 1.1523004207584833
Energy: 1.024265029930104
Energy: 1.0258706548807754
Energy: 1.0303917733509056
Energy: 1.1520888883244866
Energy: 1.0303917733519794
Energy: 1.0239603927489338
Energy: 1.0231297607836967
Energy: 1.1552728788338222
Energy: 1.0231297607836967
Energy: 1.0254492824483732
Energy: 1.0246008746389104
Energy: 1.5368419817988959
Energy: 1.024600874642132
Energy: 1.4291113742921835
Energy: 1.024299631166613
Energy: 1.2806358087801604
Energy: 1.024299631166613
Energy: 1.1506775458345972
Energy: 1.1076427701230793
Energy: 1.4161632095761398
Energy: 1.1076427701268383
Energy: 1.2172801167128313
Energy: 1.2347877095261603
Energy: 1.2753351781028208
Energy: 1.2347877095224016
Energy: 1.1535014446494076
Energy: 1.0263929039591133
Energy: 1.2182564001940739
Energy: 1.0263929039586253
Energy: 1.1535340016858413
Energy: 1.0301984246379594
Energy: 1.0255666838656983
Energy: 1.0301984246390334
Energy: 1.436152457277699
Energy: 1.023002896062508
Energy: 1.0249645060571513
Energy: 1.023002896064119
Energy: 1.281284945159477
Energy: 1.0244511161928702
Energy: 1.054135506436481
Energy: 1.0244511162052208

minimum gb energy = 1.0226748121636977 eV
minimum distance =  2.66335924692788 Angstroms
sigma value = 37


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

Energy: 1.4818174940635416
Energy: 0.9739527367463066
Energy: 0.9735348968611135
Energy: 1.0472057794599636
Energy: 1.4466504703278558
Energy: 0.9756083082269541
Energy: 1.2110416737610648
Energy: 0.9756083082269541
Energy: 1.4748338832303067
Energy: 0.9736494536590364
Energy: 1.2095110296643148
Energy: 0.9736494536599604
Energy: 1.473139594146522
Energy: 1.0651454625994023
Energy: 1.2312955445763796
Energy: 1.0651454703251249
Energy: 1.4635352796214225
Energy: 1.195524247363153
Energy: 1.2656465769524805
Energy: 1.195524247363153
Energy: 1.0493341797537712
Energy: 0.964829989933019
Energy: 1.454749053422525
Energy: 0.9648299899357908
Energy: 1.0492456949630742
Energy: 0.9644185932475674
Energy: 1.4154706320285901
Energy: 0.9644185932484913
Energy: 1.1987210989848185
Energy: 0.9646816897496799
Energy: 1.2823977077409865
Energy: 0.9646816897496799
Energy: 1.0599978335802271
Energy: 0.9648758942819863
Energy: 1.2826004258220867
Energy: 0.9648758942801384
Energy: 1.0636722316674814
Energy: 0.9416306541765193
Energy: 1.4158719812865084
Energy: 0.9416306541774432
Energy: 1.164296468176812
Energy: 1.164899752369587
Energy: 1.3726707506826017
Energy: 1.164899752369587
Energy: 1.2989716377636964
Energy: 0.9414001672865989
Energy: 1.4164083090940582
Energy: 0.9414001672856751
Energy: 1.3037682223713318
Energy: 0.9645376923082294
Energy: 1.4741976035929671
Energy: 0.9645376923073055
Energy: 1.443330646583214
Energy: 0.9645243972787322
Energy: 1.4729516924486619
Energy: 0.9645243971642131
Energy: 1.2656465769534044
Energy: 1.1030368274437998
Energy: 1.4162439242335823
Energy: 1.1030368274437998
Energy: 1.4542435608671842
Energy: 1.1025644163134234
Energy: 1.0494131661621129
Energy: 1.1025644163161952
Energy: 1.459799291659634
Energy: 1.0671136546934945
Energy: 1.04920619269551
Energy: 1.0671136546934945
Energy: 1.282397707731769
Energy: 1.068090444348805
Energy: 0.9417253988492793
Energy: 1.068090444340511
Energy: 1.2826004258202386
Energy: 0.9738546646368424
Energy: 0.973924672435993
Energy: 0.9738546646359185
Energy: 1.5305120861210062
Energy: 0.9735660405765978
Energy: 0.9740568625264919
Energy: 0.9735660405756739

minimum gb energy = 0.9414001672856751 eV
minimum distance =  2.65692058138144 Angstroms
sigma value = 25


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

Energy: 1.536130026957504
Energy: 0.8533240004720746
Energy: 0.8528553272589677
Energy: 0.9162233548483933
Energy: 1.5016074554243852
Energy: 0.8539503672094603
Energy: 1.0182042828546052
Energy: 0.8539503672101817
Energy: 1.4833126639605243
Energy: 0.8530535475687386
Energy: 1.0184247365538281
Energy: 0.8530535475709029
Energy: 1.1819469866491579
Energy: 0.8576366413703409
Energy: 1.26872293051441
Energy: 0.8576366413696195
Energy: 1.490993563840766
Energy: 0.9609373300644618
Energy: 1.3510606049246237
Energy: 0.9609373300673474
Energy: 1.184489741679821
Energy: 0.961532842382255
Energy: 1.3537557946384882
Energy: 0.961532842382255
Energy: 1.1825922449727102
Energy: 0.9608524725059885
Energy: 1.5025290328499228
Energy: 0.9608524725045456
Energy: 1.2692909500000358
Energy: 1.0229695989545522
Energy: 1.3440750313537901
Energy: 1.022969598955995
Energy: 1.0192585599860187
Energy: 0.8529582042697507
Energy: 1.4921286405012641
Energy: 0.852958204269062
Energy: 1.0193266246188033
Energy: 0.8540405387538016
Energy: 1.3533341068689877
Energy: 0.8540405387530802
Energy: 0.8528420593553429
Energy: 0.8531692962353085
Energy: 1.3554175496355911
Energy: 0.8531692962353085
Energy: 0.853134816804879
Energy: 0.8537484251710333
Energy: 1.5033060533223255
Energy: 0.8537484251724761
Energy: 0.8526424627708791
Energy: 0.856407636520824
Energy: 1.486409471089062
Energy: 0.8564076365215454
Energy: 1.01911031397979
Energy: 1.0188022894932427
Energy: 1.4754855747873108
Energy: 1.018802289490357
Energy: 1.017932383841615
Energy: 0.8525685481977711
Energy: 1.5026610698234324
Energy: 0.8525685481963281
Energy: 1.0181130096311115
Energy: 0.854588011204453
Energy: 1.4875520468100647
Energy: 0.854588011204453
Energy: 1.3518015060701654
Energy: 0.8555748528715137
Energy: 1.48823052157627
Energy: 0.8555748528751208
Energy: 1.0167664895850992
Energy: 0.9617257026973648
Energy: 1.3534329366215934
Energy: 0.9617257026980861
Energy: 1.361080409350465
Energy: 0.9627137619392098
Energy: 1.1829757267415908
Energy: 0.9627137619384883
Energy: 1.5001740458231834
Energy: 0.9604165762527601
Energy: 1.1834524660724415
Energy: 0.9604165762520388
Energy: 1.3587789986595151
Energy: 0.8528414636802119
Energy: 1.019258248921157
Energy: 0.852841463682376
Energy: 1.491250316627432
Energy: 0.8519229527822109
Energy: 0.8520629068386876
Energy: 0.8519229527807679
Energy: 1.4791085653263163
Energy: 0.8565962022738939
Energy: 1.051141971337311
Energy: 0.8565962022731723
Energy: 1.3586267182670855
Energy: 0.8530114721602813
Energy: 0.8528331651733371
Energy: 0.8530114721624455
Energy: 1.5032429810340557
Energy: 0.852082401739512
Energy: 0.8536585187894661
Energy: 0.852082401738069
Energy: 1.4751656762762428
Energy: 0.8533145669405743
Energy: 0.8528352738876978
Energy: 0.8533145669405743

minimum gb energy = 0.8519229527807679 eV
minimum distance =  2.67208726952049 Angstroms
sigma value = 41


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

Energy: 1.6240110121513387
Energy: 0.778046114485827
Energy: 0.7778724600063418
Energy: 0.8352271029068693
Energy: 1.5131966405371482
Energy: 0.7784936515018994
Energy: 0.9106155175026859
Energy: 0.7784936515007166
Energy: 1.5043781840729098
Energy: 0.778038737188503
Energy: 0.9103896314082948
Energy: 0.778038737188503
Energy: 1.3389385771708302
Energy: 0.7841368604230966
Energy: 1.195144160609874
Energy: 0.7841368604201394
Energy: 1.512693397317618
Energy: 0.9107101203447725
Energy: 1.1937500665563348
Energy: 0.9107101203412237
Energy: 1.3318216335365143
Energy: 1.0810218212774647
Energy: 1.1964460245909454
Energy: 1.0810218212780562
Energy: 1.3384252605145657
Energy: 0.870438022340018
Energy: 1.4278377643633138
Energy: 0.8704380223358779
Energy: 1.3476609322937223
Energy: 0.8673734863416757
Energy: 1.1912973555082453
Energy: 0.867373486342267
Energy: 1.0433569567237861
Energy: 1.0807231774839705
Energy: 1.4118926582084679
Energy: 1.080723177483379
Energy: 1.0439297236474643
Energy: 0.7767710520496274
Energy: 1.523958934423376
Energy: 0.7767710520496274
Energy: 0.912659677058935
Energy: 0.7781656473387701
Energy: 1.4789984628666593
Energy: 0.7781656473015355
Energy: 0.9133078021357015
Energy: 0.777101154638323
Energy: 1.5128277656240228
Energy: 0.7771011546353656
Energy: 0.9118315341303129
Energy: 0.7808366882800077
Energy: 1.5066076420377132
Energy: 0.780836688277642
Energy: 0.779222797649903
Energy: 0.7781975448796623
Energy: 1.4161923697285208
Energy: 0.7781975448772964
Energy: 0.7780951671260213
Energy: 0.7778537026085675
Energy: 1.4308431697959527
Energy: 0.7778537026103419
Energy: 0.778725496153712
Energy: 0.7834620208009738
Energy: 1.5168150061637544
Energy: 0.7834620208033395
Energy: 0.9134118712073549
Energy: 0.77801895153593
Energy: 1.5093988052335454
Energy: 0.7780189515713903
Energy: 0.9118328569602804
Energy: 0.9109019483587417
Energy: 1.5207247620309192
Energy: 0.9109019483593331
Energy: 0.911223424708826
Energy: 0.7817126779763274
Energy: 1.3280109227187282
Energy: 0.7817126779798761
Energy: 1.1942088020007795
Energy: 0.7798088845152973
Energy: 1.3252923924343432
Energy: 0.7798088845099742
Energy: 1.189177464401404
Energy: 0.7767272694984443
Energy: 1.4218963628405972
Energy: 0.7767272695001918
Energy: 1.1945077746998185
Energy: 0.7776335137479683
Energy: 1.3364525359735142
Energy: 0.777633513694173
Energy: 1.4121411346649253
Energy: 0.8669587121065846
Energy: 1.33034248665212
Energy: 0.8669587121054017
Energy: 1.193644175769838
Energy: 0.7766494651919151
Energy: 1.1894812268163153
Energy: 0.7766494652740733
Energy: 1.4190732582926753
Energy: 0.9145123142091504
Energy: 1.0431475328701503
Energy: 0.9145123142020529
Energy: 1.4224810326570783
Energy: 0.7794481682615949
Energy: 1.1896454324259553
Energy: 0.7794481682633424
Energy: 1.421727372719517
Energy: 0.7820824380254392
Energy: 0.9117777430498969
Energy: 0.7820824380272137
Energy: 1.5129269027897607
Energy: 0.9097023248676367
Energy: 0.910098129899366
Energy: 0.909702324870594
Energy: 1.4166110025022287
Energy: 0.7779461633036298
Energy: 0.9129426950046905
Energy: 0.7779461633006725
Energy: 1.4185301573197369
Energy: 0.7840037622456083
Energy: 0.7793103360340484
Energy: 0.7840037622450168
Energy: 1.5227887592886893
Energy: 0.7779148240665431
Energy: 0.7774327885093335
Energy: 0.7779148240647689
Energy: 1.5088936089224387
Energy: 0.7782773553802267
Energy: 0.7789694291230913
Energy: 0.7782773553814096

minimum gb energy = 0.7766494651919151 eV
minimum distance =  2.67671042374051 Angstroms
sigma value = 15


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

Energy: 1.4888037099985492
Energy: 0.7232336553068796
Energy: 0.7235777551163858
Energy: 0.7730217725883417
Energy: 1.4562040450860363
Energy: 0.7230328077903054
Energy: 0.8416769843904214
Energy: 0.7230328077888024
Energy: 1.544790236107441
Energy: 0.7230424851864282
Energy: 0.8399295963054357
Energy: 0.7230424851864282
Energy: 1.4160482488086745
Energy: 0.7834574254518015
Energy: 1.0777162498122237
Energy: 0.7834574254548077
Energy: 1.5491245101000517
Energy: 0.7750234913639855
Energy: 1.0766359673813304
Energy: 0.7750234913614805
Energy: 1.4180141858867283
Energy: 0.7210167514401108
Energy: 1.078344767110133
Energy: 0.721016751443117
Energy: 1.2426923354636805
Energy: 0.721369127075356
Energy: 1.29547952609849
Energy: 0.7213691270668384
Energy: 1.393081245880132
Energy: 0.8621384238920232
Energy: 1.1238719264059616
Energy: 0.8621384238915223
Energy: 1.2432617541405666
Energy: 0.7968003279201369
Energy: 1.2923975877737603
Energy: 0.7968003279176317
Energy: 1.24184501674414
Energy: 0.721683387722335
Energy: 1.4581318076053662
Energy: 0.7216833876878086
Energy: 1.0729253155580807
Energy: 0.722625751257945
Energy: 1.3675715489016214
Energy: 0.7226257512634564
Energy: 1.0085274432735407
Energy: 0.7205724899376297
Energy: 1.447665531841926
Energy: 0.7205724899421391
Energy: 1.074407107019702
Energy: 0.7210240730437453
Energy: 1.4835136061712462
Energy: 0.721024073052764
Energy: 0.8417928783993376
Energy: 0.726307686401064
Energy: 1.3367510393282895
Energy: 0.726307686400563
Energy: 0.8366031756891742
Energy: 0.7199829707079911
Energy: 1.5649228114977372
Energy: 0.719982970704985
Energy: 0.840329599974647
Energy: 0.7254745966058227
Energy: 1.4947568485192675
Energy: 0.7254745966048204
Energy: 0.7760915242572003
Energy: 0.7288313115687534
Energy: 1.4877842066239033
Energy: 0.7288313115677513
Energy: 0.7734210020768186
Energy: 0.7734604769426482
Energy: 1.5239214977424884
Energy: 0.7734604769441512
Energy: 0.7758206306973865
Energy: 0.7226060766234828
Energy: 1.3775618809975279
Energy: 0.7226060766239838
Energy: 0.8874844176960571
Energy: 0.7209045704768721
Energy: 1.518283755974059
Energy: 0.7209045704773731
Energy: 0.885990488835546
Energy: 0.8870531778844487
Energy: 1.519077774804868
Energy: 0.8870531778834467
Energy: 0.8885753211482927
Energy: 0.7271025902005832
Energy: 1.4162961334751294
Energy: 0.727102590197076
Energy: 1.0865311987719666
Energy: 0.7232150494823196
Energy: 1.416575581579036
Energy: 0.7232150494838229
Energy: 1.081959572863293
Energy: 0.7780724714160411
Energy: 1.450267151033667
Energy: 0.7780724714110306
Energy: 1.0837873448477013
Energy: 0.7239812102470549
Energy: 1.2436918900408598
Energy: 0.7239812102540696
Energy: 1.2795267007925604
Energy: 0.7976078329989332
Energy: 1.4343366072051997
Energy: 0.7976078331061108
Energy: 1.1339615462453974
Energy: 0.7975249239925348
Energy: 1.2876508065160306
Energy: 0.7975249239925348
Energy: 1.2912592360722581
Energy: 0.9111246357049683
Energy: 1.2480590412854735
Energy: 0.9111246356924422
Energy: 1.3396657537936614
Energy: 0.9946352042077847
Energy: 1.2910745922287639
Energy: 0.9946352042052794
Energy: 1.334342926708622
Energy: 0.7207742858302253
Energy: 1.0787858943205801
Energy: 0.7207742857881377
Energy: 1.39379915349772
Energy: 0.8952722816389279
Energy: 1.008823432028336
Energy: 0.8952722816429363
Energy: 1.3382195987933283
Energy: 0.7276758399097496
Energy: 1.076405646951037
Energy: 0.7276758399102506
Energy: 1.4840501843100364
Energy: 0.7772038735781558
Energy: 0.8421308662394988
Energy: 0.7772038735796589
Energy: 1.551835009747008
Energy: 0.7770476022847717
Energy: 0.8396631239776531
Energy: 0.7770476022837695
Energy: 1.4902877172886086
Energy: 0.8341837014368344
Energy: 0.7761141707113666
Energy: 0.8341837014368344
Energy: 1.546253696545062
Energy: 0.7228547406589758
Energy: 0.727783360107793
Energy: 0.7228547406579736
Energy: 1.4175782226609195
Energy: 0.7235934079901248
Energy: 0.7295397451224983
Energy: 0.7235934079866176

minimum gb energy = 0.719982970704985 eV
minimum distance =  2.6753133703588 Angstroms
sigma value = 85


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

Energy: 1.5417004919525852
Energy: 0.6570844240617171
Energy: 0.6569563042444213
Energy: 0.7543615651199571
Energy: 1.475554612726875
Energy: 0.6584294187431481
Energy: 0.7547305580731325
Energy: 0.6584294187427133
Energy: 1.4370655446818013
Energy: 0.6581233750531276
Energy: 0.7547806115801469
Energy: 0.658123375052693
Energy: 1.2809777581992343
Energy: 0.7054090201530355
Energy: 0.970162337640163
Energy: 0.705409020162576
Energy: 1.4577804292913001
Energy: 0.7046077194703053
Energy: 0.9693189322093918
Energy: 0.7046077194707399
Energy: 1.2882968708513043
Energy: 0.7054636509816591
Energy: 0.9701126275313143
Energy: 0.7054636509803554
Energy: 1.2858030351240688
Energy: 0.6574098765440066
Energy: 1.169709444238102
Energy: 0.657409876543572
Energy: 1.4173091051640274
Energy: 0.6563546447767926
Energy: 1.009113430722243
Energy: 0.6563546447859181
Energy: 1.2949833735668632
Energy: 0.6562138436993318
Energy: 1.1716143423412775
Energy: 0.6562138436997663
Energy: 1.2953319462710813
Energy: 0.7885017245758299
Energy: 1.3157282127068797
Energy: 0.7885017245740915
Energy: 1.1709920418764255
Energy: 0.6562172094643207
Energy: 1.2219215883706571
Energy: 0.656217209554669
Energy: 1.1236057152600587
Energy: 0.6561782258250267
Energy: 1.3165613955550892
Energy: 0.6561782258258958
Energy: 1.1646709215674609
Energy: 0.6569272201325023
Energy: 1.3682973661233606
Energy: 0.6569272201320677
Energy: 0.9622839370832023
Energy: 0.6579794460299945
Energy: 1.2015920916294
Energy: 0.6579794460395547
Energy: 0.9023908291373834
Energy: 0.8087560187049188
Energy: 1.45928855918433
Energy: 0.8087560187057878
Energy: 0.9630456425189499
Energy: 0.6566675563372135
Energy: 1.3624181680448493
Energy: 0.6566675563372135
Energy: 0.7629698894176539
Energy: 0.6571227422192863
Energy: 1.3611168809044196
Energy: 0.6571227422184173
Energy: 0.757699537308264
Energy: 0.7172428911030757
Energy: 1.4149787404043797
Energy: 0.717242891103925
Energy: 0.7635535049506508
Energy: 0.6562191237879491
Energy: 1.4955090154056745
Energy: 0.6562191237866454
Energy: 0.7038409555787448
Energy: 0.6564825483539044
Energy: 1.4957474057171265
Energy: 0.6564825483547734
Energy: 0.7039984689142025
Energy: 0.7038326569626642
Energy: 1.5361422532284008
Energy: 0.703832656961795
Energy: 0.7041325039142021
Energy: 0.653142531713107
Energy: 1.3977346383758293
Energy: 0.653142531713107
Energy: 0.80246550864357
Energy: 0.653155950792065
Energy: 1.5145730204086267
Energy: 0.6531559507911959
Energy: 0.8018040762601139
Energy: 0.6562852172434748
Energy: 1.526208185424023
Energy: 0.6562852172417366
Energy: 0.8021120227518709
Energy: 0.6565545460701072
Energy: 1.3246604660593213
Energy: 0.656554546066216
Energy: 0.9780191704519854
Energy: 0.6568472282303629
Energy: 1.527151136919418
Energy: 0.6568472282312321
Energy: 0.9774196408449193
Energy: 0.655933539533173
Energy: 1.4180101035547075
Energy: 0.655933539533173
Energy: 1.1640025577619904
Energy: 0.7124543088505861
Energy: 1.2866110695993316
Energy: 0.7124543088518701
Energy: 1.1642182677099477
Energy: 0.655820731165336
Energy: 1.4161896976737889
Energy: 0.6558207311666397
Energy: 1.1645019237449492
Energy: 0.6558665813832151
Energy: 1.2954975265312705
Energy: 0.6558665810839444
Energy: 1.3305664733958715
Energy: 0.6560121223882085
Energy: 1.1184802669858607
Energy: 0.6560121203258461
Energy: 1.2073745772584257
Energy: 0.8891417732441542
Energy: 1.324671491264482
Energy: 0.889141773245458
Energy: 1.3165127025242835
Energy: 0.9386074090303292
Energy: 1.1233587155150437
Energy: 0.9386074090298948
Energy: 1.4718264288802785
Energy: 0.6570517651037938
Energy: 1.1227273604811265
Energy: 0.6570517658938951
Energy: 1.2178771794031231
Energy: 0.6577389551079904
Energy: 1.181561278489818
Energy: 0.6577389550675965
Energy: 1.461579432725626
Energy: 0.6562984644789194
Energy: 0.9702993104252412
Energy: 0.6562984644780502
Energy: 1.4871650460045631
Energy: 0.6572308428897452
Energy: 0.9692568738628923
Energy: 0.6572308428893108
Energy: 1.3618285898272011
Energy: 0.6567146987507522
Energy: 0.7549501231775146
Energy: 0.6567146987694381
Energy: 1.4410931858560743
Energy: 0.7042611451558793
Energy: 0.756772023137896
Energy: 0.7042611451554447
Energy: 1.4954285726218424
Energy: 0.6570476591275844
Energy: 0.7551789035999698
Energy: 0.657047659131041
Energy: 1.3566693826436498
Energy: 0.6570709321053604
Energy: 0.657532268912356
Energy: 0.6570709321044912
Energy: 1.5469416111016159
Energy: 0.6570514986104503
Energy: 0.6574818696403281
Energy: 0.6570514986113195
Energy: 1.431136670108913
Energy: 0.657173839270076
Energy: 0.6573669960090641
Energy: 0.6571738392705105

minimum gb energy = 0.653142531713107 eV
minimum distance =  2.67142800919258 Angstroms
sigma value = 113


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

Energy: 0.012322594563347682
Energy: 0.6744340412731022
Energy: 1.2074247860119662
Energy: 0.01305231916650413
Energy: 0.6829625107998194
Energy: 0.15966147521240756
Energy: 0.6857719717601202
Energy: 0.1596614752114425
Energy: 0.015632940551580203
Energy: 0.15666751945345883
Energy: 0.6839514337190978
Energy: 0.15666751945345883
Energy: 0.014998062485172521
Energy: 0.1569483494833291
Energy: 0.6807300578819655
Energy: 0.15694834948267952
Energy: 0.6830670372503593
Energy: 0.1562569894733471
Energy: 0.6814358456816634
Energy: 0.15625698947301303
Energy: 0.01595037413737016
Energy: 0.15655233040620786
Energy: 0.6837154987269682
Energy: 0.15655233040685743

minimum gb energy = 0.012322594563347682 eV
minimum distance =  2.90589546997403 Angstroms
sigma value = 1