Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5937291532754903
cohesive_energy=4.272647465988353
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01671124503953727
Energy: 0.01748932801643263
Energy: 0.30193431853881425
Energy: 0.01748932801643263
Energy: 0.017489328017067294
Energy: 0.9749794336123112
Energy: 0.01748932801643263
Energy: 0.9749794336123112
Energy: 0.30193431853941366
Energy: 0.01748932801643263
Energy: 0.01671124503953727
Energy: 0.017489328017067294
Energy: 0.017489328017067294
Energy: 0.9749794336123112
Energy: 0.017489328017067294
Energy: 0.9749794336123112

minimum gb energy = 0.01671124503953727 eV
minimum distance =  2.49304365913004 Angstroms
sigma value = 1


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

Energy: 1.1412951978930679
Energy: 1.1660623160381869
Energy: 1.141357268361193
Energy: 1.1660623160381869
Energy: 1.0248193240931536
Energy: 1.0141261523994505
Energy: 1.03071695012667
Energy: 1.0141261524017593
Energy: 0.996168830330756
Energy: 1.1465956374310813
Energy: 1.0457402944053722
Energy: 1.1465956374310813
Energy: 0.9961356832712505
Energy: 1.0426992553526573
Energy: 1.0141216542868365
Energy: 1.0426992558880952
Energy: 0.9989408326796034
Energy: 1.1114765045410115
Energy: 1.0266686664137559
Energy: 1.1114765045410115
Energy: 1.0133349845996829
Energy: 1.0060227178585721
Energy: 0.9950173082877027
Energy: 1.0060227178531842
Energy: 1.0287244219517901
Energy: 1.0935965450132292
Energy: 1.01292706400602
Energy: 1.0935965450132292
Energy: 0.9946134196085583
Energy: 1.1164638421760185
Energy: 0.9804722473616193
Energy: 1.1164638421806368
Energy: 1.013453228643744
Energy: 1.0155614935033705
Energy: 1.0040789363705296
Energy: 1.0155614935033705
Energy: 0.9935193105759812
Energy: 1.145168487252018
Energy: 0.9825778071997806
Energy: 1.145168487252018
Energy: 1.0038143932024437
Energy: 1.0605645226561335
Energy: 1.0137641124345125
Energy: 1.0605645226538245
Energy: 1.1001162826343762
Energy: 1.1157543553221485
Energy: 1.0166829872735224
Energy: 1.1157543553229181
Energy: 1.0101703687973012
Energy: 1.0585605440431884
Energy: 1.028785438499482
Energy: 1.0585605440408794
Energy: 1.0313738254587501
Energy: 1.1632153081376584
Energy: 1.0033085125733665
Energy: 1.1632153081368888
Energy: 1.0060512886739394
Energy: 1.116568186218571
Energy: 1.0126296015784817
Energy: 1.116568186218571
Energy: 1.0234857707165725
Energy: 1.0290910520307504
Energy: 1.0104724715160793
Energy: 1.0290910520369079
Energy: 1.016709008139873
Energy: 1.146788778313904
Energy: 0.9898648680304261
Energy: 1.146788778313904
Energy: 1.030671988411695
Energy: 1.057791236164384
Energy: 1.026150745453624
Energy: 1.0577912361651536
Energy: 0.9686034030559943
Energy: 1.1682299305657802
Energy: 1.020586664699398
Energy: 1.1682299305665498
Energy: 1.0116919958805588
Energy: 1.0144100160593108
Energy: 1.0156292016458426
Energy: 1.0144100160593108
Energy: 0.9955699472886878
Energy: 1.1465422785278057
Energy: 0.9875413983587497
Energy: 1.1465422785278057
Energy: 1.0140784029815932
Energy: 1.023735511292487
Energy: 1.0056482637984698
Energy: 1.0237355112917177
Energy: 1.0050829886632624
Energy: 1.1111666553966633
Energy: 0.99631660989031
Energy: 1.1111666553966633
Energy: 1.0031521694039078
Energy: 1.0947832012627186
Energy: 1.0125127492113273
Energy: 1.0947832012634884
Energy: 1.013292923659444
Energy: 1.0060677624398342
Energy: 1.0286570939547393
Energy: 1.006067762440604
Energy: 1.0232802574302462
Energy: 1.1106639305374684
Energy: 1.0098746972095813
Energy: 1.110663930538238
Energy: 0.9950333986036041
Energy: 1.018616832728965
Energy: 1.0129420075247797
Energy: 1.0186168327274254
Energy: 0.9983736947007799
Energy: 1.146744617052159
Energy: 1.1155728405968754
Energy: 1.146744617052159
Energy: 1.0238027294482246
Energy: 1.4756511543167252
Energy: 1.0036356347254571
Energy: 1.4756511543167252
Energy: 1.1417542191943093
Energy: 1.1692227450684904
Energy: 0.9856273519682154
Energy: 1.1692227450684904
Energy: 1.0263200133402612
Energy: 1.0182177607731553
Energy: 1.0100669277593046
Energy: 1.0182177607731553
Energy: 1.0080695532806672
Energy: 1.149180786216355
Energy: 1.0156071738385888
Energy: 1.149180786216355
Energy: 0.9992626312136978
Energy: 1.0230681318202541
Energy: 1.017107107818748
Energy: 1.0230681318217936

minimum gb energy = 0.9686034030559943 eV
minimum distance =  2.31537398514618 Angstroms
sigma value = 1


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

Energy: 1.2092814468681932
Energy: 1.2578219981831884
Energy: 1.2120626038731588
Energy: 1.2578219981823107
Energy: 1.0653864110717841
Energy: 1.51249872541656
Energy: 1.0533378971593208
Energy: 1.5124987254174376
Energy: 1.0500471043139856
Energy: 1.2572651882281234
Energy: 1.0529517476534918
Energy: 1.2572651882272459
Energy: 1.0584566799086805
Energy: 1.0653322227371413
Energy: 1.0517155963698155
Energy: 1.065332222707303
Energy: 1.058768390217523
Energy: 1.1806613268194925
Energy: 1.0466475404722435
Energy: 1.1806613269326633
Energy: 1.1871878915005136
Energy: 1.1783813649724724
Energy: 1.0585836690594592
Energy: 1.1783813649733499
Energy: 1.0651486873201057
Energy: 1.0657097831068865
Energy: 1.0515973564550607
Energy: 1.0657097831218056
Energy: 1.0346686643954237
Energy: 1.3139373149686635
Energy: 1.0362501052249744
Energy: 1.313937314967786
Energy: 1.0589585985346532
Energy: 1.079150684472097
Energy: 1.0532691365738152
Energy: 1.079150684472097
Energy: 1.0593368988406608
Energy: 1.314008244383672
Energy: 1.0027971858468696
Energy: 1.3140082443827945
Energy: 1.0652711336582743
Energy: 1.2340569885397057
Energy: 1.067818614373726
Energy: 1.2340569885414607
Energy: 1.0477639871428877
Energy: 1.2416840530191229
Energy: 1.0537352408641159
Energy: 1.2416840530200006
Energy: 1.0783995523638454
Energy: 1.180337817264677
Energy: 1.059315400809493
Energy: 1.180337817262922
Energy: 1.0780762892755524
Energy: 1.1792727190361774
Energy: 1.0464277603112113
Energy: 1.1792727190370547
Energy: 1.0474977468464566
Energy: 1.2416224242108642
Energy: 1.0530561132801317
Energy: 1.2416224242108642
Energy: 1.064700861971522
Energy: 1.2336089661828773
Energy: 1.0676824042273059
Energy: 1.2336089661837548
Energy: 1.0587999857689712
Energy: 1.3140333476662664
Energy: 1.013619530343716
Energy: 1.3140333476627564
Energy: 1.058976140245441
Energy: 1.0783797399035995
Energy: 1.0531846229873514
Energy: 1.0783797399035995
Energy: 1.0347566239176724
Energy: 1.3138652426558872
Energy: 1.0358030677997883
Energy: 1.3138652426558872
Energy: 1.0646948239671348
Energy: 1.0657962391542546
Energy: 1.0662169037546307
Energy: 1.0657962391542546
Energy: 1.1871905707370702
Energy: 1.178332609684366
Energy: 1.0357503024245873
Energy: 1.178332609684366
Energy: 1.058854273157196
Energy: 1.1797361846154693
Energy: 1.0631918894087464
Energy: 1.179736184616347
Energy: 1.0588587110449352
Energy: 1.0647512888248316
Energy: 1.0516424005922504
Energy: 1.0647512888265869
Energy: 1.0500460174316317
Energy: 1.2572382341351
Energy: 1.0535610054383502
Energy: 1.2572382341368553
Energy: 1.0651902461978007
Energy: 1.5122185060750848
Energy: 1.0531935526763825
Energy: 1.5122185060759623
Energy: 1.2092814468681932
Energy: 1.2578219981823107
Energy: 1.141916163059521
Energy: 1.2578219981823107
Energy: 1.0653864110717841
Energy: 1.51249872541656
Energy: 1.0533378971610758
Energy: 1.51249872541656
Energy: 1.0500471043139856
Energy: 1.2572651882281234
Energy: 1.0529517476543693
Energy: 1.2572651882272459
Energy: 1.0584566799086805
Energy: 1.0653322227371413
Energy: 1.071213457587888
Energy: 1.0653322227520208

minimum gb energy = 1.0027971858468696 eV
minimum distance =  2.27764225809224 Angstroms
sigma value = 25


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

Energy: 1.1822895167102598
Energy: 1.3199655860468644
Energy: 1.2960819966113677
Energy: 1.3199655860468644
Energy: 1.1414237426941258
Energy: 1.1219552354166313
Energy: 1.128629998884259
Energy: 1.1219552354258129
Energy: 1.0908249520481053
Energy: 1.3189530536894867
Energy: 1.1257452537970314
Energy: 1.3189530536884666
Energy: 1.1091998690518792
Energy: 1.1461253302324153
Energy: 1.1263291751232114
Energy: 1.1461253302344558
Energy: 1.126623517665069
Energy: 1.2595517267559277
Energy: 1.1140840126542855
Energy: 1.2595517267559277
Energy: 1.2734821683092308
Energy: 1.3047392817672323
Energy: 1.1406963653657958
Energy: 1.3047392817672323
Energy: 1.1319761642280506
Energy: 1.132247944924863
Energy: 1.1663562692546254
Energy: 1.132247944924863
Energy: 1.31229298739507
Energy: 1.3213785036774544
Energy: 1.1216099211105564
Energy: 1.3213785036774544
Energy: 1.1668021879266832
Energy: 1.2255638833091707
Energy: 1.142113290048226
Energy: 1.2255638833091707
Energy: 1.1276240910301072
Energy: 1.296535209512907
Energy: 1.097310983140844
Energy: 1.2965352095118867
Energy: 1.1137345004037136
Energy: 1.2746135031780554
Energy: 1.1302489560344589
Energy: 1.2746135031688737
Energy: 1.1143275731693518
Energy: 1.2747518053320541
Energy: 1.129137898915828
Energy: 1.2747518053310338
Energy: 1.125801084036671
Energy: 1.2660553544578055
Energy: 1.0960172521359306
Energy: 1.2660553544588256
Energy: 1.1677994775481917
Energy: 1.208870001708094
Energy: 1.1403935858634777
Energy: 1.2088700017111544
Energy: 1.045068474439584
Energy: 1.2755813368780085
Energy: 1.1193043304746322
Energy: 1.275581336879029
Energy: 1.1282151305258936
Energy: 1.1323679120937549
Energy: 1.1273865728506882
Energy: 1.1323679120917145
Energy: 1.0818855503029656
Energy: 1.3214388658250003
Energy: 1.0576089577447234
Energy: 1.3214388658239802
Energy: 1.1267415547247936
Energy: 1.2300047845595101
Energy: 1.1108793883537238
Energy: 1.2300047845595101
Energy: 1.1013573859445251
Energy: 1.1558337171390507
Energy: 1.125515494589222
Energy: 1.1558337171390507
Energy: 1.1409217186890157
Energy: 1.2445920879843138
Energy: 1.1287641565865956
Energy: 1.2445920884350539
Energy: 1.1465027226308002
Energy: 1.2161569173073412
Energy: 1.1314249122823827
Energy: 1.2161569173073412
Energy: 1.1768944832209636
Energy: 1.3276983235206183
Energy: 1.1105060333526082
Energy: 1.3276983235206183
Energy: 1.1404484358498044
Energy: 1.1502970484239146
Energy: 1.1283180679421116
Energy: 1.1502970484330963
Energy: 1.0890366764090162
Energy: 1.3213844553938432
Energy: 1.1280649395146236
Energy: 1.3213844553938432
Energy: 1.1290890337123611
Energy: 1.14763737141835
Energy: 1.1249585989894808
Energy: 1.1476373714152894

minimum gb energy = 1.045068474439584 eV
minimum distance =  2.28531178879504 Angstroms
sigma value = 9


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

Energy: 1.226245517088316
Energy: 1.2779339998803354
Energy: 1.3822700910870802
Energy: 1.277933999938725
Energy: 1.239571924506877
Energy: 1.2003196015495514
Energy: 1.1926749176392382
Energy: 1.2003196015495514
Energy: 1.1509360461317542
Energy: 1.301210332440177
Energy: 1.1765145467262481
Energy: 1.301210332646987
Energy: 1.2238181660895724
Energy: 1.2576007728269747
Energy: 1.1855712933096942
Energy: 1.2576007728379002
Energy: 1.30331742768405
Energy: 1.2818868911686974
Energy: 1.2119158217480075
Energy: 1.2818868911686974
Energy: 1.1084587697663546
Energy: 1.3589872222690416
Energy: 1.2077111006572783
Energy: 1.3589872222690416
Energy: 1.2243998930338411
Energy: 1.200789931504217
Energy: 1.2005724263324833
Energy: 1.200789931504217
Energy: 1.2005959450518793
Energy: 1.3585555743036575
Energy: 1.161142346743079
Energy: 1.3585555743048743
Energy: 1.224086743782676
Energy: 1.4041420331770549
Energy: 1.2127186889263906
Energy: 1.4041420329094492
Energy: 1.2139074428615126
Energy: 1.3580134390772998
Energy: 1.1856084151727324
Energy: 1.3580134390785168
Energy: 1.1689165713905811
Energy: 1.2960625118508071
Energy: 1.1763838672926457
Energy: 1.29606251184959
Energy: 1.2237603028984245
Energy: 1.2999759405961
Energy: 1.1852557232726662
Energy: 1.2999759406009679
Energy: 1.1073220101012426
Energy: 1.3259559242563441
Energy: 1.0939675692403792
Energy: 1.3259559242441739
Energy: 1.2728180154063082
Energy: 1.2128411089518034
Energy: 1.186523004189619
Energy: 1.2128411089518034
Energy: 1.1073300239813317
Energy: 1.3006097926818534
Energy: 1.094076903310233
Energy: 1.3006097927000813
Energy: 1.22305967014707
Energy: 1.2993783015858689
Energy: 1.1856551695384348
Energy: 1.2993783016077753
Energy: 1.1677226803621312
Energy: 1.2956518454629036
Energy: 1.176302475383916
Energy: 1.2956518454629036
Energy: 1.2138854467591358
Energy: 1.3580505785731782
Energy: 1.1853544399373577
Energy: 1.3580505785731782
Energy: 1.2244859662543675
Energy: 1.4040702429637417
Energy: 1.2131009456184314
Energy: 1.4040702429661758
Energy: 1.2003826574039296
Energy: 1.3582871093500175
Energy: 1.1613218614494019
Energy: 1.3582871093500175
Energy: 1.2242098820567502
Energy: 1.2008202919063107
Energy: 1.2015734755819472
Energy: 1.2008202919063107

minimum gb energy = 1.0939675692403792 eV
minimum distance =  2.35395085909566 Angstroms
sigma value = 25


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

Energy: 1.2021563609624515
Energy: 1.4263030726606836
Energy: 1.5093270294821173
Energy: 1.4263030726606836
Energy: 1.1659625004411651
Energy: 1.5699961673781566
Energy: 1.1381869425632913
Energy: 1.5699961673766516
Energy: 1.1375918548340958
Energy: 1.498137461192581
Energy: 1.136702429750738
Energy: 1.498137461194086
Energy: 1.2029158167899274
Energy: 1.41009117188531
Energy: 1.3402877658202987
Energy: 1.410091171886815
Energy: 1.2676260618338113
Energy: 1.1655354287679458
Energy: 1.2371722444605897
Energy: 1.1655354287679458
Energy: 1.1416220202442169
Energy: 1.4958698435037336
Energy: 1.1372198928840425
Energy: 1.4958698435037336
Energy: 1.135780777466153
Energy: 1.2930878117134443
Energy: 1.139973137825979
Energy: 1.293087811710434
Energy: 1.33993411860672
Energy: 1.411455858355116
Energy: 1.2054931349098068
Energy: 1.410812435550645
Energy: 1.1361967395947836
Energy: 1.354363958329886
Energy: 1.166619467602366
Energy: 1.354363958329886
Energy: 1.3477036758055754
Energy: 1.4700782206819367
Energy: 1.1391447653133753
Energy: 1.4700782206819367
Energy: 1.1904989078439745
Energy: 1.4586281087864452
Energy: 1.3824350525514644
Energy: 1.4586281087864452
Energy: 1.2238728524582494
Energy: 1.2731541478318635
Energy: 1.3481182165858343
Energy: 1.273154147904073
Energy: 1.258288575002449
Energy: 1.4523768627443114
Energy: 1.1361834900527428
Energy: 1.4523768627382911
Energy: 1.2221489615451029
Energy: 1.2170866718136575
Energy: 1.2041817610493457
Energy: 1.2171793329873732
Energy: 1.244591696235082
Energy: 1.4112945901805507
Energy: 1.3376411729115576
Energy: 1.4112945901805507
Energy: 1.1653745242994942
Energy: 1.3343264583884396
Energy: 1.1411262793868566
Energy: 1.334326598229346
Energy: 1.1375345950520306
Energy: 1.2528347617576685
Energy: 1.3479550684947246
Energy: 1.2528347617576685

minimum gb energy = 1.135780777466153 eV
minimum distance =  2.3382444805223 Angstroms
sigma value = 17


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

Energy: 1.3381332785823559
Energy: 1.3852170421394354
Energy: 1.5719374036054141
Energy: 1.3852170419324175
Energy: 1.3077089830433308
Energy: 1.322859960469154
Energy: 1.1868376163183665
Energy: 1.322859960469154
Energy: 1.26264085061366
Energy: 1.4388983303327911
Energy: 1.1875028490984394
Energy: 1.438898330331939
Energy: 1.188911374061581
Energy: 1.4538576925848723
Energy: 1.2778985621523928
Energy: 1.4538576925848723
Energy: 1.3512345363749212
Energy: 1.4400742256238526
Energy: 1.259210239545472
Energy: 1.4400742256247048
Energy: 1.2166699535886167
Energy: 1.47536903681279
Energy: 1.2512216908406313
Energy: 1.47536903681279
Energy: 1.1918678951362536
Energy: 1.3467844701725216
Energy: 1.1890451836833085
Energy: 1.3467844701733742
Energy: 1.242317648775577
Energy: 1.495404829068738
Energy: 1.214569794147448
Energy: 1.495404829068738
Energy: 1.2193865940304907
Energy: 1.3761671545509535
Energy: 1.3349107077046811
Energy: 1.3761671545501009
Energy: 1.4225516638520344
Energy: 1.375826731258656
Energy: 1.1882460071658298
Energy: 1.375826731258656
Energy: 1.1928476360071572
Energy: 1.3484763438999425
Energy: 1.2654181701406246
Energy: 1.3484763439749152
Energy: 1.2164749379950708
Energy: 1.3254565189227747
Energy: 1.2198430169338699
Energy: 1.32545651892107
Energy: 1.376351810318661
Energy: 1.3307502334990289
Energy: 1.326191612495675
Energy: 1.330750248661671
Energy: 1.194681189616177
Energy: 1.537503802791862
Energy: 1.3129020427881188
Energy: 1.5375038027893047
Energy: 1.3060254137108658
Energy: 1.3300047073154377
Energy: 1.218835304172894
Energy: 1.3300047073154377
Energy: 1.264400388520025
Energy: 1.495498038916496
Energy: 1.243420643159772
Energy: 1.4954980389156438
Energy: 1.1884254353694248
Energy: 1.3677770165303038
Energy: 1.4335538032660686
Energy: 1.3677770165294516
Energy: 1.303186782733037
Energy: 1.3128389115131223
Energy: 1.216680596088173
Energy: 1.3128389115131223
Energy: 1.2595033510567524
Energy: 1.3966011712280884
Energy: 1.2805727105840072
Energy: 1.3966011712297932
Energy: 1.2623572078453527
Energy: 1.4031172562556309
Energy: 1.1897754426789977
Energy: 1.403117256253926
Energy: 1.2614733769689204
Energy: 1.3049105213752663
Energy: 1.261699143175299
Energy: 1.3049105217339734
Energy: 1.2586320923427916
Energy: 1.340963095789013
Energy: 1.418074587064876
Energy: 1.3409630958026515
Energy: 1.249455481041125
Energy: 1.3253505040714977
Energy: 1.1864762772932331
Energy: 1.325350502655422
Energy: 1.2838750326647221
Energy: 1.3956628988719262
Energy: 1.2638624567510062
Energy: 1.395662895512369
Energy: 1.3176183322423802
Energy: 1.435540265586808
Energy: 1.2630577386269544
Energy: 1.4355402655816936
Energy: 1.305536775554268
Energy: 1.3991502530689408
Energy: 1.188052527121109
Energy: 1.3991502530680886
Energy: 1.2611981214915224
Energy: 1.3415392044410084
Energy: 1.467830295872223
Energy: 1.341539204438451
Energy: 1.2416968227855474
Energy: 1.4757684795557207
Energy: 1.2632935666873186
Energy: 1.475768479556573
Energy: 1.440467047552061
Energy: 1.3790357555677146
Energy: 1.1918345103056343
Energy: 1.3790357555668622
Energy: 1.2147061747106782
Energy: 1.395189914029867
Energy: 1.3762816646603915
Energy: 1.3951899140307193

minimum gb energy = 1.1864762772932331 eV
minimum distance =  2.2693687148119 Angstroms
sigma value = 53


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

Energy: 1.1590147003008973
Energy: 1.1588720931856884
Energy: 1.5789615742010585
Energy: 1.1588720931856884
Energy: 1.3424334981640458
Energy: 1.2571249228448214
Energy: 1.2046177572877574
Energy: 1.2571249228428587
Energy: 1.1602809775811824
Energy: 1.3861805978327626
Energy: 1.2099239203273144
Energy: 1.3861805978464994
Energy: 1.1601912056563926
Energy: 1.3856193261087537
Energy: 1.1584066337899444
Energy: 1.3856193261028666
Energy: 1.3421067146431958
Energy: 1.2571839504550144
Energy: 1.2046746124094472
Energy: 1.2571839504550144
Energy: 1.1590147003008973
Energy: 1.1588720931856884
Energy: 1.3397902397721113
Energy: 1.1588720931856884
Energy: 1.3424334981640458
Energy: 1.2571249228467836
Energy: 1.2046177572857948
Energy: 1.2571249228448214
Energy: 1.1602809775811824
Energy: 1.386180597834725
Energy: 1.3722159817964037
Energy: 1.386180597820988
Energy: 1.1601912056563926
Energy: 1.3856193261166034
Energy: 1.1584066337899444
Energy: 1.3856193261067915
Energy: 1.3421067146451584
Energy: 1.2571839504550144
Energy: 1.2046746124094472
Energy: 1.2571839504550144
Energy: 1.1590147003008973
Energy: 1.1588720931856884
Energy: 1.2670061894187472
Energy: 1.1588720931856884
Energy: 1.342433498166008
Energy: 1.2571249228408965
Energy: 1.2046177572877574
Energy: 1.2571249228428587
Energy: 1.1602809775811824
Energy: 1.3861805978504238
Energy: 1.3722159818062156
Energy: 1.3861805978327626

minimum gb energy = 1.1584066337899444 eV
minimum distance =  2.28663723103681 Angstroms
sigma value = 9


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

Energy: 1.2625139492104895
Energy: 1.3990134323063652
Energy: 1.7019688809900388
Energy: 1.3990134323368701
Energy: 1.4412322314823707
Energy: 1.3076515316929118
Energy: 1.2394612822912225
Energy: 1.3076515316943642
Energy: 1.228013754819736
Energy: 1.237179693452904
Energy: 1.2489244995380766
Energy: 1.23717969345363
Energy: 1.2947588039260527
Energy: 1.4368401610895738
Energy: 1.2729357999260018
Energy: 1.4368401610888477
Energy: 1.4417954010723084
Energy: 1.3073547537683874
Energy: 1.244127247832213
Energy: 1.307354753767661
Energy: 1.2371254536150076
Energy: 1.2376928115955188
Energy: 1.2962259747100098
Energy: 1.2376928115911607
Energy: 1.4911980395044302
Energy: 1.5435703138349708
Energy: 1.2770207433463812
Energy: 1.543570313832792
Energy: 1.2460899989381238
Energy: 1.5328530728526744
Energy: 1.359049234355161
Energy: 1.5328530728534009
Energy: 1.230729076243547
Energy: 1.454493951050826
Energy: 1.2454170543067393
Energy: 1.454493951050826
Energy: 1.229143200370778
Energy: 1.2991046593069748
Energy: 1.256069747464129
Energy: 1.2991046593062483
Energy: 1.2482573627967397
Energy: 1.5240976564945288
Energy: 1.4490278467384565
Energy: 1.5240976564959814
Energy: 1.4394776442016197
Energy: 1.3960236527555283
Energy: 1.2335509148041381
Energy: 1.396023657692258
Energy: 1.2306043418922517
Energy: 1.319186817896802
Energy: 1.4026047558894674
Energy: 1.3191868180252933
Energy: 1.3002865289234955
Energy: 1.527414592685215
Energy: 1.268706115044699
Energy: 1.5274145926866671
Energy: 1.2763998733210833
Energy: 1.3799734531948478
Energy: 1.3210574170622162
Energy: 1.379973453191216
Energy: 1.234962658834322
Energy: 1.4539093581816247
Energy: 1.2893896653546228
Energy: 1.4539093581816247
Energy: 1.3853615218142912
Energy: 1.383248179212807
Energy: 1.2500563249841088
Energy: 1.3832481792142595
Energy: 1.251309642154042
Energy: 1.2976117965971747
Energy: 1.3940374559077917
Energy: 1.2976117965971747
Energy: 1.4080941348034237
Energy: 1.3226441993604852
Energy: 1.2395590634516733
Energy: 1.3226441992181948
Energy: 1.253696313418857
Energy: 1.3242604722263036
Energy: 1.3852614077911896
Energy: 1.324260472225577
Energy: 1.3048913583199289
Energy: 1.5182958886866924
Energy: 1.2971235896225861
Energy: 1.5182958886874185
Energy: 1.3418202204267373
Energy: 1.3564482971096978
Energy: 1.2290093754453815
Energy: 1.3564482971096978
Energy: 1.2460030448428938
Energy: 1.3767975343641174
Energy: 1.230766856193968
Energy: 1.3767975344446717
Energy: 1.4928741479305472
Energy: 1.3829538003609612
Energy: 1.2452751284314918
Energy: 1.382953800093085
Energy: 1.2545410741512175
Energy: 1.4973795287726528
Energy: 1.5250168850311696
Energy: 1.4973795287777367
Energy: 1.2574103604400126
Energy: 1.2373043414022897
Energy: 1.2280838049191363
Energy: 1.2373043414001108
Energy: 1.3754628984967698
Energy: 1.3844869828149153
Energy: 1.2938677513413168
Energy: 1.3844869828163677
Energy: 1.2754311602628525
Energy: 1.4371821882052143
Energy: 1.2943969231994803
Energy: 1.4371821882066667
Energy: 1.2754178175239956
Energy: 1.2458552305418311
Energy: 1.226948941408426
Energy: 1.2458552305403785
Energy: 1.2546456827073522
Energy: 1.4979153409822494
Energy: 1.529927896474608
Energy: 1.4979153409815236
Energy: 1.3866237984025118
Energy: 1.3896833462171798
Energy: 1.2442682075484395
Energy: 1.3896833463689127
Energy: 1.237440531145867
Energy: 1.300966129636802
Energy: 1.2288790736513573
Energy: 1.300966129636802
Energy: 1.2553865867136544
Energy: 1.3576796543885705
Energy: 1.2277900889319788
Energy: 1.3576796543892968
Energy: 1.301159773632354
Energy: 1.5289686055827765
Energy: 1.294620817853246
Energy: 1.5289686055994816
Energy: 1.2442663736699706
Energy: 1.4359194492845957
Energy: 1.4922891007312997
Energy: 1.4359194492867744

minimum gb energy = 1.226948941408426 eV
minimum distance =  2.29815060552999 Angstroms
sigma value = 73


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

Energy: 1.3296168217390156
Energy: 1.3295921133602346
Energy: 1.7183394508921046
Energy: 1.3295921133579296
Energy: 1.414176710463568
Energy: 1.3704813010023538
Energy: 1.242867726262805
Energy: 1.3704813010023538
Energy: 1.2595959591159425
Energy: 1.4756816025648338
Energy: 1.276123812764158
Energy: 1.4756816025648338
Energy: 1.2194500983509375
Energy: 1.4889250336741244
Energy: 1.3022429915147788
Energy: 1.4889250336741244
Energy: 1.2789421752567116
Energy: 1.360680864117658
Energy: 1.287242828854324
Energy: 1.360680864117658
Energy: 1.279102271964349
Energy: 1.4535582889755394
Energy: 1.364080443918876
Energy: 1.4535582889329286
Energy: 1.515915842498408
Energy: 1.4106263750314725
Energy: 1.2587547901428355
Energy: 1.4106263750314725
Energy: 1.2276702723525332
Energy: 1.2430862233622302
Energy: 1.4824739728188263
Energy: 1.2430862233530116
Energy: 1.4348265674156238
Energy: 1.243413594612563
Energy: 1.2444783565906383
Energy: 1.2434135946137153
Energy: 1.2794818574320925
Energy: 1.3379758654841536
Energy: 1.279604336337957
Energy: 1.337975865485306
Energy: 1.2251667020269195
Energy: 1.2431449862418043
Energy: 1.399408981347465
Energy: 1.2431449862406518
Energy: 1.4975606545056022
Energy: 1.489567313114206
Energy: 1.219359218701711
Energy: 1.489567313114206
Energy: 1.2761912290008737
Energy: 1.3143499780298153
Energy: 1.418552868567258
Energy: 1.3143499780298153
Energy: 1.4324493520245347
Energy: 1.4274069985511944
Energy: 1.2794611829569622
Energy: 1.4274069985293258
Energy: 1.2374772574876103
Energy: 1.454164270746587
Energy: 1.4836621057051638
Energy: 1.454164270746587
Energy: 1.392692680799317
Energy: 1.2434683309281973
Energy: 1.2280293107926177
Energy: 1.2434683309281973
Energy: 1.3376758211199014
Energy: 1.5316087629869242
Energy: 1.2604973238477784
Energy: 1.5316087629869242
Energy: 1.354819053255295
Energy: 1.4407133425490433
Energy: 1.2604244556299338
Energy: 1.4407133425490433
Energy: 1.3415347598003684
Energy: 1.2442063566611152
Energy: 1.2257165987536305
Energy: 1.2442063566599628
Energy: 1.2733649227826056
Energy: 1.56901477149402
Energy: 1.5517126842070361
Energy: 1.56901477149402
Energy: 1.3841705934883912
Energy: 1.6456461113677168
Energy: 1.2776682183869625
Energy: 1.6456461113677168
Energy: 1.296004014444073
Energy: 1.363320546612085
Energy: 1.3223734313929678
Energy: 1.3633205466132372

minimum gb energy = 1.219359218701711 eV
minimum distance =  2.29704755672275 Angstroms
sigma value = 7


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

Energy: 1.2695555180582645
Energy: 1.2683527712014668
Energy: 1.7437299277697988
Energy: 1.2683527712014668
Energy: 1.4556187482124636
Energy: 1.342406744789639
Energy: 1.2671246243612175
Energy: 1.342406744790454
Energy: 1.2294846396348122
Energy: 1.2694904013415835
Energy: 1.247084873388569
Energy: 1.2694904013423982
Energy: 1.2628742624082083
Energy: 1.3562817645485885
Energy: 1.2666518039493566
Energy: 1.3562817645510328
Energy: 1.2303542652476762
Energy: 1.3256814280219367
Energy: 1.2813936472693432
Energy: 1.3256814280211218
Energy: 1.2339915002201882
Energy: 1.2761476201374384
Energy: 1.4167835357953749
Energy: 1.2761476200877706
Energy: 1.5112517820591531
Energy: 1.4967903938105178
Energy: 1.287491125278437
Energy: 1.4967903938113325
Energy: 1.2333406415645147
Energy: 1.2784742528263215
Energy: 1.4505448534331504
Energy: 1.2784742528246917
Energy: 1.3577116053260927
Energy: 1.355736792269156
Energy: 1.2594035135140527
Energy: 1.3557367923114902
Energy: 1.2341785130332041
Energy: 1.3675571967863278
Energy: 1.4475106826911515
Energy: 1.3675571967863278
Energy: 1.2706410410877391
Energy: 1.4362086301273338
Energy: 1.2778616556886455
Energy: 1.436208630120815
Energy: 1.2997869299305889
Energy: 1.3264165978339695
Energy: 1.2739871751115006
Energy: 1.3264165978347844
Energy: 1.2692921839880533
Energy: 1.4351932336328783
Energy: 1.2777260856042132
Energy: 1.4351932336328783
Energy: 1.2663813941031183
Energy: 1.2450360003815104
Energy: 1.2727762883630362
Energy: 1.2450360003806957
Energy: 1.241522721214389
Energy: 1.45691738877815
Energy: 1.516334326681618
Energy: 1.4569173887797797
Energy: 1.686476195891281
Energy: 1.246517407989952
Energy: 1.2548104552503656
Energy: 1.2465174079907666
Energy: 1.2403118384976153
Energy: 1.327812718558934
Energy: 1.3010991059995953
Energy: 1.3278127185581188
Energy: 1.276522584069381
Energy: 1.2827087938101271
Energy: 1.2733049523504787
Energy: 1.2827087938337205
Energy: 1.2394243538279441
Energy: 1.435615951703964
Energy: 1.2773922096656523
Energy: 1.4356159516998896
Energy: 1.2340203405118892
Energy: 1.3254527202408404
Energy: 1.28427607034436
Energy: 1.3254527202408404
Energy: 1.268599237823116
Energy: 1.3620156790653546
Energy: 1.2602409729824926
Energy: 1.3620156790735032
Energy: 1.2346732741097297
Energy: 1.4207017389784677
Energy: 1.4747009530647097
Energy: 1.4207017389792829
Energy: 1.463914516531214
Energy: 1.356588408945084
Energy: 1.2778520237152569
Energy: 1.3565884089401947
Energy: 1.2736365532387801
Energy: 1.2690684210575287
Energy: 1.4197410649708269
Energy: 1.2690684210567136
Energy: 1.3966408815984233
Energy: 1.3259747506105726
Energy: 1.2872629048217201
Energy: 1.3259747506105726
Energy: 1.2631873114363223
Energy: 1.269798371940727
Energy: 1.2903436415487957
Energy: 1.2697983719562087
Energy: 1.2302047932929703
Energy: 1.3692332449963214
Energy: 1.3550726514194018
Energy: 1.3692332449955065
Energy: 1.263001116745848
Energy: 1.3272386117494168
Energy: 1.2664654588754072
Energy: 1.3272386117478243
Energy: 1.228440722504065
Energy: 1.2694307921996877
Energy: 1.3586270261644602
Energy: 1.269430792198873
Energy: 1.5363550952289338
Energy: 1.30016188097344
Energy: 1.2666653655532008
Energy: 1.300161880974255
Energy: 1.2283674554517594
Energy: 1.2721529940691212
Energy: 1.534840366068651
Energy: 1.272152994069936

minimum gb energy = 1.2283674554517594 eV
minimum distance =  2.29511405027962 Angstroms
sigma value = 29


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

Energy: 1.271384797348327
Energy: 1.1644080587408845
Energy: 1.6637389984767093
Energy: 1.164408058741168
Energy: 1.209278586686364
Energy: 1.2552807467205895
Energy: 1.2555453345775642
Energy: 1.2552807136648314
Energy: 1.1752857064791067
Energy: 1.3087612323858877
Energy: 1.177967842407645
Energy: 1.308761232385604
Energy: 1.2567170124673102
Energy: 1.2478257141842448
Energy: 1.2212808804375161
Energy: 1.2478256843041664
Energy: 1.2530472608701961
Energy: 1.2430328153486188
Energy: 1.1756634882431305
Energy: 1.2430328153480512
Energy: 1.1758483848771109
Energy: 1.3083578803645148
Energy: 1.1758897313492709
Energy: 1.3083578803661546
Energy: 1.1755995853886114
Energy: 1.2432685740656673
Energy: 1.254530768246069
Energy: 1.2432685740653835
Energy: 1.2199561676202058
Energy: 1.2435762521605973
Energy: 1.2565161002577614
Energy: 1.2435762661570438
Energy: 1.1778233813611358
Energy: 1.3091919755092072
Energy: 1.1753787254671355
Energy: 1.309191975509491

minimum gb energy = 1.1644080587408845 eV
minimum distance =  2.31338662878426 Angstroms
sigma value = 5


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

Energy: 1.1799883030345413
Energy: 1.2978077445111194
Energy: 1.6779036460073202
Energy: 1.2978077445111194
Energy: 1.4876792913231585
Energy: 1.4968260702276566
Energy: 1.0987860604732151
Energy: 1.4968260702284264
Energy: 1.111400702621578
Energy: 1.1475171902697527
Energy: 1.3838472036331158
Energy: 1.1475171902697527
Energy: 1.1334014500098126
Energy: 1.4829615589456533
Energy: 1.1438965467841957
Energy: 1.482961558944884
Energy: 1.1287833635334499
Energy: 1.2166362085405327
Energy: 1.5067042805401079
Energy: 1.216636208538993
Energy: 1.1312294875846278
Energy: 1.1701469567126137
Energy: 1.1187689701821024
Energy: 1.1701469567110745
Energy: 1.1357310368244213
Energy: 1.2310214728038789
Energy: 1.1451784282336395
Energy: 1.2310214728038789
Energy: 1.128495895426577
Energy: 1.412396346691973
Energy: 1.1086770533901344
Energy: 1.412396346691203
Energy: 1.157472144567547
Energy: 1.3387465178290574
Energy: 1.0963120402166768
Energy: 1.3387465178298272
Energy: 1.1513461762079245
Energy: 1.2166319182678669
Energy: 1.1292079220365514
Energy: 1.2166319182678669
Energy: 1.096478580844734
Energy: 1.6638514871260703
Energy: 1.10846889712897
Energy: 1.6638514871253005
Energy: 1.1079101466564116
Energy: 1.35699631317088
Energy: 1.3175411489734428
Energy: 1.35699631317088
Energy: 1.139894353811927
Energy: 1.1805128040209119
Energy: 1.1728469535344883
Energy: 1.1805128040216815
Energy: 1.1300257955332986
Energy: 1.1739466949171926
Energy: 1.4288210163227804
Energy: 1.1739466949148833
Energy: 1.371949193117741
Energy: 1.3612931140078353
Energy: 1.108196129888001
Energy: 1.3612931140093747
Energy: 1.1376869406755805
Energy: 1.2769168321816067
Energy: 1.3240444241308282
Energy: 1.2769168322054676
Energy: 1.3838483480711679
Energy: 1.366363406815615
Energy: 1.0994579927357704
Energy: 1.3663634068148454
Energy: 1.1383345638756004
Energy: 1.1700937626302268
Energy: 1.222059440890708
Energy: 1.1700937626325358
Energy: 1.2149932466448723
Energy: 1.2333114332339672
Energy: 1.1246657364303174
Energy: 1.2333114332339672
Energy: 1.1079595237717954
Energy: 1.4703910809614698
Energy: 1.1536760727975497
Energy: 1.4703910809622394
Energy: 1.0934422188470303
Energy: 1.4065407980892999
Energy: 1.147421814456976
Energy: 1.406540798091609
Energy: 1.1352728554969305
Energy: 1.211461476070038
Energy: 1.1671036470910534
Energy: 1.2114614760692681
Energy: 1.106574254146459
Energy: 1.408360198416949
Energy: 1.0956558907854514
Energy: 1.4083601984161795
Energy: 1.3371583435353434
Energy: 1.4128366412424163
Energy: 1.107759871509409
Energy: 1.4128366412431859
Energy: 1.3132534449387356
Energy: 1.3303463356542384
Energy: 1.1109524580644186
Energy: 1.3303463356534688
Energy: 1.1530818301624577
Energy: 1.1794545195063608
Energy: 1.129701869771456
Energy: 1.1794545194832693
Energy: 1.1063396318372747
Energy: 1.3729108176621991
Energy: 1.4684856734004137
Energy: 1.3729108176637386
Energy: 1.1269110030282419
Energy: 1.5988673316555504
Energy: 1.1395360810738304
Energy: 1.5988673316547808
Energy: 1.1071250145659988
Energy: 1.4880768859485163
Energy: 1.5522001726659944
Energy: 1.4880768859485163
Energy: 1.3821880325545577
Energy: 1.1702769613913482
Energy: 1.137494759663586
Energy: 1.1702769613905786
Energy: 1.1142977876249571
Energy: 1.159551774148292
Energy: 1.2303173742693598
Energy: 1.1595517741490613
Energy: 1.3763235491302268
Energy: 1.1844891997352551
Energy: 1.1097403606647491
Energy: 1.184489200148379
Energy: 1.1399837025215405
Energy: 1.5989305344938738
Energy: 1.0788283261952096
Energy: 1.5989305344938738

minimum gb energy = 1.0788283261952096 eV
minimum distance =  2.26521423920048 Angstroms
sigma value = 1


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

Energy: 1.1024354032163608
Energy: 1.1017509587048162
Energy: 1.3778223039335697
Energy: 1.1017509587048162
Energy: 1.4057146405259238
Energy: 1.12446875634265
Energy: 1.0583389170258022
Energy: 1.124468756341586
Energy: 1.015096313611741
Energy: 1.1022349178378457
Energy: 1.279418361431809
Energy: 1.1022349178367814
Energy: 1.3311434618547713
Energy: 1.1622746460041664
Energy: 1.0529647164582754
Energy: 1.1622746460041664
Energy: 1.0182946395166308
Energy: 1.2114614980659328
Energy: 1.3907266062520012
Energy: 1.2114614980659328
Energy: 1.0211649429893406
Energy: 1.1037479171565052
Energy: 1.0530753217565127
Energy: 1.1037479171171278
Energy: 1.017821444946576
Energy: 1.2114785053549717
Energy: 1.0930439831780305
Energy: 1.2114785053549717
Energy: 1.0182526250367816
Energy: 1.1032801464148416
Energy: 1.0741661733498749
Energy: 1.1032801464339497
Energy: 1.102744845806751
Energy: 1.102815869231355
Energy: 1.0948865207151073
Energy: 1.1028158692302907
Energy: 1.103365819815359
Energy: 1.102597209969071
Energy: 1.0901507080512804
Energy: 1.102597209969071
Energy: 1.0183809184113282
Energy: 1.1021885309415251
Energy: 1.0739259927156286
Energy: 1.1021885309404609
Energy: 1.017601564387985
Energy: 1.2117538748616392
Energy: 1.063157690510383
Energy: 1.2117538748605747
Energy: 1.0209659619498348
Energy: 1.1028178531063872
Energy: 1.0529017465960857
Energy: 1.1028178534457378
Energy: 1.0185451284380482
Energy: 1.2112354804761947
Energy: 1.278896535908776
Energy: 1.2112354804761947
Energy: 1.33126489732768
Energy: 1.1622420508245732
Energy: 1.0526249988102505
Energy: 1.1622420508245732
Energy: 1.015029154569994
Energy: 1.102267632835062
Energy: 1.130841576687042
Energy: 1.1022676328339978
Energy: 1.4056841949711836
Energy: 1.124594513159936
Energy: 1.0587357872000824
Energy: 1.1245945131620647
Energy: 1.1024354032152965
Energy: 1.1017509587048162
Energy: 1.3604684547152779
Energy: 1.1017509587048162
Energy: 1.4057146405259238
Energy: 1.124468756341586
Energy: 1.0583389170268664
Energy: 1.12446875634265
Energy: 1.015096313611741
Energy: 1.1022349178378457
Energy: 1.61254161492816
Energy: 1.1022349178378457
Energy: 1.3311434618558355
Energy: 1.1622746460009734
Energy: 1.0529647164572111
Energy: 1.162274645998845
Energy: 1.0182946395166308
Energy: 1.2114614980659328
Energy: 1.3623390163160118
Energy: 1.2114614980659328
Energy: 1.0211649429893406
Energy: 1.1037479171831115
Energy: 1.0530753217565127
Energy: 1.1037479171831115
Energy: 1.017821444946576
Energy: 1.2114785053549717
Energy: 1.063732242798833
Energy: 1.2114785053549717

minimum gb energy = 1.015029154569994 eV
minimum distance =  2.30169736062238 Angstroms
sigma value = 17


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

Energy: 1.0841174788941381
Energy: 1.081901576966865
Energy: 1.3640431484333388
Energy: 1.0819015769662073
Energy: 1.2914235861946486
Energy: 1.2763911429951782
Energy: 1.0471313182521138
Energy: 1.2763911429945205
Energy: 1.0358581738149724
Energy: 1.0640510600797992
Energy: 1.360716862354724
Energy: 1.0640510600797992
Energy: 1.257799170868644
Energy: 1.2380477303177557
Energy: 1.0274192327308227
Energy: 1.238047730317098
Energy: 1.0213564918932905
Energy: 1.1496085692674927
Energy: 1.4256234203671987
Energy: 1.1496085692661768
Energy: 1.00619796421292
Energy: 1.5128133262661696
Energy: 1.0495250146342212
Energy: 1.5128133262674852
Energy: 1.0488461682547316
Energy: 1.1244985032968486
Energy: 1.147572495780105
Energy: 1.1244985032961907
Energy: 1.0131397015890253
Energy: 1.293542431514575
Energy: 1.0232366217793432
Energy: 1.293542431513917
Energy: 1.0773865911737182
Energy: 1.3317684924661952
Energy: 1.0970234071082046
Energy: 1.3317684924648796
Energy: 1.0785876585085348
Energy: 1.2965389111576389
Energy: 1.048218268413577
Energy: 1.2965389111589545
Energy: 1.0352985861406057
Energy: 1.4561509018383978
Energy: 1.0131027081731327
Energy: 1.45615090183774
Energy: 1.03758978080477
Energy: 1.1184037208709574
Energy: 1.0215586368723801
Energy: 1.1184037208722728
Energy: 1.0079258310684127
Energy: 1.4711266274032087
Energy: 1.0267447719424436
Energy: 1.471126627402551
Energy: 1.044200083399271
Energy: 1.1480893017444065
Energy: 1.083804776484422
Energy: 1.1480893017430909
Energy: 1.014110863994447
Energy: 1.298293317069375
Energy: 1.0930951966999394
Energy: 1.2982933170674014
Energy: 1.034802703227512
Energy: 1.298401406396137
Energy: 1.4157468985640878
Energy: 1.2984014063967948
Energy: 1.2524269747829457
Energy: 1.2977990176801002
Energy: 1.0374222361396128
Energy: 1.2977990176682597
Energy: 1.0268827098395565
Energy: 1.0912464105655364
Energy: 1.0309257051176834
Energy: 1.0912464105675097
Energy: 1.2639174627039558
Energy: 1.3083922543186832
Energy: 1.0496649681235688
Energy: 1.3083922543213145
Energy: 1.048807090088822
Energy: 1.0621035888214483
Energy: 1.2102513745491514
Energy: 1.0621035888221062
Energy: 1.424849878123808
Energy: 1.0572955667970294
Energy: 1.0378826948560522
Energy: 1.0572955668003183
Energy: 1.0255596464363783
Energy: 1.3209592766011449
Energy: 1.4238574894644889
Energy: 1.320959276600487
Energy: 1.2137203333316964
Energy: 1.2573222149535126
Energy: 1.0504490284927104
Energy: 1.2573222149561438
Energy: 1.0359879989477403
Energy: 1.127630822829692
Energy: 1.2958293408179427
Energy: 1.1276308228283767
Energy: 1.045690880051922
Energy: 1.0983784408907857
Energy: 1.0252139037927879
Energy: 1.0983784408671051
Energy: 1.027133774291302
Energy: 1.1511911112899114
Energy: 1.0378091168711954
Energy: 1.1511911112885957
Energy: 1.2664432756981716
Energy: 1.4754725622579747
Energy: 1.0465764387733565
Energy: 1.4754725622586324
Energy: 1.0964464855342135
Energy: 1.310853649064553
Energy: 1.0231962885202357
Energy: 1.310853649064553
Energy: 1.1067488736042703
Energy: 1.1478808083799925
Energy: 1.0335951473581222
Energy: 1.1478808083806502
Energy: 1.025580584182058
Energy: 1.4726301760142273
Energy: 1.0502566876822772
Energy: 1.4726301760136293
Energy: 1.0398880838407565
Energy: 1.1483239158359462
Energy: 1.056767545264882
Energy: 1.1483239158352885
Energy: 1.0124936064595496
Energy: 1.454571033824236
Energy: 1.031380317892389
Energy: 1.454571033824236
Energy: 1.0476714286976656
Energy: 1.2977632786801785
Energy: 1.2961118461826933
Energy: 1.2977632786808362
Energy: 1.0889282433278364
Energy: 1.3322769967624488
Energy: 1.0518564332849933
Energy: 1.3322769967637642
Energy: 1.0310029907110123
Energy: 1.0867467056893363
Energy: 1.0651178978417124
Energy: 1.0867467057143325
Energy: 1.1412642063327632
Energy: 1.1268371430955808
Energy: 1.0468491999878133
Energy: 1.1268371430962387
Energy: 1.0503340611806944
Energy: 1.4533439588704378
Energy: 1.008463021202969
Energy: 1.4533439588697799
Energy: 1.242474002167165
Energy: 1.1523155182106952
Energy: 1.0290689240520576
Energy: 1.1523155182100375

minimum gb energy = 1.00619796421292 eV
minimum distance =  2.28974380699924 Angstroms
sigma value = 89


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

Energy: 0.9308010053145495
Energy: 0.930639408737392
Energy: 1.5557972291753797
Energy: 0.930639408737392
Energy: 0.9346947879299566
Energy: 0.9793664250581265
Energy: 0.9472482991152771
Energy: 0.9793664250581265
Energy: 0.9450894176644663
Energy: 1.1357829113758995
Energy: 1.7412534223081038
Energy: 1.1357829113741784
Energy: 1.403058811031359
Energy: 0.9795681401246188
Energy: 0.9473153905785413
Energy: 0.9795681401246188
Energy: 0.9315548178317429
Energy: 1.0246491359601444
Energy: 0.9509150470989322
Energy: 1.0246491359601444
Energy: 0.9315187114643665
Energy: 0.9314209054660004
Energy: 0.9351972508110772
Energy: 0.9314209054660004
Energy: 0.9452915010390689
Energy: 1.1367241095107379
Energy: 0.9455670720458168
Energy: 1.1367241095107379
Energy: 0.9153100198793378
Energy: 1.1319317164201486
Energy: 0.9475940772680124
Energy: 1.1319317164184273
Energy: 0.9322802347073483
Energy: 1.0257699308825303
Energy: 0.9290324806718884
Energy: 1.0257699308825303
Energy: 0.979525239315037
Energy: 1.0215603303927796
Energy: 0.9348777855823409
Energy: 1.021560330700704
Energy: 0.9302920833062746
Energy: 0.9797633177326159
Energy: 0.9445078440528558
Energy: 0.979763317734337
Energy: 0.9314972052202172
Energy: 1.1324537845510725
Energy: 0.9476764453923192
Energy: 1.1324537845510725
Energy: 0.9323868401569407
Energy: 0.9326623456919894
Energy: 0.9147461792175845
Energy: 0.9326623456919894
Energy: 0.9358720148403409
Energy: 1.0222038550950294
Energy: 0.93582782200718
Energy: 1.0222038550950294
Energy: 0.9115558502026307
Energy: 0.932400216246799
Energy: 0.9324622213154027
Energy: 0.9324002162381935

minimum gb energy = 0.9115558502026307 eV
minimum distance =  2.3174915821057 Angstroms
sigma value = 13


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

Energy: 0.935183236068561
Energy: 0.8861025835128472
Energy: 1.5842918679535933
Energy: 0.8861025835135686
Energy: 1.1793395933753374
Energy: 0.914554724589926
Energy: 0.8745661894526143
Energy: 0.9145547245892046
Energy: 0.8869727273833482
Energy: 1.1048588228278524
Energy: 1.0857436308381172
Energy: 1.1048588228264096
Energy: 1.104863231831381
Energy: 0.9146635619913143
Energy: 0.8691041261820734
Energy: 0.9146635619833791
Energy: 0.8986411413602915
Energy: 1.1047090398558637
Energy: 0.9473358380220384
Energy: 1.10470903986452
Energy: 1.0799836448684428
Energy: 0.9155914475027427
Energy: 0.9057857756458688
Energy: 0.9155914474998571
Energy: 0.894905357723563
Energy: 0.9596001416707975
Energy: 1.5180326848430503
Energy: 0.9596001416715189
Energy: 0.8681233832844126
Energy: 1.130064166507221
Energy: 0.9058330212391767
Energy: 1.130064166507221
Energy: 0.8986993362262459
Energy: 0.9589396151373207
Energy: 1.2466184451208284
Energy: 0.958939615138042
Energy: 1.0791701906172155
Energy: 1.1307376811421903
Energy: 0.8691421912578314
Energy: 1.1307376810765442
Energy: 0.8952117121905184
Energy: 0.985467251695873
Energy: 0.9050566857095392
Energy: 0.9854672516951516
Energy: 1.3331713238535248
Energy: 0.9834959655531897
Energy: 0.8765036848052429
Energy: 0.9834959655553539
Energy: 0.9458418739129285
Energy: 0.9088984580971461
Energy: 0.8945864479918759
Energy: 0.9088984581014745
Energy: 1.3856832417194171
Energy: 0.9838013175421573
Energy: 0.8780624973813734
Energy: 0.9838013175414358
Energy: 0.8931902797908512
Energy: 0.8852618189524861
Energy: 0.8730970831358916
Energy: 0.8852618189380584
Energy: 0.9215399926822128
Energy: 0.9840896639811001
Energy: 0.8798284335606134
Energy: 0.9840896639789359
Energy: 0.9120096522385708
Energy: 0.8847809236504092
Energy: 0.8741883855642463
Energy: 0.8847809236468023
Energy: 0.8936447273810642
Energy: 0.9542942880796872
Energy: 0.9156489037022384
Energy: 0.9542942880811299
Energy: 0.9117558943010492
Energy: 0.9103680743692697
Energy: 0.9166364822975116
Energy: 0.9103680743721552
Energy: 0.9123934295092122
Energy: 0.9114923423943315
Energy: 0.9181637520898702
Energy: 0.9114923421657177
Energy: 0.8946462133549112
Energy: 0.9543176672481387
Energy: 0.9167063862943304
Energy: 0.9543176672495814
Energy: 0.9122118303845432
Energy: 0.8847732401681361
Energy: 0.874208582787822
Energy: 0.8847732401897777
Energy: 0.9206301608941971
Energy: 0.9842937220091685
Energy: 0.8799379830654589
Energy: 0.9842937220084471
Energy: 0.893108977098456
Energy: 0.8852674445958224
Energy: 0.8748684036110252
Energy: 0.8852674445965438
Energy: 1.3460278533340932
Energy: 0.9837033472069064
Energy: 0.8664434240725141
Energy: 0.9837033472112349
Energy: 0.9459067297108691
Energy: 0.9088885317288559
Energy: 0.9066622190369926
Energy: 0.9088885317295773
Energy: 1.332069999879263
Energy: 0.9836487319743088
Energy: 0.8667287491658946
Energy: 0.9836487319743088
Energy: 0.8962487536874629
Energy: 0.9848235014994097
Energy: 0.9051876133235246
Energy: 0.9848235015037381
Energy: 1.07924680671287
Energy: 1.1292066639510456
Energy: 0.8694954873356036
Energy: 1.1292066639510456
Energy: 0.8976732327339011
Energy: 0.9586548054753157
Energy: 1.2999026899162793
Energy: 0.9586548054738729
Energy: 0.867920526164366
Energy: 1.1291153150773507
Energy: 0.9056782660305028
Energy: 1.1291153151502105
Energy: 0.8990553683383917
Energy: 0.9593412800166078
Energy: 1.5183962783134672
Energy: 0.9593412800166078
Energy: 1.062740691328169
Energy: 0.9153912156771922
Energy: 0.9054450750601236
Energy: 0.9153912156764707
Energy: 0.8937279059722597
Energy: 1.104019061453618
Energy: 0.9495539662807627
Energy: 1.1040190614435186
Energy: 1.1013640126933337
Energy: 0.9162362689589744
Energy: 0.8692427807131056
Energy: 0.9162362689553675

minimum gb energy = 0.8664434240725141 eV
minimum distance =  2.32442052466198 Angstroms
sigma value = 37


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

Energy: 0.8537034986636564
Energy: 0.854918754217168
Energy: 1.4969941707907322
Energy: 0.854918754217168
Energy: 0.8660252368858367
Energy: 0.8535961320670816
Energy: 0.7978768397211641
Energy: 0.853596132062117
Energy: 0.7889446230751375
Energy: 1.1980136720487462
Energy: 1.534411630509312
Energy: 1.1980136720524697
Energy: 0.7958762461256185
Energy: 0.8535326819470638
Energy: 0.7978001430764118
Energy: 0.8535326819483048
Energy: 0.7962082318849779
Energy: 0.8536126671369563
Energy: 0.8419625751385582
Energy: 0.8536126671369563
Energy: 1.1495171461982554
Energy: 0.8540031765813041
Energy: 0.7920826716958794
Energy: 0.8540031765813041
Energy: 0.7972850667630361
Energy: 0.9057559482981729
Energy: 1.1899889317164114
Energy: 0.9057559482981729
Energy: 0.7961332093844463
Energy: 0.854566428039479
Energy: 0.8571111897871734
Energy: 0.8545664280407201
Energy: 0.796402134047341
Energy: 0.8539851882912982
Energy: 1.4213980507262687
Energy: 0.8539851882912982
Energy: 1.1586060238237246
Energy: 1.1897764597630192
Energy: 0.7921984665783578
Energy: 1.1897764597630192
Energy: 0.7969628130187706
Energy: 0.9056479637932192
Energy: 0.7959906613077745
Energy: 0.9056479637944603
Energy: 1.1657415497595172
Energy: 0.8539257925328056
Energy: 0.7978092821520464
Energy: 0.8539257925315646
Energy: 0.7889109638416496
Energy: 0.853587623016449
Energy: 0.785717966955598
Energy: 0.853587623016449
Energy: 1.1910540244223395
Energy: 0.9053429868470934
Energy: 0.7961895202717708
Energy: 0.9053429868470934
Energy: 0.8533392725222352
Energy: 0.9059555386862679
Energy: 0.7958920666878204
Energy: 0.9059555386862679
Energy: 0.85381942803863
Energy: 0.8537087830323172
Energy: 0.7980903484326407
Energy: 0.8537087830323172
Energy: 0.788955301749158
Energy: 0.9525572843151013
Energy: 0.7780972192996064
Energy: 0.9525572843151013
Energy: 0.7963569592339759
Energy: 0.9074343031950609
Energy: 0.7959533519953387
Energy: 0.9074343031665435
Energy: 0.7976927613064501
Energy: 0.8543772210280108
Energy: 0.7891057450569505
Energy: 0.8543772210267697
Energy: 0.7960071231916168
Energy: 0.8546230013590799
Energy: 0.7890495155868454
Energy: 0.854623001360321

minimum gb energy = 0.7780972192996064 eV
minimum distance =  2.32229930266709 Angstroms
sigma value = 25


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

Energy: 0.7968707735172466
Energy: 0.7433149971806655
Energy: 0.7418988329759592
Energy: 0.7433149971322079
Energy: 1.5385156711514705
Energy: 0.7669572137973545
Energy: 0.7450721909974312
Energy: 0.7669572137973545
Energy: 0.7384538230331797
Energy: 0.7382116144968068
Energy: 1.4127473058453666
Energy: 0.7382116144968068
Energy: 1.016224324102787
Energy: 0.7670399733290743
Energy: 0.7453075134980439
Energy: 0.7670399733290743
Energy: 0.7446082410020806
Energy: 0.7673022345297635
Energy: 0.7520946381385739
Energy: 0.7673022345297635
Energy: 0.7084006936180938
Energy: 0.7666064040998856
Energy: 0.7448734109550167
Energy: 0.7666064041018238
Energy: 0.7455527658864343
Energy: 0.7388452900074317
Energy: 0.7878494732568753
Energy: 0.7388452900084008
Energy: 0.9734507276735198
Energy: 0.7975551866328977
Energy: 0.739936308746418
Energy: 0.7975551866387126
Energy: 0.7447747877641544
Energy: 0.7667500298168006
Energy: 1.425032115464017
Energy: 0.7667500298351704
Energy: 0.7091243640479956
Energy: 0.7391565914221968
Energy: 0.7982722756316704
Energy: 0.7391565914221968
Energy: 0.7455833049493544
Energy: 0.738705199649303
Energy: 1.3429183731073009
Energy: 0.738705199649303
Energy: 1.0108273950380708
Energy: 1.0592491354118576
Energy: 0.7398887566756551
Energy: 1.0592491354118576
Energy: 0.7438913735207089
Energy: 0.7665572946755039
Energy: 1.1864168962293506
Energy: 0.7665572946755039
Energy: 1.0275168585429544
Energy: 0.7382305428848942
Energy: 0.7445957647818447
Energy: 0.7382305428839251
Energy: 0.7454196404527561
Energy: 0.7389472815399435
Energy: 0.7094574074718258
Energy: 0.7389472815389743
Energy: 1.0183738866306633
Energy: 0.8732282116382409
Energy: 0.7440756537216214
Energy: 0.87322821163921
Energy: 0.7450051209488172
Energy: 0.7977704847722867
Energy: 0.7052108099903991
Energy: 0.7977704848449731
Energy: 1.0673939556493335
Energy: 0.7668573206316782
Energy: 0.7450982538487936
Energy: 0.7668573206307089
Energy: 0.8038095330976631
Energy: 0.7383600589504637
Energy: 0.7094654395887048
Energy: 0.7383600589514329
Energy: 1.3323121042591666
Energy: 0.8734961307651392
Energy: 0.7442953558011983
Energy: 0.8734961307544785
Energy: 0.7448168818013934
Energy: 1.060494897975043
Energy: 0.696587406345224
Energy: 1.0604948979634132
Energy: 0.7436740644764631
Energy: 0.7676386094198314
Energy: 0.7459003189697532
Energy: 0.7676386094217696
Energy: 0.745438431017053
Energy: 1.0395788583637369
Energy: 1.0258781863203315
Energy: 1.0395788583637369
Energy: 0.7091219018576445
Energy: 0.8754091840345966
Energy: 0.7437141328116241
Energy: 0.8754091840355656
Energy: 0.7439344748456403
Energy: 0.8727446526179056
Energy: 1.0252001675525286
Energy: 0.8727446526179056
Energy: 0.70831616392613
Energy: 0.797274374377385
Energy: 0.7459672869965213
Energy: 0.7972743743764159

minimum gb energy = 0.696587406345224 eV
minimum distance =  2.32476758312179 Angstroms
sigma value = 41


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

Energy: 1.1541746281068386
Energy: 0.6985115862541932
Energy: 1.4231891709514102
Energy: 0.6985115862533986
Energy: 1.5425251563318558
Energy: 0.6798808093151796
Energy: 0.6653524174133233
Energy: 0.679880809315974
Energy: 0.6963727584778804
Energy: 0.6635944233813834
Energy: 1.316473530747112
Energy: 0.663594423390918
Energy: 1.1631902897737756
Energy: 0.6790124864466742
Energy: 0.6655589373548769
Energy: 0.679012486449058
Energy: 0.6612843980368982
Energy: 0.719260776257814
Energy: 0.6728317963401298
Energy: 0.7192607624245667
Energy: 0.9025117976643564
Energy: 0.678977986685939
Energy: 0.665513245303975
Energy: 0.678977986727183
Energy: 0.6645462069017097
Energy: 0.678176034910974
Energy: 0.7041067537129306
Energy: 0.6781760349117685
Energy: 0.6455027993609052
Energy: 0.6973363922155792
Energy: 0.661950873847898
Energy: 0.6973363922171684
Energy: 0.668074502679082
Energy: 0.6996654323583125
Energy: 1.0637595598646112
Energy: 0.6996654293903974
Energy: 0.6504087804510047
Energy: 0.66194650769915
Energy: 0.6969540369289257
Energy: 0.661946507427488
Energy: 0.664643084956334
Energy: 0.9094725767868702
Energy: 1.350215245753178
Energy: 0.9094725767765411
Energy: 0.6446791444513484
Energy: 0.6966007916618585
Energy: 1.155461777666446
Energy: 0.6966007916618585
Energy: 0.6684219638884357
Energy: 0.6968997154649481
Energy: 1.4634527645638373
Energy: 0.6968997257386332
Energy: 0.8991903484142476
Energy: 0.7629800167228264
Energy: 0.6969828666621742
Energy: 0.7629800167228264
Energy: 0.6646019430732862
Energy: 0.679768414495388
Energy: 1.1533259310383857
Energy: 0.679768414495388
Energy: 0.9156849750625505
Energy: 0.918451501383301
Energy: 0.6618716413657801
Energy: 0.9184515013817119
Energy: 0.6680460806428992
Energy: 0.6963429711885372
Energy: 1.0310618012908435
Energy: 0.6963429711813862
Energy: 0.9124668683106701
Energy: 0.7629889539449939
Energy: 0.66526287536124
Energy: 0.7629889539465831
Energy: 0.6645938556448641
Energy: 0.6988348968758675
Energy: 0.6449291372742204
Energy: 0.6988348968742785
Energy: 0.9195315455962552
Energy: 0.6963491130966611
Energy: 0.6723957370882985
Energy: 0.6963491131514126
Energy: 0.7004241281197279
Energy: 0.6996285366526106
Energy: 0.6530376197078229
Energy: 0.6996285367669528
Energy: 1.3650108243031156
Energy: 0.9930608980124616
Energy: 0.6656383780130897
Energy: 0.9930608980132561
Energy: 1.1581724723695148
Energy: 0.696349328141671
Energy: 0.6450853482474267
Energy: 0.6963493281456437
Energy: 1.1689511514786615
Energy: 0.9749770141949412
Energy: 0.672687865004803
Energy: 0.974977014219572
Energy: 0.6998663528887329
Energy: 0.7611115079562685
Energy: 0.6422251459958709
Energy: 0.7611115079554739
Energy: 1.15618757046092
Energy: 0.9944128233237389
Energy: 0.6657963787202764
Energy: 0.9944128233221498
Energy: 0.6644472718484229
Energy: 0.9183138956162146
Energy: 0.9265238664431976
Energy: 0.91831389561542
Energy: 0.6656884762123079
Energy: 0.9728261471017559
Energy: 0.6727555577773489
Energy: 0.9728261471009613
Energy: 0.668636874757385
Energy: 0.7608125583061924
Energy: 0.9127372937279302
Energy: 0.7608125583061924
Energy: 0.6457713449517969
Energy: 1.0149539591118066
Energy: 0.6691016727454508
Energy: 1.0149539591110122
Energy: 0.6709978007085963
Energy: 0.6958025200067467
Energy: 0.9235391995745655
Energy: 0.6958025200107194
Energy: 0.6450739625865743
Energy: 0.9733479075158235
Energy: 0.7042523186908147
Energy: 0.9733479075158235

minimum gb energy = 0.6422251459958709 eV
minimum distance =  2.31227308442893 Angstroms
sigma value = 15


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

Energy: 1.0383809938882023
Energy: 0.6337334041905412
Energy: 1.3931333086371487
Energy: 0.6337334022582795
Energy: 1.5376526621542406
Energy: 0.6291488735312941
Energy: 0.6295722708049923
Energy: 0.6291488735292748
Energy: 0.6576721224554637
Energy: 0.6293007395892295
Energy: 1.2410008331644176
Energy: 0.6293007807224549
Energy: 1.2109537937107016
Energy: 0.6299814753372025
Energy: 0.6297755365573198
Energy: 0.6299814752968781
Energy: 0.626836437570412
Energy: 0.6373476527680354
Energy: 0.626516660597704
Energy: 0.6373498723045037
Energy: 1.0416826098964809
Energy: 0.6304641412571311
Energy: 0.6295285155677434
Energy: 0.6304641412591503
Energy: 0.6291414802962643
Energy: 0.6424938821986097
Energy: 0.6428379717729833
Energy: 0.6424938821151465
Energy: 0.8119985443698264
Energy: 0.6474074791022975
Energy: 0.6300478268956233
Energy: 0.6474074790881627
Energy: 0.6315446683893566
Energy: 0.645262034556412
Energy: 0.9484955191504738
Energy: 0.6452620331724749
Energy: 0.5954580849425579
Energy: 0.6295322709725382
Energy: 0.6274824701124537
Energy: 0.6295322705533858
Energy: 0.6289751098815434
Energy: 0.8220412356146679
Energy: 1.0511240497706527
Energy: 0.8220412261652605
Energy: 0.5928560095890366
Energy: 0.6301019854249101
Energy: 0.6585076308333969
Energy: 0.6301019672083653
Energy: 0.6313445808874542
Energy: 0.8971057229341283
Energy: 1.4633984638249276
Energy: 0.897105722843934
Energy: 0.5947461306448938
Energy: 0.6284188889468256
Energy: 1.0381180464004385
Energy: 0.6284188889448064
Energy: 0.6289879801631569
Energy: 0.8275004829593268
Energy: 1.3737914277190606
Energy: 0.827500482982212
Energy: 0.830291868739473
Energy: 0.6272193334313728
Energy: 0.6589795871610258
Energy: 0.6272193334811816
Energy: 0.6315507338347299
Energy: 0.6437743270979416
Energy: 1.3033684737497815
Energy: 0.6437743270495402
Energy: 0.8474817868387615
Energy: 0.6323211572238525
Energy: 0.6272565752584869
Energy: 0.6323211564851653
Energy: 0.6290338967101264
Energy: 0.6272322342725585
Energy: 1.0300619990712099
Energy: 0.6272322609245902
Energy: 0.8407297886420768
Energy: 0.8275262023646001
Energy: 0.6299407105625372
Energy: 0.8275262023578691
Energy: 0.6318061462573834
Energy: 0.6601023807032447
Energy: 0.9392048482861757
Energy: 0.6601024462567755
Energy: 0.8491749967010277
Energy: 0.6437619298358758
Energy: 0.6345119850081825
Energy: 0.6437619549546054
Energy: 0.6290645412278575
Energy: 0.6270372533298834
Energy: 0.5947010532176188
Energy: 0.6270372533292102
Energy: 1.2046578570985633
Energy: 0.6282282794096822
Energy: 0.6297284188355435
Energy: 0.6282282793781081
Energy: 0.6604155831732303
Energy: 0.9065121473008856
Energy: 0.6006497814612607
Energy: 0.9065121473015587
Energy: 1.2123519349135643
Energy: 0.6426496906452039
Energy: 0.634476080564786
Energy: 0.6426496924515978
Energy: 1.040438988321934
Energy: 0.8799766472687947
Energy: 0.5944190849894704
Energy: 0.8799766472694678
Energy: 1.386251981264899
Energy: 0.63253872691071
Energy: 0.6298550423575303
Energy: 0.6325387276218616
Energy: 0.6601045862813276
Energy: 0.6614302877773303
Energy: 0.6041470606910342
Energy: 0.6614296238192007
Energy: 1.0535497407564698
Energy: 0.6424832889718752
Energy: 0.6344908079354656
Energy: 0.6424832900665055
Energy: 0.6288749697019319
Energy: 0.8848780682524743
Energy: 0.8432332459126192
Energy: 0.8848780682518013
Energy: 1.054922105645775
Energy: 0.6310011114815991
Energy: 0.6295708963719396
Energy: 0.6310011114829454
Energy: 0.631441437664594
Energy: 0.9177397064599199
Energy: 0.8366478214694157
Energy: 0.9177397064646315
Energy: 0.6135252527879108
Energy: 0.9064731757974747
Energy: 0.6344645665952595
Energy: 0.9064731758001671
Energy: 0.6089474831002127
Energy: 0.6874067722112776
Energy: 0.845621092475506
Energy: 0.6874067721971426
Energy: 0.595490619014938
Energy: 0.6311111851354739
Energy: 0.6317079891519193
Energy: 0.6311111850682259
Energy: 0.6314983536811243
Energy: 0.9180232731906062
Energy: 1.2784835289237038
Energy: 0.9180232731885869

minimum gb energy = 0.5928560095890366 eV
minimum distance =  2.30233526034719 Angstroms
sigma value = 85


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

Energy: 0.9737912190524365
Energy: 0.6277945104322461
Energy: 1.3031689858121218
Energy: 0.6277945104287435
Energy: 1.5127329409447716
Energy: 0.6217771343556255
Energy: 0.5824869873854441
Energy: 0.6217771343696361
Energy: 0.9334441346588599
Energy: 0.777241387117314
Energy: 0.7597065401001228
Energy: 0.777241387124903
Energy: 1.2124889621706698
Energy: 0.6216736599130234
Energy: 0.5819852606021908
Energy: 0.6216736604767096
Energy: 0.6199502504273187
Energy: 0.7404777029768866
Energy: 0.5842653139739136
Energy: 0.7404777029547034
Energy: 1.0464176619111483
Energy: 0.6217136380042915
Energy: 0.5824386297156736
Energy: 0.6217136380182754
Energy: 0.5792086978058255
Energy: 0.9539608987680961
Energy: 0.6112240126243377
Energy: 0.9539608987686797
Energy: 0.8983124770809795
Energy: 0.7764988746323814
Energy: 0.5823834124015752
Energy: 0.7764988746282951
Energy: 0.5818404241594388
Energy: 0.7570712417382673
Energy: 0.9539012783332684
Energy: 0.7570712414774534
Energy: 0.7216994560091169
Energy: 0.7986989095313566
Energy: 0.5799245322366969
Energy: 0.7986989095418645
Energy: 0.5843425657150045
Energy: 0.7758864917750039
Energy: 0.9614639438605881
Energy: 0.7758864917738364
Energy: 0.5313372748463137
Energy: 0.6205599936334951
Energy: 0.6205237420393188
Energy: 0.6205599936200683
Energy: 0.5819472404629489
Energy: 0.7570282020578771
Energy: 1.175284601821169
Energy: 0.7570282020526499
Energy: 0.5277827594789705
Energy: 0.7764844451819114
Energy: 0.9340545572377418
Energy: 0.7764844451813276
Energy: 0.5853099570540145
Energy: 0.7780132892046361
Energy: 1.358963597275478
Energy: 0.7780132831296783
Energy: 0.5309618528317482
Energy: 0.6208830774418782
Energy: 0.9745141165546559
Energy: 0.620883077437208
Energy: 0.5819844975033587
Energy: 0.7567374937924713
Energy: 1.4344792959373383
Energy: 0.7567374937901362
Energy: 0.7222750010222344
Energy: 0.7759878227926951
Energy: 0.9343292192744059
Energy: 0.7759878228113757
Energy: 0.583866770875448
Energy: 0.7781286826406167
Energy: 1.21365901656969
Energy: 0.778128682640033
Energy: 0.7385247799492244
Energy: 0.6207814951542348
Energy: 0.6208595836053764
Energy: 0.6207814951524834
Energy: 0.5819994631712464
Energy: 0.5991317255889421
Energy: 1.1366837193934096
Energy: 0.5991317255895259
Energy: 0.7358719246194401
Energy: 0.9343009984625962
Energy: 0.5801102686793298
Energy: 0.9343009984579259
Energy: 0.5838414662095054
Energy: 0.6216588055428772
Energy: 0.8977238185242946
Energy: 0.6216587674633419
Energy: 0.7507999716919598
Energy: 0.6446430631407831
Energy: 0.5824215066144374
Energy: 0.6446430631419506
Energy: 0.5821422872451951
Energy: 0.620590816948832
Energy: 0.8122409629903632
Energy: 0.6205908169476646
Energy: 1.092103836940127
Energy: 0.6202864128053551
Energy: 0.5837439993538854
Energy: 0.6202864128065226
Energy: 0.6229036465822205
Energy: 0.6214941353719936
Energy: 0.5310018832595703
Energy: 0.6214941353795562
Energy: 1.077655971523103
Energy: 0.6453767561463742
Energy: 0.5825941862927577
Energy: 0.6453767561504605
Energy: 0.9359840926827099
Energy: 0.6200963432431572
Energy: 0.5296194125003981
Energy: 0.620096343243741
Energy: 1.36442546953403
Energy: 0.6202309414537145
Energy: 0.5839361894544258
Energy: 0.6202309414554659
Energy: 0.9761662820674339
Energy: 0.6208620593713654
Energy: 0.5317494785181753
Energy: 0.6208620593847657
Energy: 1.2320376356191687
Energy: 0.6448982236421681
Energy: 0.5828090606552593
Energy: 0.6448982232879769
Energy: 0.9359551294827275
Energy: 0.6201613942122057
Energy: 0.5284611366972399
Energy: 0.6201613942442867
Energy: 1.2161311934737478
Energy: 0.6201307693167587
Energy: 0.5841087890162495
Energy: 0.6199859406160882
Energy: 0.6229062243004033
Energy: 0.6209213693510963
Energy: 0.7387885813465994
Energy: 0.6209213693213239
Energy: 0.9174973139330908
Energy: 0.6452434315908498
Energy: 0.5824071948751489
Energy: 0.6452434361107681
Energy: 0.5817584409391754
Energy: 0.7767002665225616
Energy: 0.7362139526516983
Energy: 0.7767002664472815
Energy: 0.8994795676645284
Energy: 0.6212516141567898
Energy: 0.5840635616414783
Energy: 0.6212516142157244
Energy: 0.5842346948841188
Energy: 0.6216556767230202
Energy: 0.750331006294607
Energy: 0.6216556767037558
Energy: 0.5503725905454754
Energy: 0.6707938603919774
Energy: 0.5842630327868248
Energy: 0.6707938676649176
Energy: 0.5815146047100297
Energy: 0.6198541292825921
Energy: 1.0998053194227049
Energy: 0.6198541290713723
Energy: 0.5313136428984317
Energy: 0.6222160822706991
Energy: 0.6258081571959562
Energy: 0.6222160819894531
Energy: 0.5844035333750336
Energy: 0.8551789863647455
Energy: 1.0790460929071672
Energy: 0.8551789863647455

minimum gb energy = 0.5277827594789705 eV
minimum distance =  2.31007669167896 Angstroms
sigma value = 113


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

Energy: 0.01891017592825439
Energy: 0.020196362080005133
Energy: 1.0645972198094096
Energy: 0.020196362079556357
Energy: 0.8587773173815091
Energy: 0.2977434839109682
Energy: 0.29762937326111255
Energy: 0.2977434839109682
Energy: 0.01891017592825439
Energy: 0.020196362080005133
Energy: 1.0645972198094096
Energy: 0.020196362080005133
Energy: 0.8587773173806114
Energy: 0.2977434839109682
Energy: 0.29762937326111255
Energy: 0.29774348391141703
Energy: 0.01891017592825439
Energy: 0.020196362079556357
Energy: 1.064597219809858
Energy: 0.020196362079556357
Energy: 0.858777317381908
Energy: 0.2977434839109682
Energy: 0.2976293732606638
Energy: 0.29774348391141703

minimum gb energy = 0.01891017592825439 eV
minimum distance =  2.52675207325544 Angstroms
sigma value = 1