Model name: model_name=EAM_Dynamo_ZhouBarteltSills_2021_PdHHe__MO_865505436319_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.637506820261479
cohesive_energy=2.2588792379667417
mass=106.42
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=[1.4207830020284218e-19, 1.81049163995268e-19, 2.0922984881069397e-19, 2.29457328814944e-19, 2.4429028009251596e-19, 2.5513701590469597e-19, 2.6295884223188397e-19, 2.7088160568701396e-19, 2.8279539113743797e-19, 2.94100349466942e-19, 3.0437350604414997e-19, 3.13709389290468e-19, 3.2218330150769395e-19, 3.2980645793226595e-19, 3.36558030267942e-19, 3.4240437280540797e-19, 3.4731023765871596e-19, 3.51251592178356e-19, 3.5406501434766e-19, 3.56202317977416e-19, 3.5850144144720597e-19, 3.6034554675293996e-19, 3.6149751175278597e-19, 3.6188363632158e-19, 3.6146226386683793e-19, 3.60102015904572e-19, 3.57647481301284e-19, 3.53935238040306e-19, 3.4878263798536197e-19, 3.4197659164413e-19, 3.3327196599160798e-19, 3.2237876705704197e-19, 3.0836933456934596e-19, 2.93882453444718e-19, 2.7889889756355e-19, 2.61423957016512e-19, 2.4027041891780997e-19, 2.1452664476269797e-19, 1.83239339453946e-19, 1.4518780461410938e-19, 9.95845704275772e-20, 4.5652421009196e-20, -2.0660868783746996e-20, -1.0326172602027059e-19, -2.01218965640694e-19, -3.05091281176182e-19, -4.32783156729348e-19, -5.88235946819832e-19, -7.82243515430892e-19, -1.0073781716873038e-18, -1.2953934542983139e-18, -1.6748353443518999e-18, -2.1785276345488198e-18, -4.5902360564099995e-18]
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: 10.9048335 eV

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

Energy: 0.008604953710061331
Energy: 0.00936824402639594
Energy: 0.6843346279273985
Energy: 0.13123311154262443
Energy: 0.00936824402639594
Energy: 0.9746284054986091
Energy: 0.13123311154262443
Energy: 0.9746284054968022
Energy: 0.6843346279310294
Energy: 0.13123311154262443
Energy: 0.008604953710061331
Energy: 0.009368244025191399
Energy: 0.13123311154202216
Energy: 0.9746284054968022
Energy: 0.009368244023986857
Energy: 0.9746284054986091

minimum gb energy = 0.008604953710061331 eV
minimum distance =  2.47995199918854 Angstroms
sigma value = 1


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

Energy: 1.4772503544710354
Energy: 0.9996698766885149
Energy: 1.0654370748991122
Energy: 1.065807377187665
Energy: 1.0301364709616543
Energy: 1.104668008814364
Energy: 1.0161358907880689
Energy: 1.1046680088158667
Energy: 1.0675639115557476
Energy: 1.0653879321373017
Energy: 1.5884451211016486
Energy: 1.0653879321373017
Energy: 1.0161383724987303
Energy: 1.0145840970056286
Energy: 1.0151868431888829
Energy: 1.014584097010136
Energy: 1.3833355946748969
Energy: 1.012462371830399
Energy: 1.0154378238853705
Energy: 1.012462371833404
Energy: 1.0163670783118548
Energy: 1.1626736807943732
Energy: 1.0154385895292493
Energy: 1.162673680791368
Energy: 1.0802199661188063
Energy: 1.0987070241417514
Energy: 1.3812570978463354
Energy: 1.0987070241500154
Energy: 1.081736574112017
Energy: 1.058320829156154
Energy: 1.06374639118111
Energy: 1.0583208291493924
Energy: 1.2042368381684994
Energy: 1.1540587717323192
Energy: 1.13809857991211
Energy: 1.154058771731568
Energy: 1.122707303812355
Energy: 1.0916040836174001
Energy: 1.121049030447573
Energy: 1.0916040836174001
Energy: 1.0335282802645958
Energy: 1.153514117925032
Energy: 1.205020413914675
Energy: 1.1535141179235293
Energy: 1.126337876829267
Energy: 1.1528176255180274
Energy: 1.066533201956712
Energy: 1.152817625522535
Energy: 1.0753674863322202
Energy: 1.0992200550197755
Energy: 1.0388503157761766
Energy: 1.0992200550250346
Energy: 1.016901078349216
Energy: 1.1046651311148252
Energy: 1.0804603878651453
Energy: 1.1046651311178306
Energy: 1.0327581458455606
Energy: 1.0099469056426158
Energy: 1.008634688399383
Energy: 1.0099469056441184
Energy: 0.9937993330724667
Energy: 1.0144040743658822
Energy: 1.0111905097613199
Energy: 1.0144040743621257
Energy: 1.0638603126271713
Energy: 1.0640325372797845
Energy: 0.9939701513237792
Energy: 1.0640325372745254
Energy: 1.0157687319811877
Energy: 1.0106562324130846
Energy: 1.0329328780761913
Energy: 1.0106562324160897
Energy: 1.0167126686274004
Energy: 1.0643507309975626
Energy: 1.068317432689713
Energy: 1.0643507309938063
Energy: 1.0135735548942648
Energy: 1.0132928002009727
Energy: 1.0151694763074097
Energy: 1.0132928002017243
Energy: 1.0207331157206003
Energy: 1.0161507045943956
Energy: 1.3829201699469753
Energy: 1.0161507045989033
Energy: 1.014358284775625
Energy: 1.0119646974048593
Energy: 1.0156519748608506
Energy: 1.0119646973973462
Energy: 1.0501947775177685
Energy: 1.1062012315459546
Energy: 1.0757477405701925
Energy: 1.1062012315429497
Energy: 1.0593397927231951
Energy: 1.1006936606420659
Energy: 1.0825377907525648
Energy: 1.1006936606420659
Energy: 1.1330562953562338
Energy: 1.1562658747920314
Energy: 1.2041974262320458
Energy: 1.156265874795788
Energy: 1.1190896711546938
Energy: 1.150411372796442
Energy: 1.124486868398459
Energy: 1.150411372794188
Energy: 1.205702613927384
Energy: 1.153425865244215
Energy: 1.0359244616333156
Energy: 1.153425865244966
Energy: 1.0618062115556377
Energy: 1.1539596364189473
Energy: 1.1247916588717743
Energy: 1.1539596364249578
Energy: 1.1233318483508097
Energy: 1.0995101907266653
Energy: 1.0750755616313028
Energy: 1.0995101907281681
Energy: 1.0819513083408507
Energy: 1.1039505061502317
Energy: 1.0148513551098797
Energy: 1.103950506153988
Energy: 1.0077772071249806
Energy: 1.0092385982377057
Energy: 1.031505635455152
Energy: 1.0092385982392083
Energy: 1.0116309299276878
Energy: 1.0109602438799397
Energy: 0.9930246093108307
Energy: 1.0109602438821594
Energy: 0.9933745631908535
Energy: 1.0611532143808795
Energy: 1.0641839265866646
Energy: 1.0611532143861389

minimum gb energy = 0.9930246093108307 eV
minimum distance =  2.29360094147465 Angstroms
sigma value = 1


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

Energy: 1.659220248062107
Energy: 1.043268511643908
Energy: 1.1205795540433277
Energy: 1.117760504138992
Energy: 1.0881905690416107
Energy: 1.1577425943325452
Energy: 1.065576790918788
Energy: 1.1577425943214092
Energy: 1.1213389199752024
Energy: 1.1197117532695586
Energy: 1.539025682525361
Energy: 1.1197117532601555
Energy: 1.0700925857999035
Energy: 1.063578223380781
Energy: 1.0677223839357202
Energy: 1.063578223395343
Energy: 1.5402129742433477
Energy: 1.0621551529635778
Energy: 1.0685069565273633
Energy: 1.0621551529618647
Energy: 1.0679431936913482
Energy: 1.1954523262266046
Energy: 1.066595844095524
Energy: 1.1954523262334573
Energy: 1.1408915238170525
Energy: 1.1662108401667386
Energy: 1.3186831657033034
Energy: 1.166210840149626
Energy: 1.1458609409734846
Energy: 1.2133426773636524
Energy: 1.1207958393695983
Energy: 1.21334267735166
Energy: 1.0715189327648362
Energy: 1.2208051059868152
Energy: 1.2136635460413596
Energy: 1.2208051059928116
Energy: 1.117124110903654
Energy: 1.2233735558023386
Energy: 1.182876089162665
Energy: 1.2233735558015015
Energy: 1.084430126590499
Energy: 1.1641576843093102
Energy: 1.1515706344949415
Energy: 1.1641576843127368
Energy: 1.1414540836210951
Energy: 1.1709765377230295
Energy: 1.0680230343168386
Energy: 1.1709765377204788
Energy: 1.0599723412259463
Energy: 1.0605820992021089
Energy: 1.088433612016335
Energy: 1.0605820991961126
Energy: 1.0660278359137478
Energy: 1.063824289092577
Energy: 1.0376814463702153
Energy: 1.063824289081441
Energy: 1.038049977702657
Energy: 1.1169321251242352
Energy: 1.1175848150310979
Energy: 1.116932125126805
Energy: 1.0897584664519995
Energy: 1.0691429488842727
Energy: 1.0667677207863218
Energy: 1.0691429488868427
Energy: 1.1226108153632097
Energy: 1.117621504646627
Energy: 1.064953801127589
Energy: 1.1176215046432003
Energy: 1.0695724547107937
Energy: 1.0635449109486905
Energy: 1.0672177889195624
Energy: 1.063544910941857
Energy: 1.1193274277375322
Energy: 1.067031022018597
Energy: 1.0636586668453933
Energy: 1.0670310220168837
Energy: 1.0689594831486717
Energy: 1.062075219110451
Energy: 1.065450269325977
Energy: 1.0620752191309901
Energy: 1.1415608920087612
Energy: 1.2259424842116924
Energy: 1.3185938697366697
Energy: 1.2259424842245414
Energy: 1.0719967692032193
Energy: 1.1684477162748297
Energy: 1.1154635713094911
Energy: 1.1684477162731164
Energy: 1.3218702880543598
Energy: 1.2216606297257733
Energy: 1.1781318267387064
Energy: 1.2216606297206336
Energy: 1.1143149222423638
Energy: 1.219266028004365
Energy: 1.186033262989552
Energy: 1.2192660280052214
Energy: 1.1407322740072001
Energy: 1.167094432543717
Energy: 1.149923774793358
Energy: 1.1670944325488561
Energy: 1.1839745529718955
Energy: 1.1696627015113736
Energy: 1.067832099967309
Energy: 1.1696627015148002
Energy: 1.0588004729412404
Energy: 1.0607547674340845
Energy: 1.1390198049340792
Energy: 1.0607547674392244
Energy: 1.0660254965051073
Energy: 1.0617195834992468
Energy: 1.0370118219749758
Energy: 1.0617195834906807
Energy: 1.037112636383963
Energy: 1.1140568579423489
Energy: 1.1174593931739296
Energy: 1.1140568579474888

minimum gb energy = 1.0370118219749758 eV
minimum distance =  2.28957872206038 Angstroms
sigma value = 25


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

Energy: 1.5965665787426153
Energy: 1.0946305823167948
Energy: 1.1812623772391118
Energy: 1.1776093139428732
Energy: 1.164845022514117
Energy: 1.2174776398211493
Energy: 1.1255949792836275
Energy: 1.217477639822145
Energy: 1.1761203253664267
Energy: 1.1766515139098812
Energy: 1.4697658193522607
Energy: 1.1766515139128684
Energy: 1.1401160580063214
Energy: 1.1210451954154521
Energy: 1.124684844808006
Energy: 1.1210451954144562
Energy: 1.470063836052673
Energy: 1.1204456736489279
Energy: 1.1235818083182028
Energy: 1.1204456736489279
Energy: 1.1394221585095117
Energy: 1.2853383241819478
Energy: 1.1259618621479628
Energy: 1.2853383241799565
Energy: 1.1279107949926794
Energy: 1.251186589768348
Energy: 1.2464017041272508
Energy: 1.2511865897703394
Energy: 1.1311369365469937
Energy: 1.2562682908856186
Energy: 1.1760718418360911
Energy: 1.256268290888606
Energy: 1.2505087039278595
Energy: 1.2471356397268312
Energy: 1.0893976192221744
Energy: 1.247135639727827
Energy: 1.229729499588731
Energy: 1.252364927222422
Energy: 1.1249676037886394
Energy: 1.252364927222422
Energy: 1.08367556580416
Energy: 1.1212151830067696
Energy: 1.1215082402521848
Energy: 1.121215183008761
Energy: 1.0835705705448495
Energy: 1.1216141411572613
Energy: 1.124732044686126
Energy: 1.1216141411582572
Energy: 1.177682085105251
Energy: 1.17439732427944
Energy: 1.083767921413616
Energy: 1.174397324280436
Energy: 1.1250744906786405
Energy: 1.1316651690707102
Energy: 1.1660482965649555
Energy: 1.131665169068719
Energy: 1.4688186164208918
Energy: 1.1757447967378067
Energy: 1.1784751802239812
Energy: 1.1757447967358152
Energy: 1.1277795620104398
Energy: 1.1246929770130616
Energy: 1.1294309602037762
Energy: 1.1246929770140575
Energy: 1.1265312818174287
Energy: 1.1295927618643926
Energy: 1.1748734405325458
Energy: 1.1295927618634196
Energy: 1.1262156915855361
Energy: 1.1193531334334665
Energy: 1.1387621979832896
Energy: 1.1193531334354578
Energy: 1.246327464157938
Energy: 1.3015505188697152
Energy: 1.1287612032180234
Energy: 1.3015505188697152
Energy: 1.1072943674597895
Energy: 1.250307052819839
Energy: 1.1315285425418429
Energy: 1.250307052823822
Energy: 1.0877627425009258
Energy: 1.247010353803954
Energy: 1.250035327176793
Energy: 1.247010353803954
Energy: 1.246913296095076
Energy: 1.2480757184649967
Energy: 1.2291674355546565
Energy: 1.2480757184679838
Energy: 1.1195797593464847
Energy: 1.1216694554058781
Energy: 1.0844229275057036
Energy: 1.1216694554038866
Energy: 1.1248508960472359
Energy: 1.1215102528628356
Energy: 1.0851674990833124
Energy: 1.1215102528628356
Energy: 1.081800053013195
Energy: 1.1737396686155368
Energy: 1.1781325467635613
Energy: 1.1737396686165327

minimum gb energy = 1.081800053013195 eV
minimum distance =  2.29510631356533 Angstroms
sigma value = 9


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

Energy: 1.6168447059960511
Energy: 1.204543056628121
Energy: 1.2653107447623106
Energy: 1.2627667828475846
Energy: 1.2343670519765684
Energy: 1.2975318845735275
Energy: 1.2375085702823507
Energy: 1.2975318845747152
Energy: 1.2626977643330413
Energy: 1.262904768751955
Energy: 1.3079170343607334
Energy: 1.2629047687578945
Energy: 1.2302984784672246
Energy: 1.2991302955963189
Energy: 1.183146243137446
Energy: 1.2991302955915676
Energy: 1.4374304939382863
Energy: 1.213081277788386
Energy: 1.2193485600674563
Energy: 1.2130812777848223
Energy: 1.2291684597378854
Energy: 1.2284129848041936
Energy: 1.2370606059119218
Energy: 1.228412984801818
Energy: 1.3051873957439504
Energy: 1.3657381793024694
Energy: 1.1873082840866744
Energy: 1.3657381793012815
Energy: 1.2890378563338623
Energy: 1.350233181005383
Energy: 1.1823893043883171
Energy: 1.350233181004195
Energy: 1.2726385862446368
Energy: 1.271952088466916
Energy: 1.1940247224572558
Energy: 1.271952088462178
Energy: 1.2837537900448959
Energy: 1.258624000879223
Energy: 1.176844881366836
Energy: 1.258624000879223
Energy: 1.1301853964934507
Energy: 1.1324472156446517
Energy: 1.15321628089453
Energy: 1.1324472156493897
Energy: 1.2871212577371136
Energy: 1.1321092669369015
Energy: 1.1551711370254159
Energy: 1.1321092669345254
Energy: 1.3231477242394147
Energy: 1.3168634624201112
Energy: 1.300211365047871
Energy: 1.3168634624201112
Energy: 1.2910921072046562
Energy: 1.2589734231560312
Energy: 1.247845775241303
Energy: 1.2589734231584069
Energy: 1.4377198083947251
Energy: 1.250797502145563
Energy: 1.155355498680845
Energy: 1.2507975021443751
Energy: 1.2195044273903748
Energy: 1.2500217246848895
Energy: 1.1559016687954933
Energy: 1.2500217246872518
Energy: 1.2701530564746017
Energy: 1.3997508915155459
Energy: 1.1555666588965396
Energy: 1.3997508915155459
Energy: 1.278986301211744
Energy: 1.3709111813006847
Energy: 1.15459794877207
Energy: 1.3709111812983088
Energy: 1.2130506599730733
Energy: 1.2128350206758411
Energy: 1.193632942109826
Energy: 1.2128350206758411
Energy: 1.2174854184646706
Energy: 1.2133458659608558
Energy: 1.194089441975489
Energy: 1.2133458659620435
Energy: 1.1951224516603285
Energy: 1.2630247435303747
Energy: 1.2629178693514862
Energy: 1.2630247435327504

minimum gb energy = 1.1301853964934507 eV
minimum distance =  2.27777280881998 Angstroms
sigma value = 25


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

Energy: 1.3501809082890703
Energy: 1.1908610669500208
Energy: 1.310225634863175
Energy: 1.3089733453924117
Energy: 1.3019093044622798
Energy: 1.2834244939662833
Energy: 1.3415462115694525
Energy: 1.2834244939692214
Energy: 1.3072079441486106
Energy: 1.3093663629646817
Energy: 1.6165244634046119
Energy: 1.3093663629632126
Energy: 1.3101637928587253
Energy: 1.2833048496179595
Energy: 1.2165970951379934
Energy: 1.2833048496194284
Energy: 1.2647127410156358
Energy: 1.3556491683385923
Energy: 1.2189471640770193
Energy: 1.3556491683371232
Energy: 1.1804682687814574
Energy: 1.3589408207139826
Energy: 1.2148957272296088
Energy: 1.3589408207125135
Energy: 1.3507560367224707
Energy: 1.270400235362963
Energy: 1.2674690877010273
Energy: 1.270400235361494
Energy: 1.173215114272145
Energy: 1.3558466236916173
Energy: 1.2207240362195948
Energy: 1.355846623688679
Energy: 1.3099354836328658
Energy: 1.3063359804557912
Energy: 1.4338433511014597
Energy: 1.3063359804557912
Energy: 1.3445002758864288
Energy: 1.1829733121933614
Energy: 1.3007902396701252
Energy: 1.1829733121918926
Energy: 1.2647094033127138
Energy: 1.3079905091859307
Energy: 1.3147359654031314
Energy: 1.3079905091859307
Energy: 1.1780355508100555
Energy: 1.3544409034090668
Energy: 1.3071179939089197
Energy: 1.3544409034090668
Energy: 1.2158298407583494
Energy: 1.3565551581197288
Energy: 1.264142252827569
Energy: 1.3565551581211979
Energy: 1.22196201525772
Energy: 1.3555633519112482
Energy: 1.1835308794922481
Energy: 1.3555633519097792
Energy: 1.2690626559728646
Energy: 1.267816522461816
Energy: 1.172621682515751
Energy: 1.267816522463285
Energy: 1.2154221197494113
Energy: 1.3541709381447122
Energy: 1.1734027860338492
Energy: 1.354170938140305
Energy: 1.4267144647581118
Energy: 1.3072200818448512
Energy: 1.3091320427470472
Energy: 1.3072200818433821

minimum gb energy = 1.172621682515751 eV
minimum distance =  2.29020165010868 Angstroms
sigma value = 17


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

Energy: 1.835540095479063
Energy: 1.3421716126382048
Energy: 1.4201772352809765
Energy: 1.4170303138779194
Energy: 1.1979636209012738
Energy: 1.2523488411770944
Energy: 1.3483417389609795
Energy: 1.2523488411779267
Energy: 1.2690724499075965
Energy: 1.2672438198652707
Energy: 1.680269839183972
Energy: 1.2672438198694305
Energy: 1.2689805955474027
Energy: 1.3472762758449828
Energy: 1.282948942410428
Energy: 1.3472762758433185
Energy: 1.4175914173325252
Energy: 1.377696685946868
Energy: 1.303483805811308
Energy: 1.3776966859485322
Energy: 1.2639308914631036
Energy: 1.3779530043032662
Energy: 1.2690230273062306
Energy: 1.3779530043024342
Energy: 1.5079474744828258
Energy: 1.2636884366913315
Energy: 1.2661258361232566
Energy: 1.2636884366913315
Energy: 1.4960640683147735
Energy: 1.264089266591022
Energy: 1.3320351659734786
Energy: 1.264089266591854
Energy: 1.4217906452114553
Energy: 1.414160355107781
Energy: 1.4250191297232515
Energy: 1.414160355108613
Energy: 1.4150946643539353
Energy: 1.3455636223101237
Energy: 1.3707538578052736
Energy: 1.345563622314284
Energy: 1.4136756692300725
Energy: 1.3174674099127608
Energy: 1.2251281967547587
Energy: 1.3174674099102837
Energy: 1.3516164538906041
Energy: 1.2556732206323822
Energy: 1.257599467225576
Energy: 1.2556732206332142
Energy: 1.3297458595693916
Energy: 1.2532289444382285
Energy: 1.2501072802131663
Energy: 1.2532289444365645
Energy: 1.331378365638961
Energy: 1.2531895521848293
Energy: 1.226917881215421
Energy: 1.253189552182333
Energy: 1.413373934766904
Energy: 1.4144580232526152
Energy: 1.4978305226778765
Energy: 1.414458023255943
Energy: 1.4321504131502285
Energy: 1.413621733266066
Energy: 1.4932971265917934
Energy: 1.413621733269394
Energy: 1.421485449849329
Energy: 1.2648788071015018
Energy: 1.26852488784836
Energy: 1.2648788070956778
Energy: 1.4201745078423058
Energy: 1.264718881475949
Energy: 1.2656287518835516
Energy: 1.264718881475949
Energy: 1.2728906810683578
Energy: 1.3767623662228892
Energy: 1.26844553893529
Energy: 1.3767623662237212
Energy: 1.2966767333741427
Energy: 1.3787440530341097
Energy: 1.2682887608993676
Energy: 1.3787440530366062
Energy: 1.269837836082147
Energy: 1.2825212426391763
Energy: 1.4290483490332573
Energy: 1.2825212426425048
Energy: 1.2677309641072934
Energy: 1.2843200690492915
Energy: 1.5229211317566929
Energy: 1.2843200690476277
Energy: 1.3494052879205451
Energy: 1.3330857837787595
Energy: 1.3514299649728585
Energy: 1.3330857837854155
Energy: 1.417419284589836
Energy: 1.414213836133313
Energy: 1.4158384512730913
Energy: 1.414213836132481
Energy: 1.2552023132696706
Energy: 1.2531571701387385
Energy: 1.4175840941089648
Energy: 1.2531571701412343
Energy: 1.2573442162384545
Energy: 1.2548951316199408
Energy: 1.4091811188996626
Energy: 1.2548951316174448
Energy: 1.2250602019138581
Energy: 1.2331589823071547
Energy: 1.3260571279466395
Energy: 1.2331589823096507
Energy: 1.2579602883749563
Energy: 1.2568023758016273
Energy: 1.3321452801138345
Energy: 1.2568023758024593
Energy: 1.2545678248221042
Energy: 1.251239995140658
Energy: 1.3430658864616576
Energy: 1.251239995144818
Energy: 1.4936362644875705
Energy: 1.4146664812081462
Energy: 1.4177412684125426
Energy: 1.4146664812098104

minimum gb energy = 1.1979636209012738 eV
minimum distance =  2.2655851286601 Angstroms
sigma value = 53


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

Energy: 1.694704560438034
Energy: 1.1572728735486113
Energy: 1.3229953813561246
Energy: 1.3196527781871634
Energy: 1.4839504774693393
Energy: 1.229979839340087
Energy: 1.315530217914973
Energy: 1.2299798393438957
Energy: 1.319025801339744
Energy: 1.3180499493147546
Energy: 1.4053109212293755
Energy: 1.31804994931667
Energy: 1.3170434330109733
Energy: 1.2307599513922243
Energy: 1.3140528860590406
Energy: 1.2307599513941399
Energy: 1.3189643150513708
Energy: 1.2294359922447597
Energy: 1.14731044226869
Energy: 1.229435992254337
Energy: 1.313179499326243
Energy: 1.2322502318925135
Energy: 1.1317382817947712
Energy: 1.2322502318925135
Energy: 1.4765088633976857
Energy: 1.3156370730899314
Energy: 1.3146032719414462
Energy: 1.3156370730899314
Energy: 1.4801410554986403
Energy: 1.3150393100904596
Energy: 1.3142248022206653
Energy: 1.315039310092375
Energy: 1.3176352311687158
Energy: 1.3183721944399434
Energy: 1.313602847855084
Energy: 1.3183721944437743
Energy: 1.3116083126965945
Energy: 1.3169502942425793
Energy: 1.318924506055473
Energy: 1.3169502942425793
Energy: 1.3181008587643044
Energy: 1.2381273244973452
Energy: 1.157297929934358
Energy: 1.2381273244992603
Energy: 1.3181329847890668
Energy: 1.2292033017813786
Energy: 1.1345294702737416
Energy: 1.2292033017775479
Energy: 1.479357364706475
Energy: 1.3150830210228874
Energy: 1.3172497322161358
Energy: 1.3150830210267184

minimum gb energy = 1.1317382817947712 eV
minimum distance =  2.28463817059851 Angstroms
sigma value = 9


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

Energy: 1.6450724939697408
Energy: 1.3758014668337182
Energy: 1.482446169663442
Energy: 1.4733843644079925
Energy: 1.3003923078650672
Energy: 1.2339749255646677
Energy: 1.4750028184112696
Energy: 1.233974925571757
Energy: 1.2574939337862596
Energy: 1.2393738835712078
Energy: 1.5372688613865346
Energy: 1.2393738835712078
Energy: 1.2515743108066886
Energy: 1.236532657111398
Energy: 1.5382164012447734
Energy: 1.2365326571043083
Energy: 1.2361292736015486
Energy: 1.2331802227187054
Energy: 1.5582906447746347
Energy: 1.2331802227116162
Energy: 1.233177921403447
Energy: 1.234045994235545
Energy: 1.5565541938023164
Energy: 1.2340459942426345
Energy: 1.4800081291766545
Energy: 1.449143420420166
Energy: 1.4702567763347074
Energy: 1.4491434204272233
Energy: 1.5770403303841287
Energy: 1.4472460525781905
Energy: 1.4477379512131447
Energy: 1.4472460525781905
Energy: 1.2986406741001963
Energy: 1.4019839005033097
Energy: 1.3319573678802183
Energy: 1.4019839005033097
Energy: 1.2362640098499507
Energy: 1.335427138020951
Energy: 1.4566089739390728
Energy: 1.335427138020951
Energy: 1.289909034799305
Energy: 1.2908439134328633
Energy: 1.3598453845503025
Energy: 1.2908439134399528
Energy: 1.3145891333250572
Energy: 1.2952834949069476
Energy: 1.5539620167992565
Energy: 1.2952834949069476
Energy: 1.4735397615275683
Energy: 1.2927462995311325
Energy: 1.3226876343762366
Energy: 1.2927462995240433
Energy: 1.475064340808039
Energy: 1.2935224265556358
Energy: 1.2986411539550973
Energy: 1.2935224265556358
Energy: 1.4464209277505151
Energy: 1.340241800450297
Energy: 1.3111600003543895
Energy: 1.3402418004573862
Energy: 1.4272191164524324
Energy: 1.4021892451278868
Energy: 1.3146335359594572
Energy: 1.402189245134976
Energy: 1.454317263994563
Energy: 1.3689250586129171
Energy: 1.2960606911298749
Energy: 1.3689250586129171
Energy: 1.4780916862942046
Energy: 1.455451031344918
Energy: 1.645087072348888
Energy: 1.455451031344918
Energy: 1.4774382787036926
Energy: 1.2395566244472886
Energy: 1.3016094244365597
Energy: 1.239556624461435
Energy: 1.5370201418434521
Energy: 1.2429311618151264
Energy: 1.2518128601067637
Energy: 1.2429311618222156
Energy: 1.5383657133661808
Energy: 1.2349671908918929
Energy: 1.2406221321810598
Energy: 1.234967190898982
Energy: 1.557108640131313
Energy: 1.2328757391678515
Energy: 1.233645367030486
Energy: 1.232875739174941
Energy: 1.5571514087773657
Energy: 1.2353520628661212
Energy: 1.2332281209025002
Energy: 1.235352062859032
Energy: 1.474682031733113
Energy: 1.448441973652132
Energy: 1.5676188657727108
Energy: 1.448441973652132
Energy: 1.4488777507176844
Energy: 1.447046862847535
Energy: 1.5796430948527478
Energy: 1.447046862847535
Energy: 1.333524791834377
Energy: 1.4009432953389769
Energy: 1.2937097971952207
Energy: 1.4009432953318877
Energy: 1.4549661527769753
Energy: 1.3353212571389945
Energy: 1.235683734794732
Energy: 1.3353212571389945
Energy: 1.4024865287549797
Energy: 1.291344473372369
Energy: 1.2909921422047412
Energy: 1.2913444733794586
Energy: 1.6459518787396463
Energy: 1.3786694785431886
Energy: 1.3201324093747369
Energy: 1.3786694785431886
Energy: 1.3234732868650259
Energy: 1.2929349369389975
Energy: 1.473739127066387
Energy: 1.2929349369460545
Energy: 1.306745975745212
Energy: 1.2959785898843998
Energy: 1.5354030096420752
Energy: 1.2959785898914895
Energy: 1.3067086821802516
Energy: 1.3025411399926075
Energy: 1.4468611679480283
Energy: 1.302541140006786
Energy: 1.3114164552577912
Energy: 1.4042988315798735
Energy: 1.3593407498865857
Energy: 1.404298831572784
Energy: 1.2943650141428655
Energy: 1.3737225486531648
Energy: 1.3671703397751587
Energy: 1.3737225486531648
Energy: 1.6440558488985904
Energy: 1.4494982334164348
Energy: 1.470718166635737
Energy: 1.4494982334164348

minimum gb energy = 1.2328757391678515 eV
minimum distance =  2.29436235007442 Angstroms
sigma value = 73


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

Energy: 1.7775824056891487
Energy: 1.3321128781962162
Energy: 1.4407072667658367
Energy: 1.4386987560105127
Energy: 1.3129788834550782
Energy: 1.2641871970628102
Energy: 1.400020835972088
Energy: 1.2641871970616854
Energy: 1.2812531333553328
Energy: 1.2754868165499205
Energy: 1.4954969942178151
Energy: 1.2754868165487956
Energy: 1.276094814623035
Energy: 1.2729856964744368
Energy: 1.5270321831725266
Energy: 1.2729856964722128
Energy: 1.2733752138472565
Energy: 1.2714467994421028
Energy: 1.4725588768051323
Energy: 1.2714467994387284
Energy: 1.3379420036949021
Energy: 1.269005079480125
Energy: 1.4946166358599668
Energy: 1.2690050794902479
Energy: 1.4045689664125538
Energy: 1.4390840870573922
Energy: 1.4629738665576917
Energy: 1.4390840870607664
Energy: 1.3406340844775957
Energy: 1.4349788906115668
Energy: 1.434867912747161
Energy: 1.434978890607068
Energy: 1.3228899737215023
Energy: 1.4992462224337801
Energy: 1.497567911868046
Energy: 1.499246222430406
Energy: 1.3328563151833186
Energy: 1.4438422239890023
Energy: 1.4411295002166729
Energy: 1.443842223980004
Energy: 1.3228381914122547
Energy: 1.2336941892857058
Energy: 1.4395955763637942
Energy: 1.2336941892801074
Energy: 1.3316410093753142
Energy: 1.246222173260405
Energy: 1.5731911098924234
Energy: 1.246222173262629
Energy: 1.4563132630584117
Energy: 1.3440792592446393
Energy: 1.3052754773756283
Energy: 1.3440792592435147
Energy: 1.4450237826049541
Energy: 1.3200365236586964
Energy: 1.3117819135467679
Energy: 1.3200365236541973
Energy: 1.4636552651834254
Energy: 1.3157869129832473
Energy: 1.3176793629019554
Energy: 1.3157869129821225
Energy: 1.5186231934237369
Energy: 1.3100667596591562
Energy: 1.3176617901638479
Energy: 1.3100667596546571
Energy: 1.4715371497649834
Energy: 1.3048717777506973
Energy: 1.316301911581696
Energy: 1.30487177775967
Energy: 1.4442047053107492
Energy: 1.417232381144567
Energy: 1.5247518253335337
Energy: 1.417232381144567
Energy: 1.402397906217605
Energy: 1.405295445512575
Energy: 1.3590097508620727
Energy: 1.4052954455159492
Energy: 1.440796885413221
Energy: 1.3821645060020062
Energy: 1.402566349933855
Energy: 1.3821645059963823
Energy: 1.3998245081948468
Energy: 1.3781175747647214
Energy: 1.3385509054392015
Energy: 1.378117574761347
Energy: 1.5507916792714898
Energy: 1.3892863900808
Energy: 1.3903772438549884
Energy: 1.3892863900774257

minimum gb energy = 1.2336941892801074 eV
minimum distance =  2.27728891124379 Angstroms
sigma value = 7


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

Energy: 2.0809541776356113
Energy: 1.292336873904801
Energy: 1.4483892996716115
Energy: 1.4440432183605143
Energy: 1.373436446116393
Energy: 1.385719125070247
Energy: 1.5179020079113381
Energy: 1.3857191250726333
Energy: 1.269009501829643
Energy: 1.268993110989941
Energy: 1.3999427949208851
Energy: 1.2689931109994852
Energy: 1.2766311894374587
Energy: 1.271698148655494
Energy: 1.5139943134420337
Energy: 1.2716981486594707
Energy: 1.266951511215152
Energy: 1.2642675006353272
Energy: 1.4954109420962634
Energy: 1.2642675006416901
Energy: 1.386293870239413
Energy: 1.263173525619623
Energy: 1.4924146880814901
Energy: 1.263173525600535
Energy: 1.484376925171019
Energy: 1.268815781432683
Energy: 1.2739513215411418
Energy: 1.2688157814430223
Energy: 1.514787428587816
Energy: 1.2617836893973873
Energy: 1.261736843330342
Energy: 1.26178368939182
Energy: 1.5170253643439893
Energy: 1.2684463626680365
Energy: 1.2673448830724676
Energy: 1.2684463626823528
Energy: 1.521405433761807
Energy: 1.4553754704013901
Energy: 1.2657043121870122
Energy: 1.4553754704045712
Energy: 1.509889567852382
Energy: 1.3826250395490185
Energy: 1.3916726182131653
Energy: 1.3826250395625392
Energy: 1.3935250878245349
Energy: 1.3863105615815792
Energy: 1.4965481118620545
Energy: 1.3863105615951001
Energy: 1.3912985232279718
Energy: 1.3892886022893802
Energy: 1.3853382712924858
Energy: 1.3892886022774502
Energy: 1.3987737213746947
Energy: 1.3631570691557067
Energy: 1.2910630160812782
Energy: 1.3631570691135537
Energy: 1.38505966026697
Energy: 1.3918313652079386
Energy: 1.2825585970451916
Energy: 1.3918313652007803
Energy: 1.469824756112269
Energy: 1.3874614678645545
Energy: 1.3941353051701213
Energy: 1.3874614678884147
Energy: 1.2898725473131063
Energy: 1.3822711284316147
Energy: 1.512151712541581
Energy: 1.3822711283894618
Energy: 1.2656026545375694
Energy: 1.4554772413959993
Energy: 1.3994159121698875
Energy: 1.4554772414222457
Energy: 1.2698197429197502
Energy: 1.2680395276299523
Energy: 1.5161623727261369
Energy: 1.2680395276061283
Energy: 1.2631360744645477
Energy: 1.260985769603073
Energy: 1.2890024978410162
Energy: 1.2609857696181486
Energy: 1.268710070077794
Energy: 1.2688024123591926
Energy: 1.5149108281418617
Energy: 1.2688024123496846
Energy: 1.5175314164450586
Energy: 1.2638708922692734
Energy: 1.281869429759571
Energy: 1.2638708922533666
Energy: 1.4782515285551276
Energy: 1.2657039513991533
Energy: 1.2663819940218362
Energy: 1.2657039513776789
Energy: 1.5148396347754975
Energy: 1.272488510223464
Energy: 1.2736797217977118
Energy: 1.2724885102178967
Energy: 1.520498101874733
Energy: 1.2692038952501357
Energy: 1.269725840732744
Energy: 1.269203895234265
Energy: 1.486758164729757
Energy: 1.3845788297119896
Energy: 1.270973188460734
Energy: 1.384578829710399
Energy: 1.4459346600354817
Energy: 1.4455744707183198
Energy: 1.7988322646248334
Energy: 1.4455744707238871
Energy: 1.3854384048314416
Energy: 1.3879549952898858
Energy: 1.3934555705048164
Energy: 1.387954995302611
Energy: 1.4054732529480825
Energy: 1.361214270300127
Energy: 1.391485166464732
Energy: 1.3612142702945598
Energy: 1.382115422412888
Energy: 1.4042133968116128
Energy: 1.290664433409514
Energy: 1.4042133968020687
Energy: 1.5030824272248071
Energy: 1.3828686946654416
Energy: 1.3861309570794207
Energy: 1.3828686946749857

minimum gb energy = 1.260985769603073 eV
minimum distance =  2.26852704186888 Angstroms
sigma value = 29


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

Energy: 1.2126082158615699
Energy: 1.2136964348108668
Energy: 1.3456905183623704
Energy: 1.444213930911101
Energy: 1.2130265619597072
Energy: 1.3205931242215885
Energy: 1.2297634564083821
Energy: 1.3205931242215885
Energy: 1.222182002622605
Energy: 1.3115587953429915
Energy: 1.212618988908808
Energy: 1.3115587953429915
Energy: 1.212313606874494
Energy: 1.2206688811536062
Energy: 1.2198208231502632
Energy: 1.2206688811536062
Energy: 1.2177410366071102
Energy: 1.2212040719572974
Energy: 1.2138510730962417
Energy: 1.2212040719600064
Energy: 1.2184147011229516
Energy: 1.3161819681042515
Energy: 1.212773657046706
Energy: 1.3161819681042515
Energy: 1.2124977921628664
Energy: 1.3154244803286927
Energy: 1.2213407788162132
Energy: 1.3154244803286927
Energy: 1.2253498788367307
Energy: 1.221290026890352
Energy: 1.2154694893722542
Energy: 1.221290026890352
Energy: 1.2123784676681424
Energy: 1.2217638557191057
Energy: 1.2175695215534856
Energy: 1.2217638557191057

minimum gb energy = 1.212313606874494 eV
minimum distance =  2.23696140830088 Angstroms
sigma value = 5


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

Energy: 1.6956519747406997
Energy: 1.1611691263916692
Energy: 1.3724875853578833
Energy: 1.373445373215499
Energy: 1.2319465898694777
Energy: 1.2070912514770225
Energy: 1.3895647919857108
Energy: 1.2070912514747685
Energy: 1.382496856341991
Energy: 1.30826808231167
Energy: 1.3899731006284972
Energy: 1.308268082312421
Energy: 1.2315543071085338
Energy: 1.1994641314173597
Energy: 1.3764288780231726
Energy: 1.1994641314038368
Energy: 1.372288320374037
Energy: 1.1996702160199657
Energy: 1.3848751124523861
Energy: 1.1996702160192148
Energy: 1.2038919227982774
Energy: 1.2011037391553092
Energy: 1.3850765811263543
Energy: 1.2011037391598172
Energy: 1.1978551768147494
Energy: 1.197594218621913
Energy: 1.3769185202790726
Energy: 1.1975942186264208
Energy: 1.2094831560387713
Energy: 1.2092829778879
Energy: 1.5079385740732152
Energy: 1.2092829778886511
Energy: 1.2449402570702324
Energy: 1.2348488258354053
Energy: 1.520536243909212
Energy: 1.234848825833903
Energy: 1.4580153606404131
Energy: 1.1634001654082489
Energy: 1.1646710155282012
Energy: 1.1634001654007358
Energy: 1.2499953804855541
Energy: 1.1639668825346074
Energy: 1.1639367367525761
Energy: 1.1639668825353588
Energy: 1.522835925334698
Energy: 1.1667320525009628
Energy: 1.1658524069017964
Energy: 1.1667320525009628
Energy: 1.507873587584216
Energy: 1.1652855854400106
Energy: 1.1728488597101958
Energy: 1.165285585441513
Energy: 1.242995660244251
Energy: 1.2350037732381607
Energy: 1.3842122803906909
Energy: 1.2350037732404147
Energy: 1.2057638422093162
Energy: 1.2009537783799793
Energy: 1.384013345914995
Energy: 1.2009537783792281
Energy: 1.2086340732171688
Energy: 1.2029783173369
Energy: 1.3785591807184812
Energy: 1.2029783173466668
Energy: 1.1989588760907843
Energy: 1.1973476755873556
Energy: 1.232061216746866
Energy: 1.1973476755835992
Energy: 1.3860541712706524
Energy: 1.208929772773416
Energy: 1.3510816080529338
Energy: 1.208929772770411
Energy: 1.3948256376420272
Energy: 1.3113570263535117
Energy: 1.3858550456860754
Energy: 1.3113570263490042
Energy: 1.3784586006625492
Energy: 1.197833296558031
Energy: 1.2291032506656752
Energy: 1.1978332965557772
Energy: 1.3822840666139902
Energy: 1.2024091785692073
Energy: 1.377370776205899
Energy: 1.202409178566202
Energy: 1.3838068399840426
Energy: 1.1988932625301714
Energy: 1.1996447623447672
Energy: 1.1988932625316737
Energy: 1.3741617556375685
Energy: 1.1999348068737767
Energy: 1.2005223963411848
Energy: 1.1999348068790359
Energy: 1.5089739201321457
Energy: 1.2058783539199418
Energy: 1.2075660688108614
Energy: 1.2058783539116775
Energy: 1.5200994982924145
Energy: 1.2349756834090886
Energy: 1.2429412923852496
Energy: 1.2349756834015757
Energy: 1.1663002928522619
Energy: 1.1651875086007328
Energy: 1.4584393741174575
Energy: 1.1651875087298869
Energy: 1.1631279572355575
Energy: 1.1628492166511601
Energy: 1.25323000870902
Energy: 1.1628492166549167
Energy: 1.165959275431274
Energy: 1.163864419587562
Energy: 1.2536202084874655
Energy: 1.1638644195905674
Energy: 1.1703275423143429
Energy: 1.1650217029280392
Energy: 1.507223358253984
Energy: 1.1650217029280392
Energy: 1.3857159403708104
Energy: 1.2354987878034651
Energy: 1.2476736442240957
Energy: 1.2354987877952353
Energy: 1.385283820258915
Energy: 1.201895653795086
Energy: 1.2065253492094492
Energy: 1.2018956537980914
Energy: 1.3755106082217257
Energy: 1.2002802029056778
Energy: 1.206288367923061
Energy: 1.2002802029086832
Energy: 1.2385695926086129
Energy: 1.1974786116348572
Energy: 1.198312999784752
Energy: 1.1974786116258758

minimum gb energy = 1.1611691263916692 eV
minimum distance =  2.22216726265352 Angstroms
sigma value = 1


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

Energy: 1.8293260161453673
Energy: 1.1068469593571617
Energy: 1.3399492400176336
Energy: 1.1449309767510174
Energy: 1.1932889612266477
Energy: 1.1502982038801008
Energy: 1.3962146534068567
Energy: 1.1502982038749072
Energy: 1.39670662492283
Energy: 1.2840450489341662
Energy: 1.3997078404432888
Energy: 1.2840450489196231
Energy: 1.1801802436814175
Energy: 1.2844237046358045
Energy: 1.3856654678972247
Energy: 1.2844237046368432
Energy: 1.1510426089544945
Energy: 1.1437773653265075
Energy: 1.3941163847715876
Energy: 1.1437773653420895
Energy: 1.145331108118532
Energy: 1.1458698660494635
Energy: 1.3940274047191903
Energy: 1.1458698660494635
Energy: 1.1439093725376053
Energy: 1.1445832501214004
Energy: 1.3932879248954324
Energy: 1.1445832501286481
Energy: 1.1530568379762685
Energy: 1.150630060249991
Energy: 1.579117449322757
Energy: 1.1506300602489523
Energy: 1.396696543273723
Energy: 1.1979485881713483
Energy: 1.5856672463539465
Energy: 1.1979485881786198
Energy: 1.3974889101175736
Energy: 1.1532972030330564
Energy: 1.156256856314546
Energy: 1.1532972030330564
Energy: 1.3950305818219921
Energy: 1.1438172219926426
Energy: 1.1406023277351407
Energy: 1.1438172220030303
Energy: 1.5729328045715074
Energy: 1.147226366717681
Energy: 1.1480913345589876
Energy: 1.1472263667187197
Energy: 1.5711655491477923
Energy: 1.143558916774007
Energy: 1.1500069862526983
Energy: 1.1435589167812785
Energy: 1.1529202790160864
Energy: 1.1447841508356478
Energy: 1.397758683942965
Energy: 1.1447841508356478
Energy: 1.1879746733579695
Energy: 1.2830801351685577
Energy: 1.4000746906546648
Energy: 1.2830801351685577
Energy: 1.1973295642280206
Energy: 1.1466848556175897
Energy: 1.1497893740062843
Energy: 1.1466848556123959
Energy: 1.1463470007464902
Energy: 1.143831771130601
Energy: 1.3962485900789918
Energy: 1.14383177113164
Energy: 1.1525619314063509
Energy: 1.1531273061389484
Energy: 1.3857803588012427
Energy: 1.1531273061295992
Energy: 1.1452757428648306
Energy: 1.1443725467066959
Energy: 1.5845057532651017
Energy: 1.144372546701502
Energy: 1.1488206099688032
Energy: 1.149762037029192
Energy: 1.5794118556570762
Energy: 1.1497620370323085
Energy: 1.394268682102156
Energy: 1.1996346824775224
Energy: 1.384510457835614
Energy: 1.199634682475445
Energy: 1.3945381596422515
Energy: 1.1474584300745934
Energy: 1.1530538832522528
Energy: 1.1474584300756319
Energy: 1.1488674361870146
Energy: 1.1496131057351906
Energy: 1.1487374637285794
Energy: 1.1496131057341514
Energy: 1.5718224855754646
Energy: 1.142926788265775
Energy: 1.142869594971686
Energy: 1.1429267882585032

minimum gb energy = 1.1068469593571617 eV
minimum distance =  2.23036477283424 Angstroms
sigma value = 17


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

Energy: 1.957178391114518
Energy: 1.1048117185169017
Energy: 1.3410463904138
Energy: 1.3379910447908725
Energy: 1.1576298955444428
Energy: 1.137423321252344
Energy: 1.2953342054819132
Energy: 1.137423321252344
Energy: 1.4142497961113114
Energy: 1.130587082336177
Energy: 1.3061730341815387
Energy: 1.1305870823425976
Energy: 1.4331938967878464
Energy: 1.1989218515222635
Energy: 1.2810246134697072
Energy: 1.1989218515158722
Energy: 1.2544280050283008
Energy: 1.1075553071230937
Energy: 1.4589200851455875
Energy: 1.1075553071230937
Energy: 1.1049557053875074
Energy: 1.1061298420689394
Energy: 1.4539026954400123
Energy: 1.1061298420689394
Energy: 1.1042514698487311
Energy: 1.105838730345177
Energy: 1.1572762115722777
Energy: 1.105838730345177
Energy: 1.1067020646197383
Energy: 1.1066391286723076
Energy: 1.4452919052476132
Energy: 1.106639128678728
Energy: 1.4398732154036074
Energy: 1.1050713560086447
Energy: 1.409709306303588
Energy: 1.1050713560086447
Energy: 1.3212701910187203
Energy: 1.201212335051572
Energy: 1.2901171122723722
Energy: 1.2012123350579633
Energy: 1.4342568623459544
Energy: 1.1279488549942582
Energy: 1.1479836130268277
Energy: 1.1279488549942582
Energy: 1.4465454150714663
Energy: 1.132549096452532
Energy: 1.2814785694786897
Energy: 1.132549096452532
Energy: 1.4573345575021912
Energy: 1.1282192253115824
Energy: 1.1259878379108417
Energy: 1.1282192253115824
Energy: 1.1326143682398624
Energy: 1.1309563839366494
Energy: 1.1305508722838673
Energy: 1.1309563839366494
Energy: 1.4232577860671556
Energy: 1.1350786162658155
Energy: 1.141000072187075
Energy: 1.135078616272236
Energy: 1.4820703734553098
Energy: 1.1301586043026455
Energy: 1.12932987546563
Energy: 1.1301586042898044
Energy: 1.1311833513006138
Energy: 1.1404626627823071
Energy: 1.4277124737675007
Energy: 1.1404626627694663
Energy: 1.1273402208179277
Energy: 1.1281546033345513
Energy: 1.4394247630251025
Energy: 1.128154603340972
Energy: 1.1406894218473298
Energy: 1.139645646561627
Energy: 1.403772828968019
Energy: 1.1396456465552065
Energy: 1.133960963058838
Energy: 1.1290975677564263
Energy: 1.4461462890171863
Energy: 1.1290975677628468
Energy: 1.3001326871874623
Energy: 1.1334042704878091
Energy: 1.1341089267125135
Energy: 1.1334042704878091
Energy: 1.3042711426003961
Energy: 1.1294884228063733
Energy: 1.4218223299011488
Energy: 1.1294884227999527
Energy: 1.2822503678556532
Energy: 1.1968389062909566
Energy: 1.423343933542513
Energy: 1.1968389062845362
Energy: 1.466826994117655
Energy: 1.1060952336792882
Energy: 1.2554579480055863
Energy: 1.1060952336792882
Energy: 1.448021887114297
Energy: 1.1041367131731648
Energy: 1.1047170836220657
Energy: 1.1041367131731648
Energy: 1.1586739008294606
Energy: 1.1053819283221105
Energy: 1.103446679049796
Energy: 1.1053819283221105
Energy: 1.4439085308449247
Energy: 1.1058245256824066
Energy: 1.1083524660638875
Energy: 1.1058245256824066
Energy: 1.283035800033357
Energy: 1.1049629368973635
Energy: 1.4422200080194725
Energy: 1.1049629368973635
Energy: 1.2962228313044644
Energy: 1.2001211806625922
Energy: 1.3155750441156313
Energy: 1.2001211806690129
Energy: 1.1507247753208285
Energy: 1.1280025503293734
Energy: 1.4323088767909755
Energy: 1.1280025503293734
Energy: 1.2803468327620742
Energy: 1.1289542963897103
Energy: 1.45111791971382
Energy: 1.1289542963897103
Energy: 1.127526721854
Energy: 1.128448615879438
Energy: 1.4525305122185195
Energy: 1.128448615879438
Energy: 1.1275901560323025
Energy: 1.1282293678466973
Energy: 1.1313705435859656
Energy: 1.128229367853118
Energy: 1.1433219326647948
Energy: 1.1387612797934965
Energy: 1.4271989497993163
Energy: 1.1387612797934965
Energy: 1.3076562548116422
Energy: 1.1623779675171921
Energy: 1.4753445381731898
Energy: 1.1623779675171921
Energy: 1.4330588935717086
Energy: 1.1355991828241752
Energy: 1.1406525741719262
Energy: 1.1355991828241752
Energy: 1.4318326725791712
Energy: 1.1277569244648915
Energy: 1.1260309601673129
Energy: 1.1277569244713121
Energy: 1.409894849700585
Energy: 1.131609355918278
Energy: 1.1350783593657232
Energy: 1.131609355918278

minimum gb energy = 1.103446679049796 eV
minimum distance =  2.22714887885227 Angstroms
sigma value = 89


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

Energy: 2.101340581933809
Energy: 1.033242169026744
Energy: 1.2789188667942202
Energy: 1.0412854597931203
Energy: 1.0419566574222148
Energy: 1.153758733624704
Energy: 1.0622277629936525
Energy: 1.1537587336213442
Energy: 1.0558255108727872
Energy: 1.1525471521949395
Energy: 1.0648213243271232
Energy: 1.1525471521966195
Energy: 1.0336339012597673
Energy: 1.1471237415570925
Energy: 1.0408877173399038
Energy: 1.1471237415554125
Energy: 1.0396591084206495
Energy: 1.0472976194043333
Energy: 1.0631500659314097
Energy: 1.0472976194009733
Energy: 1.046423935793222
Energy: 1.0445001971582806
Energy: 1.0637118463006707
Energy: 1.0445001971599608
Energy: 1.044948210711659
Energy: 1.0371741130426884
Energy: 1.0463900400238917
Energy: 1.0371741130443684
Energy: 1.0383677554066129
Energy: 1.0459674748628796
Energy: 1.0364444413345615
Energy: 1.0459674748628796
Energy: 1.0478100708632156
Energy: 1.0376120286510992
Energy: 1.0378422527204345
Energy: 1.037612028649419
Energy: 1.0576795776892731
Energy: 1.1443993601006945
Energy: 1.0464656666851644
Energy: 1.1443993600973534
Energy: 1.0436996453441933
Energy: 1.1383557360972845
Energy: 1.0292250432515002
Energy: 1.1383557360972845
Energy: 1.0396380985313851
Energy: 1.037378070781184
Energy: 1.0448836043069865
Energy: 1.037378070777824
Energy: 1.0628016124234814
Energy: 1.0471662693818333
Energy: 1.0446178374228363
Energy: 1.0471662693835135
Energy: 1.043805588390374
Energy: 1.0370882866133686
Energy: 1.0364831583699499
Energy: 1.0370882866083289
Energy: 1.0343500101711451
Energy: 1.046798312881486
Energy: 1.0449609093822732
Energy: 1.046798312881486

minimum gb energy = 1.0292250432515002 eV
minimum distance =  2.26320710527659 Angstroms
sigma value = 13


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

Energy: 1.848188670457496
Energy: 0.9826069428034591
Energy: 1.2468144859103425
Energy: 1.24633548475579
Energy: 0.9914516796197999
Energy: 0.9942693532594661
Energy: 1.1598485539509589
Energy: 0.9942693532594661
Energy: 0.9903649655906577
Energy: 0.987163736273323
Energy: 1.1682690655948695
Energy: 0.9871637362662818
Energy: 1.3434417812987565
Energy: 0.9871768101225873
Energy: 1.1553614194401993
Energy: 0.9871768101085046
Energy: 1.1616008467204118
Energy: 0.9936430132400488
Energy: 1.150910145226489
Energy: 0.9936430132400488
Energy: 1.165343363644871
Energy: 0.9907740055027517
Energy: 1.148346370639204
Energy: 0.9907740054957105
Energy: 1.1605067563841507
Energy: 0.986792490091301
Energy: 1.151381976584649
Energy: 0.986792490091301
Energy: 0.997445491734511
Energy: 0.9882158305570826
Energy: 1.1583463043708104
Energy: 0.9882158305500414
Energy: 0.9854962584728402
Energy: 0.986729043938833
Energy: 1.163075195436814
Energy: 0.986729043938833
Energy: 0.9864417670511882
Energy: 0.9845585312605779
Energy: 1.1614391248139655
Energy: 0.9845585312605779
Energy: 0.9900569204251031
Energy: 0.9882392478238433
Energy: 1.8457645474384
Energy: 0.9882392478238433
Energy: 1.1506150432143383
Energy: 0.98511130084949
Energy: 1.1611289695135363
Energy: 0.9851113008565311
Energy: 1.155366225637308
Energy: 1.0457515762027438
Energy: 1.1500608431589094
Energy: 1.0457515762379181
Energy: 1.1559207961099611
Energy: 1.044925199980277
Energy: 1.345795923889452
Energy: 1.0449252000013687
Energy: 1.1784807615541255
Energy: 0.9903386211925409
Energy: 1.1564451072879052
Energy: 0.9903386211714171
Energy: 1.1716855781353235
Energy: 0.9914048408587034
Energy: 0.9990199816330902
Energy: 0.9914048408727858
Energy: 1.3229853635386082
Energy: 0.9877566072407721
Energy: 0.9927415628817724
Energy: 0.9877566072478133
Energy: 0.9932803872106843
Energy: 0.9891282988469434
Energy: 0.9920122179366877
Energy: 0.9891282988117372
Energy: 1.3029994369294842
Energy: 0.9858869518694909
Energy: 1.1499811283419301
Energy: 0.9858869518624497
Energy: 1.1570877993808324
Energy: 0.9855357082041805
Energy: 1.1729965958672555
Energy: 0.9855357082323456
Energy: 1.4061825464735715
Energy: 0.9890029007177278
Energy: 1.1500474989184202
Energy: 0.9890029007177278
Energy: 1.1570947416037063
Energy: 0.9881319737251145
Energy: 1.1478565102983183
Energy: 0.9881319737251145
Energy: 1.1494703611961075
Energy: 0.9897118881705301
Energy: 1.1499221688855004
Energy: 0.9897118881705301
Energy: 0.9929589387194669
Energy: 0.9856544575938314
Energy: 1.1555347872772748
Energy: 0.98565445758679
Energy: 1.1527317725555277
Energy: 0.9869528336909039
Energy: 1.1754286353659231
Energy: 0.9869528337190688
Energy: 0.986533727166651
Energy: 0.9858056581164778
Energy: 1.1688871082094594
Energy: 0.9858056581164778
Energy: 0.9850381750745681
Energy: 0.9860655895339634
Energy: 1.1570712315109277
Energy: 0.9860655895621283
Energy: 0.9866787144979202
Energy: 0.9878519228803494
Energy: 0.9949909760150786
Energy: 0.9878519228803494
Energy: 1.1479388961921797
Energy: 0.9859966745929518
Energy: 1.3044229563024419
Energy: 0.9859966745929518
Energy: 1.1729597621439936
Energy: 1.0452281617540353
Energy: 1.149181507561302
Energy: 1.0452281617610446
Energy: 1.1584962229762799
Energy: 1.0474172321810045
Energy: 1.4047787892391388
Energy: 1.0474172321880457
Energy: 1.170094586433875
Energy: 0.9900741108183168
Energy: 1.1481378984363515
Energy: 0.9900741108042663
Energy: 1.180166115924133
Energy: 0.9886290403387367
Energy: 0.9887541082455319
Energy: 0.9886290403106036
Energy: 1.3267424538581685
Energy: 0.9856832192007972
Energy: 0.9870462131244806
Energy: 0.9856832192007972
Energy: 1.3036574888027999
Energy: 0.9876730652669925
Energy: 0.9906014683490323
Energy: 0.98767306525291

minimum gb energy = 0.9826069428034591 eV
minimum distance =  2.25651819686816 Angstroms
sigma value = 37


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

Energy: 1.6240243701549955
Energy: 0.9138987629260968
Energy: 1.1852524665788686
Energy: 0.9171287139882942
Energy: 0.911099396824561
Energy: 0.9096470845576081
Energy: 1.187686577670017
Energy: 0.9096470845576081
Energy: 1.4523490707818252
Energy: 0.910276190259687
Energy: 1.1989837193488166
Energy: 0.9102761902608986
Energy: 1.4478394948227131
Energy: 1.0188366030368203
Energy: 0.9270140912482269
Energy: 1.0188366030368203
Energy: 0.9289561876967867
Energy: 1.0248837085248104
Energy: 1.1901479302012279
Energy: 1.0248837085248104
Energy: 1.1955914382173072
Energy: 0.9114786850028204
Energy: 0.9068956031300206
Energy: 0.911478685001609
Energy: 0.9156612480125872
Energy: 0.9089566670700063
Energy: 0.926631979972965
Energy: 0.9089566670724292
Energy: 0.9259781442557331
Energy: 0.9173524919654223
Energy: 1.1775908733698877
Energy: 0.9173524919642111
Energy: 0.9161769310471148
Energy: 0.9116530518043205
Energy: 1.1772461354729062
Energy: 0.9116530518043205
Energy: 0.9111707029122779
Energy: 0.9109322002202366
Energy: 0.9272915958139262
Energy: 0.9109322002190251
Energy: 1.1852524665825028
Energy: 0.9171287139604453
Energy: 1.6240243701574184
Energy: 0.9138987629260968
Energy: 1.187686577670017
Energy: 0.909647084560031
Energy: 0.9110993968269839
Energy: 0.9096470845588196
Energy: 1.1989837193488166
Energy: 0.9102761902584756
Energy: 1.4523490707842481
Energy: 0.9102761902608986
Energy: 0.9270140912554954
Energy: 1.0188366030343974
Energy: 1.4478394948227131
Energy: 1.0188366030343974
Energy: 1.1901479302036506
Energy: 1.0248837085235991
Energy: 0.928956187700421
Energy: 1.0248837085248104
Energy: 0.9068956031203291
Energy: 0.9114786850028204
Energy: 1.1955914382173072
Energy: 0.9114786850028204
Energy: 0.9266319803192812
Energy: 0.9089566670724292
Energy: 0.9156612480137986
Energy: 0.9089566670712177
Energy: 1.1775908733674645
Energy: 0.9173524919666338
Energy: 0.9259781442520989
Energy: 0.9173524919666338
Energy: 1.177246135465638
Energy: 0.911653051805532
Energy: 0.9161769310483263
Energy: 0.9116530518043205
Energy: 1.0708302422000013
Energy: 0.9109322002202366
Energy: 0.9111707029110665
Energy: 0.9109322002202366

minimum gb energy = 0.9068956031203291 eV
minimum distance =  2.26816851859285 Angstroms
sigma value = 25


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

Energy: 2.1442013612832227
Energy: 0.8246415935570798
Energy: 1.1189806302744432
Energy: 0.8323396571312494
Energy: 1.3804336105567718
Energy: 0.8284323049683658
Energy: 1.0630353489349127
Energy: 0.8284323049664738
Energy: 1.5804462971388211
Energy: 0.8248425643690238
Energy: 1.0623891569119592
Energy: 0.8248425643727862
Energy: 1.3766691933506354
Energy: 0.8239666994876094
Energy: 1.0583224833408833
Energy: 0.8239666994819336
Energy: 1.2939093645292157
Energy: 0.920112947744434
Energy: 1.4842133242078477
Energy: 0.9201129477387581
Energy: 1.3796537201571717
Energy: 0.9151691378822542
Energy: 1.4878271206449154
Energy: 0.9151691378728161
Energy: 1.3864171362983702
Energy: 0.8171355209772029
Energy: 1.2865596209634944
Energy: 0.8171355209677648
Energy: 1.0452732208938387
Energy: 0.8115836212338741
Energy: 1.571411545745131
Energy: 0.8115836212386038
Energy: 1.0627646248462406
Energy: 0.8130388182822614
Energy: 1.2747456377998085
Energy: 0.8130388182737477
Energy: 1.0440047128063246
Energy: 0.8130644450335742
Energy: 1.6668379598956393
Energy: 0.8130644450392285
Energy: 0.9381272509443485
Energy: 0.8129618700616913
Energy: 1.825256308139707
Energy: 0.8129618700588535
Energy: 0.9315806954532418
Energy: 0.8136184065365877
Energy: 1.6666415034216007
Energy: 0.8136184065413175
Energy: 0.9374872422374703
Energy: 0.8131828720593518
Energy: 1.2755171629989466
Energy: 0.8131828720555678
Energy: 0.9543606124847024
Energy: 0.812684571802163
Energy: 1.6599357513438637
Energy: 0.8126845718012171
Energy: 1.164249696153771
Energy: 0.8101022890671875
Energy: 1.2723460211113038
Energy: 0.8101022890634036
Energy: 1.1623443451863469
Energy: 0.8125660730795812
Energy: 1.5833390319983847
Energy: 0.8125660730710675
Energy: 1.2930543277547388
Energy: 0.8121396828856631
Energy: 1.586405900651853
Energy: 0.8121396828922847
Energy: 1.1732128441899696
Energy: 0.9105245890781174
Energy: 1.2752294414782477
Energy: 0.9105245890743336
Energy: 1.4720243807715216
Energy: 0.9006978062882012
Energy: 1.3849698083480968
Energy: 0.900697806291039
Energy: 1.2936372748480554
Energy: 0.9072049146380493
Energy: 1.3808667991620325
Energy: 0.9072049146399412
Energy: 1.5707258273140807
Energy: 0.9051083483054743
Energy: 1.0666974404763225
Energy: 0.9051083483083121
Energy: 1.2929024840631926
Energy: 0.8229020765378602
Energy: 0.9356929321100526
Energy: 0.822902076535968
Energy: 1.3825818699580512
Energy: 0.8256454212280608
Energy: 1.052977280325537
Energy: 0.8256454212204931
Energy: 1.5725319921141068
Energy: 0.8254295317916166
Energy: 0.8363687329213062
Energy: 0.8254295317954006
Energy: 1.2949615547287463
Energy: 0.823867204998855
Energy: 0.8259702789180303
Energy: 0.823867204998855
Energy: 1.578026049527424
Energy: 0.824497133472801
Energy: 0.8345742272286023
Energy: 0.824497133469963

minimum gb energy = 0.8101022890634036 eV
minimum distance =  2.26374530435391 Angstroms
sigma value = 41


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

Energy: 1.8565991046760673
Energy: 0.741674634034242
Energy: 1.0521174790860466
Energy: 0.7406315081085146
Energy: 1.477391431199358
Energy: 0.7382066899704408
Energy: 0.9341179374595782
Energy: 0.7382066899673386
Energy: 1.8118397997658924
Energy: 0.7389905046987114
Energy: 0.9377010652785152
Energy: 0.7389905046979359
Energy: 1.495466885267826
Energy: 0.7383864151871852
Energy: 0.9409712891008076
Energy: 0.7383864151840831
Energy: 1.4898298231544835
Energy: 0.7366323260244398
Energy: 1.3135908056215966
Energy: 0.7366323260298686
Energy: 1.4798819935338297
Energy: 0.9917035089438317
Energy: 1.307276497316297
Energy: 0.9917035089438317
Energy: 1.4927998935482258
Energy: 0.815791098038365
Energy: 1.488929890414195
Energy: 0.815791098038365
Energy: 1.3108832309024894
Energy: 0.8144407033215145
Energy: 1.3162821176237987
Energy: 0.8144407033246166
Energy: 1.1296005485338148
Energy: 0.743483962175577
Energy: 1.644252756562598
Energy: 0.743483962184108
Energy: 1.129083487511182
Energy: 0.7368269873730839
Energy: 1.4966757836884308
Energy: 0.736826987364553
Energy: 0.9404895781141643
Energy: 0.7401918722620383
Energy: 1.4901149539630751
Energy: 0.7401918722674671
Energy: 0.9378574699416827
Energy: 0.737041396485514
Energy: 1.497299394134307
Energy: 0.737041396485514
Energy: 0.9364844262201076
Energy: 0.7418760441423027
Energy: 1.6388211335399707
Energy: 0.7418760441314451
Energy: 0.7435774214759524
Energy: 0.7409545034183918
Energy: 1.6398915498235735
Energy: 0.7409545034176163
Energy: 0.7399533460089832
Energy: 0.7379554377505427
Energy: 1.492500201793741
Energy: 0.7379554377528694
Energy: 0.7396159816969522
Energy: 0.7388476763939298
Energy: 1.811442228343623
Energy: 0.7388476763923787
Energy: 0.9468641053407193
Energy: 0.7396750540401116
Energy: 1.4753662793122924
Energy: 0.7396750540354584
Energy: 0.9386327916688799
Energy: 0.7373857145583196
Energy: 1.4914860288688851
Energy: 0.7373857145660396
Energy: 0.9379411692353219
Energy: 0.7388201679481358
Energy: 1.4865341205342417
Energy: 0.7388201679520136
Energy: 1.3103419088784396
Energy: 0.7368094286837404
Energy: 1.4813914749565835
Energy: 0.736809428686067
Energy: 1.3089554382963906
Energy: 0.7373681639844604
Energy: 1.4916059483737532
Energy: 0.7373681639860113
Energy: 1.312105197119638
Energy: 0.8183482337422704
Energy: 1.4915608015719897
Energy: 0.8183482337414947
Energy: 1.6466463987034403
Energy: 0.8128461819751701
Energy: 1.4768867928469072
Energy: 0.8128461819743946
Energy: 1.31484844135058
Energy: 0.8137163369195545
Energy: 1.3124991130053818
Energy: 0.8137163369125747
Energy: 1.4903570146647211
Energy: 0.7402770930030441
Energy: 1.138772689146156
Energy: 0.7402770929976153
Energy: 1.6457557662011717
Energy: 0.7366182623623418
Energy: 1.3101141012209672
Energy: 0.7366182623638929
Energy: 1.6540969967495502
Energy: 0.7378635883670152
Energy: 0.9411243864508396
Energy: 0.7378635883654642
Energy: 1.4927608723207877
Energy: 0.7370880496987401
Energy: 0.9391336978297942
Energy: 0.7370880496979646
Energy: 1.6533565642144878
Energy: 0.7400238800536064
Energy: 0.9452875571419558
Energy: 0.7400238800505042
Energy: 1.646858933798131
Energy: 0.7392032944594826
Energy: 0.7412311191838903
Energy: 0.7392032944556048
Energy: 1.4925715991423245
Energy: 0.738056162774151
Energy: 0.7411837123205688
Energy: 0.7380561627780288
Energy: 1.4820013775809902
Energy: 0.7409757853659503
Energy: 0.7433061193940916
Energy: 0.7409757853628482

minimum gb energy = 0.7366182623623418 eV
minimum distance =  2.27358614767344 Angstroms
sigma value = 15


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

Energy: 1.647867487161494
Energy: 0.682382923180456
Energy: 1.0052940034445126
Energy: 0.6838089536706163
Energy: 1.6147417161071
Energy: 0.6777669627331775
Energy: 0.8468934171999617
Energy: 0.6777669627331775
Energy: 1.903261247891138
Energy: 0.6790379212606804
Energy: 0.8504748868937804
Energy: 0.6790379212606804
Energy: 1.6366080029055239
Energy: 0.6822315768871361
Energy: 0.8751149179696562
Energy: 0.6822315768871361
Energy: 1.6317697577629597
Energy: 0.6769539174659924
Energy: 1.1746270056653054
Energy: 0.6769539174725624
Energy: 1.6218569616252136
Energy: 0.6786826919840139
Energy: 1.1718843116753899
Energy: 0.6786826918789257
Energy: 1.3317010187111695
Energy: 0.6800111310588925
Energy: 1.4748142723593916
Energy: 0.6800111310523228
Energy: 1.4859604183909412
Energy: 0.9212008622796445
Energy: 1.181088224246081
Energy: 0.9212008622796445
Energy: 1.3256459410793033
Energy: 1.1071173221366455
Energy: 1.4697884958879621
Energy: 1.1071173221301054
Energy: 1.3238767304014196
Energy: 0.7515514811268534
Energy: 1.6299072892467825
Energy: 0.7515514811268534
Energy: 1.1912860740238242
Energy: 0.9156660620938883
Energy: 1.4723252451960025
Energy: 0.9156660621004582
Energy: 1.0173078513193599
Energy: 0.6762445756829214
Energy: 1.7547712042605794
Energy: 0.6762445756763513
Energy: 1.173268676189596
Energy: 0.6776599777797514
Energy: 1.759034175628372
Energy: 0.6776599777731813
Energy: 0.8640985284541708
Energy: 0.681675401110115
Energy: 1.4866282038334067
Energy: 0.6816754010969753
Energy: 0.8514071445334107
Energy: 0.6770175652468986
Energy: 1.6274262149821153
Energy: 0.6770175652468986
Energy: 0.8590996157252891
Energy: 0.6806000835853528
Energy: 1.7664819428839715
Energy: 0.6806000835853528
Energy: 0.6908538370876444
Energy: 0.6792309671527802
Energy: 1.7717906878987693
Energy: 0.6792309671527802
Energy: 0.6777257023347486
Energy: 0.6773508698226781
Energy: 1.6248073905065488
Energy: 0.6773508698226781
Energy: 0.6880816817622322
Energy: 0.6802729843774026
Energy: 1.6298944320914663
Energy: 0.6802729843839725
Energy: 0.8593478937042048
Energy: 0.6813680802126595
Energy: 1.9057076606588366
Energy: 0.6813680802126595
Energy: 0.8522327542752898
Energy: 0.6771254789060481
Energy: 1.6266282121916846
Energy: 0.677125478912618
Energy: 0.8619310506687096
Energy: 0.6809592917816533
Energy: 1.6340546596660388
Energy: 0.6809592917750834
Energy: 1.1738855382925875
Energy: 0.6776056813859292
Energy: 1.6168940850129208
Energy: 0.6776056813793593
Energy: 1.1792434297354277
Energy: 0.6782440282299494
Energy: 1.6255253018147533
Energy: 0.6782440282430594
Energy: 1.1902177849693478
Energy: 0.916948517170839
Energy: 1.3409834827775309
Energy: 0.9169485171774089
Energy: 1.4743400260772643
Energy: 0.9213367228090685
Energy: 1.6358010934883846
Energy: 0.9213367228090685
Energy: 1.17380755361075
Energy: 0.7514908611599902
Energy: 1.4717779413962906
Energy: 0.7514908611665302
Energy: 1.484241410968156
Energy: 0.921606274808441
Energy: 1.3425975079698051
Energy: 0.921606274808441
Energy: 1.4809444634832183
Energy: 0.9143697757761028
Energy: 1.4750303471797648
Energy: 0.9143697757761028
Energy: 1.473368379854116
Energy: 0.6872084036306243
Energy: 1.1735778898812739
Energy: 0.6872084036240546
Energy: 1.6294167622223532
Energy: 0.6760588220820629
Energy: 1.0175481053559765
Energy: 0.6760588220886327
Energy: 1.4868190769293845
Energy: 0.6815392460657594
Energy: 1.04896841149683
Energy: 0.6815392460657594
Energy: 1.7612386294371838
Energy: 0.6798115346725261
Energy: 0.8539966874702212
Energy: 0.6798115346725261
Energy: 1.7555054201097102
Energy: 0.6781468463849147
Energy: 0.853336766843842
Energy: 0.6781468463849147
Energy: 1.7535336320843875
Energy: 0.682738672739699
Energy: 0.6852943914185158
Energy: 0.682738672739699
Energy: 1.7545999679527429
Energy: 0.6802859696430319
Energy: 0.6797594170573238
Energy: 0.6802859696430319
Energy: 1.8973212926691387
Energy: 0.6791190052991796
Energy: 0.682494641822439
Energy: 0.6791190052991796

minimum gb energy = 0.6760588220820629 eV
minimum distance =  2.28250799890959 Angstroms
sigma value = 85


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

Energy: 1.7675454649416753
Energy: 0.6265341454605194
Energy: 0.6209672085311325
Energy: 0.6226325248372977
Energy: 1.7069809381089323
Energy: 0.6179329772514454
Energy: 0.7677771627131922
Energy: 0.6179329772565736
Energy: 1.7077963690642297
Energy: 0.6186483103954191
Energy: 0.7688000095607226
Energy: 0.6186483103999777
Energy: 1.4463545026991758
Energy: 0.6181911048068534
Energy: 1.0554226023659492
Energy: 0.6181911048034344
Energy: 1.7184150970400924
Energy: 0.6167863192992242
Energy: 1.0559628824914458
Energy: 0.6167863192975148
Energy: 1.4519313348279796
Energy: 0.6196473603947666
Energy: 1.0580610498113703
Energy: 0.619647360402174
Energy: 1.4474389129544858
Energy: 0.6171277236393811
Energy: 1.3285192337815996
Energy: 0.6171277236382414
Energy: 1.5835802400448507
Energy: 0.618409425064715
Energy: 1.0587180127162945
Energy: 0.6184094250612961
Energy: 1.4516406848767904
Energy: 1.0286419580221924
Energy: 1.3217963406595723
Energy: 1.028641958023332
Energy: 1.4592317803156774
Energy: 1.0266551453327295
Energy: 1.5809679090438618
Energy: 1.026655145333869
Energy: 1.3229754664384983
Energy: 0.8594487045718697
Energy: 1.3203316810691994
Energy: 0.8594487045701604
Energy: 1.1960634550024623
Energy: 0.6175896326188094
Energy: 1.5813257067139437
Energy: 0.6175896326267866
Energy: 1.3204376803824307
Energy: 0.6195605115720725
Energy: 1.5794582818528382
Energy: 0.6195605115789102
Energy: 1.0558124408690976
Energy: 0.6175934270143869
Energy: 1.3182562563406142
Energy: 0.6175934270337474
Energy: 0.9183759018412487
Energy: 0.6166972357984105
Energy: 1.715285106680146
Energy: 0.6166972357989803
Energy: 1.060196349927336
Energy: 0.6173102408916549
Energy: 1.5801626042554915
Energy: 0.6173102408916549
Energy: 0.7721661071162398
Energy: 0.6187375990021092
Energy: 1.575688070888719
Energy: 0.6187375990049453
Energy: 0.7690199513451167
Energy: 0.6174818711874646
Energy: 1.7148668008644083
Energy: 0.6174818711868949
Energy: 0.7701703810560226
Energy: 0.6183349763663347
Energy: 1.7071273156128495
Energy: 0.6183349763651951
Energy: 0.6235356884799887
Energy: 0.6179230030157122
Energy: 1.7073137668952658
Energy: 0.6179230030185613
Energy: 0.6187995290839786
Energy: 0.6183119238999708
Energy: 1.7164251283435583
Energy: 0.6183119239005406
Energy: 0.6241812989123372
Energy: 0.6203209020885675
Energy: 1.7010335819730509
Energy: 0.6203209020805901
Energy: 0.774357766345302
Energy: 0.6180913693683706
Energy: 1.7045128301475747
Energy: 0.6180913693632424
Energy: 0.7682350437328729
Energy: 0.6171345720509596
Energy: 1.7182470953570999
Energy: 0.6171345720492502
Energy: 0.773108594996001
Energy: 0.618269640083399
Energy: 1.4468432119920902
Energy: 0.618269640083399
Energy: 1.055713197222338
Energy: 0.6166690258117596
Energy: 1.71037950446564
Energy: 0.6166690258128993
Energy: 1.0550165021572446
Energy: 0.6170075676744428
Energy: 1.7094721433834854
Energy: 0.6170075676790011
Energy: 1.0568650542534548
Energy: 0.6188652382284796
Energy: 1.4477936071855682
Energy: 0.6188652382256306
Energy: 1.3285838003102608
Energy: 0.6189732222561019
Energy: 1.7248267721219086
Energy: 0.6189732222578113
Energy: 1.3239291553344579
Energy: 1.0265592639249193
Energy: 1.4524200221564507
Energy: 1.0265592639266286
Energy: 1.4664288040139954
Energy: 0.8590436396307061
Energy: 1.195076759225043
Energy: 0.8590436396261606
Energy: 1.3196076353989337
Energy: 0.8588452108018477
Energy: 1.3220601280044735
Energy: 0.8588452108024176
Energy: 1.5820256963083463
Energy: 0.6169991493936969
Energy: 1.188596455401697
Energy: 0.6169991493834405
Energy: 1.7168572093552812
Energy: 0.6197990014419262
Energy: 1.1910728937590644
Energy: 0.6197990014362281
Energy: 1.3176570360272137
Energy: 0.6195816805828496
Energy: 1.0563339571366772
Energy: 0.6195816805777214
Energy: 1.7161339991276068
Energy: 0.6169222803519105
Energy: 1.0549899996512808
Energy: 0.6169222803484916
Energy: 1.709574019242197
Energy: 0.6171082878291855
Energy: 1.0543859035295486
Energy: 0.617108287822348
Energy: 1.57602761804622
Energy: 0.6177827431544362
Energy: 0.7715928410789098
Energy: 0.6177827431550059
Energy: 1.718498635574523
Energy: 0.6167026240162877
Energy: 0.7685320063917491
Energy: 0.6167026240219857
Energy: 1.7069997879864793
Energy: 0.6193456425618264
Energy: 0.7720076250896032
Energy: 0.6193456425635359
Energy: 1.574979016016442
Energy: 0.619378549276684
Energy: 0.6231828404426132
Energy: 0.6193785492727082
Energy: 1.7158260605001818
Energy: 0.6178115185880041
Energy: 0.618469083994264
Energy: 0.6178115185897135
Energy: 1.7011518427364785
Energy: 0.618110750712172
Energy: 0.6246203413731956
Energy: 0.6181107507104626

minimum gb energy = 0.6166690258117596 eV
minimum distance =  2.28548348950651 Angstroms
sigma value = 113


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

Energy: 0.009735393798441128
Energy: 0.011741441529140728
Energy: 1.4553737591718614
Energy: 0.5089795506744067
Energy: 0.010966050698860436
Energy: 0.1517809098800171
Energy: 1.0933953354616566
Energy: 0.1517809098800171
Energy: 0.010992172620232535
Energy: 0.14947819777322893
Energy: 1.0905087847648443
Energy: 0.149478197777512
Energy: 0.013142774779791136
Energy: 0.15056067789711694
Energy: 1.089399316239749
Energy: 0.15056067789711694
Energy: 1.092674163001006
Energy: 0.15426938579754823
Energy: 1.0945040862249111
Energy: 0.15426938580183125
Energy: 0.010815123251832162
Energy: 0.1487037247278872
Energy: 1.0901809631062218
Energy: 0.14870372472360419

minimum gb energy = 0.009735393798441128 eV
minimum distance =  2.5398036365308 Angstroms
sigma value = 1