Model name: model_name=Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5199999883770943
cohesive_energy=4.450349977937713
mass=58.6934
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: 0.018146658932483902
Energy: 0.0185018594018456
Energy: 0.57575815117978
Energy: 0.0185018594018456
Energy: 0.0185018594018456
Energy: 0.9508167844405429
Energy: 0.018501859401220826
Energy: 0.9508167844405429
Energy: 0.5757581511791185
Energy: 0.0185018594018456
Energy: 0.018146658932483902
Energy: 0.0185018594018456
Energy: 0.0185018594018456
Energy: 0.9508167844405429
Energy: 0.0185018594018456
Energy: 0.9508167844405429

minimum gb energy = 0.018146658932483902 eV
minimum distance =  2.43313590922224 Angstroms
sigma value = 1


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

Energy: 1.2341314663211185
Energy: 1.3283087138490624
Energy: 1.3253792702533733
Energy: 1.3283087138490624
Energy: 1.2357629420338951
Energy: 1.2834139982937725
Energy: 1.2314069105122474
Energy: 1.283413998294575
Energy: 1.1744294384844198
Energy: 1.3112758221276415
Energy: 1.2174128526680212
Energy: 1.3112758221276415
Energy: 1.2062712070265529
Energy: 1.2587737757244246
Energy: 1.1807721072683905
Energy: 1.2587737757636641
Energy: 1.204086853744969
Energy: 1.3300029258415207
Energy: 1.2344779571351572
Energy: 1.3300029258415207
Energy: 1.180149339559855
Energy: 1.4534362803996952
Energy: 1.1231666841191221
Energy: 1.4534362804004974
Energy: 1.2519287374630277
Energy: 1.31609421971101
Energy: 1.182157382445407
Energy: 1.3160942197102077
Energy: 1.1412857529374472
Energy: 1.3295735896053174
Energy: 1.1181312339257603
Energy: 1.3295735896053174
Energy: 1.182648815568042
Energy: 1.2044108000955305
Energy: 1.2397869590209902
Energy: 1.2044108000923213
Energy: 1.1227448645158953
Energy: 1.3111871812917402
Energy: 1.1329273460743365
Energy: 1.3111871812917402
Energy: 1.2397959714020295
Energy: 1.282671868789239
Energy: 1.1823524077664997
Energy: 1.282671868789239
Energy: 1.2194601764228234
Energy: 1.3289890334975814
Energy: 1.139722548321279
Energy: 1.3289890334983836
Energy: 1.2220072930813841
Energy: 1.3148931009673903
Energy: 1.2513993750674148
Energy: 1.314893100966588
Energy: 1.2171160931857399
Energy: 1.2759491216822731
Energy: 1.1622866478784852
Energy: 1.2759491216838779
Energy: 1.2343294029062006
Energy: 1.3288256751018108
Energy: 1.2001142951919277
Energy: 1.3288256751018108
Energy: 1.221366782921015
Energy: 1.329351309334075
Energy: 1.234887468680146
Energy: 1.329351309334075
Energy: 1.2170157621722797
Energy: 1.3109594019740267
Energy: 1.1410330523032
Energy: 1.3109594019740267
Energy: 1.2320524517739173
Energy: 1.2733916375360113
Energy: 1.2529574466427653
Energy: 1.2733916375360113
Energy: 1.1400060008781656
Energy: 1.3301695490007421
Energy: 1.1381588087012844
Energy: 1.3301695489999399
Energy: 1.2649691614259355
Energy: 1.2110299460293728
Energy: 1.1867070763213627
Energy: 1.2110299460365934
Energy: 1.1262623553309254
Energy: 1.3119623130945148
Energy: 1.1313335585528839
Energy: 1.3119623130945148
Energy: 1.1811418848603865
Energy: 1.2117442802921736
Energy: 1.3309856829200863
Energy: 1.2117442802945804
Energy: 1.3168288154708576
Energy: 1.3299790453411195
Energy: 1.1665065794618381
Energy: 1.3299790453419218
Energy: 1.2738422744910953
Energy: 1.3121877227088286
Energy: 1.1802944637617816
Energy: 1.3121877227088286
Energy: 1.1822477831314648
Energy: 1.4515353187181326
Energy: 1.3364318153283592
Energy: 1.4515353187181326
Energy: 1.2079224849506298
Energy: 1.3295682549427492
Energy: 1.189765594145387
Energy: 1.3295682549435517
Energy: 1.209515281082063
Energy: 1.3760842049618516
Energy: 1.18219533004914
Energy: 1.3760842049626543
Energy: 1.3145522058933012
Energy: 1.310314675566748
Energy: 1.2096155540642504
Energy: 1.310314675566748
Energy: 1.2343313978580948
Energy: 1.2765648603560804
Energy: 1.2198508577717035
Energy: 1.2765648603560804
Energy: 1.2350781282271137
Energy: 1.3293323020289916
Energy: 1.224703789121214
Energy: 1.3293323020289916
Energy: 1.2396818135435212
Energy: 1.276626541575309
Energy: 1.2215589400668585
Energy: 1.2766265415761113
Energy: 1.1922421003203454
Energy: 1.310063788981019
Energy: 1.216859719134252
Energy: 1.310063788981019
Energy: 1.204005716155373
Energy: 1.3024169512084505
Energy: 1.1751091199133685
Energy: 1.302416951206846

minimum gb energy = 1.1181312339257603 eV
minimum distance =  2.23511885889692 Angstroms
sigma value = 1


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

Energy: 1.2927793458628105
Energy: 1.2962730283817407
Energy: 1.3976686494108086
Energy: 1.2962730283817407
Energy: 1.262715252309669
Energy: 1.344558021635462
Energy: 1.2717476646326702
Energy: 1.3445580216372914
Energy: 1.2358308336041195
Energy: 1.2975082345556963
Energy: 1.2793248604788618
Energy: 1.2975082345556963
Energy: 1.170957740787306
Energy: 1.212523432822343
Energy: 1.212847695256479
Energy: 1.2125234328269168
Energy: 1.1708176391528289
Energy: 1.2765360707264402
Energy: 1.3364105476448762
Energy: 1.2765360707255253
Energy: 1.2834281368733962
Energy: 1.2769216693112138
Energy: 1.262741071585752
Energy: 1.276921669313958
Energy: 1.254912035090591
Energy: 1.213092820704377
Energy: 1.2128049092101365
Energy: 1.213092820704377
Energy: 1.1712445593990264
Energy: 1.2979788171407798
Energy: 1.1680462561812883
Energy: 1.2979788171426092
Energy: 1.2020659449913302
Energy: 1.256458368249414
Energy: 1.3073449511231077
Energy: 1.2564583682521582
Energy: 1.1697282328158192
Energy: 1.2988246879771346
Energy: 1.1745585616526315
Energy: 1.298824687972561
Energy: 1.2541168483475085
Energy: 1.2667355452481661
Energy: 1.271332808605633
Energy: 1.266735545247251
Energy: 1.1877858846561433
Energy: 1.350172310429076
Energy: 1.2795132089126453
Energy: 1.350172310428161
Energy: 1.2850107991072728
Energy: 1.281210891581565
Energy: 1.25278479641466
Energy: 1.2812108915833946
Energy: 1.284262940061969
Energy: 1.2803941433267692
Energy: 1.243212813168835
Energy: 1.2803941433267692
Energy: 1.187867397759205
Energy: 1.3504263892123622
Energy: 1.2791612558194894
Energy: 1.3504263892123622
Energy: 1.2542717294574468
Energy: 1.2665785794429167
Energy: 1.2715138842183042
Energy: 1.2665785794474902
Energy: 1.1700058116431948
Energy: 1.2970298193031176
Energy: 1.1734864217160117
Energy: 1.2970298193031176
Energy: 1.2020390124305749
Energy: 1.2584223478372867
Energy: 1.3072763994584709
Energy: 1.2584223477056453
Energy: 1.17121084247127
Energy: 1.2999180153910737
Energy: 1.1683551196850313
Energy: 1.2999180153919885
Energy: 1.2549148210406254
Energy: 1.2144462108776073
Energy: 1.2217685939274034
Energy: 1.2144462108803515
Energy: 1.2836277624143972
Energy: 1.277551763794613
Energy: 1.1690691995127227
Energy: 1.2775517638257143
Energy: 1.1710148009468293
Energy: 1.2773656379141165
Energy: 1.251965032186913
Energy: 1.2773656379141165
Energy: 1.1707487879088299
Energy: 1.212625074321783
Energy: 1.212376906361829
Energy: 1.2126250743226976
Energy: 1.2358011276701857
Energy: 1.2978643721179726
Energy: 1.2792254109422876
Energy: 1.297864372123461
Energy: 1.2627650452713164
Energy: 1.3453330665037377
Energy: 1.2713700239653267
Energy: 1.3453330665046526
Energy: 1.2927793458628105
Energy: 1.2962730283808257
Energy: 1.5015232252506971
Energy: 1.2962730283808257
Energy: 1.2627152523087541
Energy: 1.3445580216363768
Energy: 1.2717476646326702
Energy: 1.3445580216363768
Energy: 1.2358308336032047
Energy: 1.2975082345566114
Energy: 1.2793248604788618
Energy: 1.2975082345556963
Energy: 1.1709577407863911
Energy: 1.212523432828746
Energy: 1.2147915434538619
Energy: 1.2125234328269168

minimum gb energy = 1.1680462561812883 eV
minimum distance =  2.23934135162875 Angstroms
sigma value = 25


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

Energy: 1.2663277979803884
Energy: 1.443642586854518
Energy: 1.4827506520591287
Energy: 1.4436425868534548
Energy: 1.3240663641108759
Energy: 1.3504305549369349
Energy: 1.2506350105742996
Energy: 1.3504305549379982
Energy: 1.293196670027446
Energy: 1.4901652623305794
Energy: 1.225304469189006
Energy: 1.4901652623305794
Energy: 1.2126453238090202
Energy: 1.2603835901920941
Energy: 1.2470951137668063
Energy: 1.2603835901920941
Energy: 1.2481155641958168
Energy: 1.3935251316931456
Energy: 1.4207444401366711
Energy: 1.393525131691019
Energy: 1.3624359343476806
Energy: 1.4228146627028555
Energy: 1.4241904010062088
Energy: 1.4228146627007288
Energy: 1.3205524122201386
Energy: 1.2412223174473604
Energy: 1.2829433082985142
Energy: 1.2412223174473604
Energy: 1.4605387618584
Energy: 1.4498910629314108
Energy: 1.230979450933167
Energy: 1.4498910629314108
Energy: 1.2828984040489797
Energy: 1.3051024600286714
Energy: 1.318812686077337
Energy: 1.3051024600265446
Energy: 1.2277036817164144
Energy: 1.4220537533447855
Energy: 1.231945946828811
Energy: 1.4220537533447855
Energy: 1.3038872913931845
Energy: 1.4367494185400578
Energy: 1.2488275911201003
Energy: 1.4367494185400578
Energy: 1.3098406784841867
Energy: 1.442881913321425
Energy: 1.2495630023542124
Energy: 1.4428819133203614
Energy: 1.2410036866542495
Energy: 1.3227311009734315
Energy: 1.2338080916284178
Energy: 1.322731100972368
Energy: 1.2837279241238244
Energy: 1.2252340798659265
Energy: 1.3187987053993433
Energy: 1.2252340798669898
Energy: 1.2148483826382241
Energy: 1.4531648349168398
Energy: 1.2291833640780436
Energy: 1.4531648349168398
Energy: 1.3224658688722915
Energy: 1.2399925057830892
Energy: 1.2476710980518586
Energy: 1.2399925057830892
Energy: 1.2069067304754724
Energy: 1.490621329994369
Energy: 1.206694643415062
Energy: 1.490621329995432
Energy: 1.2473739493761258
Energy: 1.3253932470770253
Energy: 1.304597137500858
Energy: 1.3253932470770253
Energy: 1.216926804760192
Energy: 1.3269349946630298
Energy: 1.249483488969212
Energy: 1.3269349946630298
Energy: 1.3201879492517483
Energy: 1.4226451173427301
Energy: 1.225800198456565
Energy: 1.4226451179942916
Energy: 1.2598981059628405
Energy: 1.3007526365804725
Energy: 1.2249186109886059
Energy: 1.3007526365996132
Energy: 1.268143196631223
Energy: 1.4452896191862012
Energy: 1.352159377168469
Energy: 1.4452896191862012
Energy: 1.3256247253217186
Energy: 1.4042384735048308
Energy: 1.226075252725561
Energy: 1.4042384735048308
Energy: 1.4712184349136177
Energy: 1.488126689288039
Energy: 1.228176504300819
Energy: 1.4881266892869758
Energy: 1.2497786573211982
Energy: 1.2600713638422376
Energy: 1.2463259668842888
Energy: 1.2600713638411742

minimum gb energy = 1.206694643415062 eV
minimum distance =  2.23956284530077 Angstroms
sigma value = 9


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

Energy: 1.3024185481493253
Energy: 1.302779842973621
Energy: 1.5830942822194678
Energy: 1.302779842973621
Energy: 1.3181259299757153
Energy: 1.4095125454613056
Energy: 1.310451435700152
Energy: 1.4095125454613056
Energy: 1.3408398797088374
Energy: 1.3140087432196255
Energy: 1.2799926041133263
Energy: 1.3140087432196255
Energy: 1.5272087164447234
Energy: 1.3234439283686557
Energy: 1.276359128624871
Energy: 1.3234439283686557
Energy: 1.439912884209931
Energy: 1.406082079562813
Energy: 1.3020430331197195
Energy: 1.406082079562813
Energy: 1.2289901765557583
Energy: 1.3136727414124876
Energy: 1.5971126675307779
Energy: 1.3136727414124876
Energy: 1.3107796026105532
Energy: 1.2761871268240275
Energy: 1.2771319605684024
Energy: 1.2761871268240275
Energy: 1.381275084067954
Energy: 1.3133887956287982
Energy: 1.2646150118190684
Energy: 1.3133887956287982
Energy: 1.312987236266983
Energy: 1.4082984338519178
Energy: 1.3068939256196714
Energy: 1.4082984338519178
Energy: 1.3187931481414645
Energy: 1.302320923954865
Energy: 1.27847648680664
Energy: 1.302320923954865
Energy: 1.2713012951319043
Energy: 1.3925411741548828
Energy: 1.2799603598561273
Energy: 1.3925411741548828
Energy: 1.3188489903769631
Energy: 1.3031639132295114
Energy: 1.2762967079328051
Energy: 1.3031639132408992
Energy: 1.2282486420958036
Energy: 1.3135354300662905
Energy: 1.2524518341275563
Energy: 1.3135354300662905
Energy: 1.3492837128992405
Energy: 1.3120451841910095
Energy: 1.3251374442643982
Energy: 1.312045184189741
Energy: 1.2282638994421988
Energy: 1.3140221435565969
Energy: 1.31701881626948
Energy: 1.3140221435565969
Energy: 1.3184725042713878
Energy: 1.3027167434276261
Energy: 1.2764404988959417
Energy: 1.3027167434288949
Energy: 1.2711567396418462
Energy: 1.3925686103701258
Energy: 1.263146090506605
Energy: 1.392568610368857
Energy: 1.3157026845505064
Energy: 1.3022847935454482
Energy: 1.278575766581944
Energy: 1.3022847935454482
Energy: 1.312698581350676
Energy: 1.4082590150916248
Energy: 1.2849476229383636
Energy: 1.4082590150916248
Energy: 1.3812555348756506
Energy: 1.3135804790881358
Energy: 1.2648956037079608
Energy: 1.3135804790881358
Energy: 1.310610870806655
Energy: 1.2762107867997725
Energy: 1.2771651464094196
Energy: 1.2762107867997725

minimum gb energy = 1.2282486420958036 eV
minimum distance =  2.33941504943525 Angstroms
sigma value = 25


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

Energy: 1.2920344748725503
Energy: 1.3941022303696475
Energy: 1.6845651624323872
Energy: 1.3941022303680788
Energy: 1.2616886498348572
Energy: 1.4847281922929425
Energy: 1.239595948990107
Energy: 1.4847281922929425
Energy: 1.2411298728733227
Energy: 1.5019809400655937
Energy: 1.2395393946922824
Energy: 1.5019809400655937
Energy: 1.292903674725285
Energy: 1.4764614716960967
Energy: 1.4454481276222866
Energy: 1.4764614716976654
Energy: 1.4447832218593226
Energy: 1.2617911417909868
Energy: 1.3422373693320704
Energy: 1.2617911417909868
Energy: 1.2392638177972186
Energy: 1.4995312509971173
Energy: 1.699441805884233
Energy: 1.4995312509971173
Energy: 1.2419074670319128
Energy: 1.4201289571604223
Energy: 1.2396026421224697
Energy: 1.4201289571604223
Energy: 1.4254798362763699
Energy: 1.3894613013125536
Energy: 1.2904367559547838
Energy: 1.3894613013219663
Energy: 1.2394695279570958
Energy: 1.3272728021445255
Energy: 1.2647718673643369
Energy: 1.3272728021445255
Energy: 1.4954706561384483
Energy: 1.4532326003462974
Energy: 1.2412133045180926
Energy: 1.4532326003823794
Energy: 1.290925689258835
Energy: 1.4746151443159594
Energy: 1.6280351551389658
Energy: 1.4746151443159594
Energy: 1.238874202658477
Energy: 1.3090517729166826
Energy: 1.4933920469713844
Energy: 1.3090517729166826
Energy: 1.4309547910326454
Energy: 1.4261914309782004
Energy: 1.2390795290936965
Energy: 1.4261914309782004
Energy: 1.2389190305153621
Energy: 1.4737865705738453
Energy: 1.2912327525944762
Energy: 1.4737865705738453
Energy: 1.3797838453375324
Energy: 1.3902689923209812
Energy: 1.425383390520612
Energy: 1.3902689923209812
Energy: 1.2620305267459049
Energy: 1.3758980391367477
Energy: 1.239381182887496
Energy: 1.3758980391383167
Energy: 1.2393218694519237
Energy: 1.380629454205338
Energy: 1.4924950450647885
Energy: 1.3806294542069069

minimum gb energy = 1.238874202658477 eV
minimum distance =  2.31921227140246 Angstroms
sigma value = 17


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

Energy: 1.3530601822582637
Energy: 1.3517929143000913
Energy: 1.7410732510430291
Energy: 1.3517929142974259
Energy: 1.4560885298874333
Energy: 1.4031239096142671
Energy: 1.2610100032437044
Energy: 1.4031239096142671
Energy: 1.470241072268886
Energy: 1.3387171262570032
Energy: 1.2603527448937584
Energy: 1.3387171262561146
Energy: 1.2628305207706987
Energy: 1.3561559699576324
Energy: 1.389635069383532
Energy: 1.3561559699523014
Energy: 1.5100121003799307
Energy: 1.3620815465799254
Energy: 1.319315443453901
Energy: 1.3620815465825908
Energy: 1.282522544293017
Energy: 1.3683500901447263
Energy: 1.750415938162849
Energy: 1.3683500901447263
Energy: 1.261873181592287
Energy: 1.4008710394552173
Energy: 1.2623907723510728
Energy: 1.4008710394552173
Energy: 1.4681333102026433
Energy: 1.3703475814856532
Energy: 1.2803364604669183
Energy: 1.3703475814838761
Energy: 1.2827039811165368
Energy: 1.474740000268402
Energy: 1.5031660110449294
Energy: 1.4747400002692908
Energy: 1.6224771743107098
Energy: 1.3525765647779138
Energy: 1.261729637633271
Energy: 1.3525765647779138
Energy: 1.2668785664689692
Energy: 1.3977176824703175
Energy: 1.7466428865935761
Energy: 1.3977176824720945
Energy: 1.2816100980274523
Energy: 1.4010354156876241
Energy: 1.2817661812096866
Energy: 1.4010354156876241
Energy: 1.7290463600789718
Energy: 1.3585810247886736
Energy: 1.3583171662202935
Energy: 1.3585810247886736
Energy: 1.260246477088501
Energy: 1.4996857478291745
Energy: 1.4577460209596012
Energy: 1.499685747830063
Energy: 1.4069937519655367
Energy: 1.4037587635216384
Energy: 1.2828703088676026
Energy: 1.4037587635216384
Energy: 1.4704278649383975
Energy: 1.369261037839949
Energy: 1.4692603902826513
Energy: 1.369261037838172
Energy: 1.262314009711722
Energy: 1.4287456025029994
Energy: 1.5834930425287272
Energy: 1.4287456025029994
Energy: 1.7011727985967144
Energy: 1.3432132122403564
Energy: 1.2827698304323167
Energy: 1.3432132122376912
Energy: 1.3338461746733319
Energy: 1.4298114661843797
Energy: 1.3534309792352581
Energy: 1.4298114661843797
Energy: 1.3290099808084428
Energy: 1.3515466660226125
Energy: 1.2632904569592098
Energy: 1.351546666021724
Energy: 1.363365526113114
Energy: 1.3809606855736354
Energy: 1.4705806026498451
Energy: 1.380960685574524
Energy: 1.2613265764699264
Energy: 1.4634152143514136
Energy: 1.621842406864439
Energy: 1.4634152123309951
Energy: 1.4870424671110598
Energy: 1.3967896467587817
Energy: 1.2600251024527218
Energy: 1.3967896467605587
Energy: 1.3475109685650914
Energy: 1.433889877433189
Energy: 1.4465896194696604
Energy: 1.433889877433189
Energy: 1.3465394168849811
Energy: 1.3395908994805958
Energy: 1.4459817434655793
Energy: 1.3395908994264387
Energy: 1.492468858103007
Energy: 1.3957883688985988
Energy: 1.2618951028078893
Energy: 1.3957883688977106
Energy: 1.3009663909313478
Energy: 1.5904064747241655
Energy: 1.6565307088377657
Energy: 1.5904064747241655
Energy: 1.4680803927187251
Energy: 1.368733335675562
Energy: 1.4723337383593718
Energy: 1.368733335675562
Energy: 1.5536712341720105
Energy: 1.4913057211775234
Energy: 1.2634946960541709
Energy: 1.4913057211757463
Energy: 1.280270906651381
Energy: 1.42790785849533
Energy: 1.5559296105031792
Energy: 1.42790785849533

minimum gb energy = 1.2600251024527218 eV
minimum distance =  2.22766054995587 Angstroms
sigma value = 53


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

Energy: 1.1679716012017225
Energy: 1.1675323263475232
Energy: 1.8875556124225767
Energy: 1.1675323263475232
Energy: 1.4857583458991086
Energy: 1.3096113485044785
Energy: 1.2433103241921541
Energy: 1.3096113485044785
Energy: 1.1687607034550864
Energy: 1.167245341672791
Energy: 1.3325775025230284
Energy: 1.167245341672791
Energy: 1.1690790313864141
Energy: 1.1674139617381987
Energy: 1.336471280798664
Energy: 1.1674139617381987
Energy: 1.4858644096373768
Energy: 1.3095489694452775
Energy: 1.2433182295969132
Energy: 1.3095489694432323
Energy: 1.167971601203768
Energy: 1.1675323263475232
Energy: 1.6915656379222823
Energy: 1.1675323263475232
Energy: 1.4857583458991086
Energy: 1.3096113485044785
Energy: 1.3382978155402787
Energy: 1.3096113485044785
Energy: 1.168760703453041
Energy: 1.167245341672791
Energy: 1.4509974215336356
Energy: 1.167245341672791
Energy: 1.1690790313864141
Energy: 1.1674139617381987
Energy: 1.4450934252813812
Energy: 1.1674139617381987
Energy: 1.4858644096373768
Energy: 1.3095489694452775
Energy: 1.3927474223799847
Energy: 1.3095489694432323
Energy: 1.1679716012017225
Energy: 1.1675323263475232
Energy: 1.7404470549448796
Energy: 1.1675323263475232
Energy: 1.4857583458991086
Energy: 1.3096113485044785
Energy: 1.446638263220222
Energy: 1.3096113485044785
Energy: 1.168760703453041
Energy: 1.167245341672791
Energy: 1.4509974215336356
Energy: 1.167245341672791

minimum gb energy = 1.167245341672791 eV
minimum distance =  2.30322622196263 Angstroms
sigma value = 9


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

Energy: 1.3100407416478685
Energy: 1.4843364469332943
Energy: 1.8381070101588333
Energy: 1.4843364470513263
Energy: 1.614349051848414
Energy: 1.4015229214326388
Energy: 1.33197334789192
Energy: 1.4015229214326388
Energy: 1.3344945912923813
Energy: 1.2905089684580933
Energy: 1.3130059161115237
Energy: 1.2905089684550648
Energy: 1.5229839717972269
Energy: 1.5569631629238967
Energy: 1.3338786227792652
Energy: 1.5569631629261675
Energy: 1.5215487472465559
Energy: 1.3786673695021958
Energy: 1.3444531751005648
Energy: 1.3786673695029525
Energy: 1.2913633916663168
Energy: 1.2913690468329446
Energy: 1.5462740960718877
Energy: 1.2913690468337014
Energy: 1.795772241308951
Energy: 1.4897291609826382
Energy: 1.3334968452934606
Energy: 1.4897291609826382
Energy: 1.3487216365072678
Energy: 1.5626037336142002
Energy: 1.5066707287106418
Energy: 1.5626037336126861
Energy: 1.337180563078681
Energy: 1.5691687424058423
Energy: 1.2898635818556006
Energy: 1.5691687424050855
Energy: 1.3372485769135694
Energy: 1.3983661644209204
Energy: 1.3332655041428734
Energy: 1.398366164419406
Energy: 1.346254876876743
Energy: 1.4117709269964047
Energy: 1.7712835040723116
Energy: 1.411770927054698
Energy: 1.5591762075000801
Energy: 1.520489453985179
Energy: 1.3436808369747844
Energy: 1.5204894539882072
Energy: 1.33497566881742
Energy: 1.5022480696163265
Energy: 1.6613245923939022
Energy: 1.5022480696163265
Energy: 1.5290312240980206
Energy: 1.5934769768109047
Energy: 1.3177413544846066
Energy: 1.5934769768116617
Energy: 1.3359016599335474
Energy: 1.4934613536211283
Energy: 1.5253006647012235
Energy: 1.4934613536203716
Energy: 1.3392317570431573
Energy: 1.5671082240070693
Energy: 1.539645838203571
Energy: 1.5671082240078265
Energy: 1.446447319212797
Energy: 1.4937077556199858
Energy: 1.3527864112971992
Energy: 1.4937077556199858
Energy: 1.351948808105742
Energy: 1.374047996288236
Energy: 1.529000537603441
Energy: 1.374047996288236
Energy: 1.5877377820118408
Energy: 1.3928064483302547
Energy: 1.2949256298471064
Energy: 1.3928064483219271
Energy: 1.3274435926382917
Energy: 1.415017540383716
Energy: 1.4632955720259229
Energy: 1.4150175403829588
Energy: 1.5264141314446793
Energy: 1.5541114569042307
Energy: 1.5338765706164703
Energy: 1.5541114569042307
Energy: 1.4355334048219521
Energy: 1.4789082307819081
Energy: 1.3465476570634787
Energy: 1.4789082307826653
Energy: 1.2906659617047684
Energy: 1.4732573486144058
Energy: 1.336140223182492
Energy: 1.4732573486144058
Energy: 1.7941796183725363
Energy: 1.4119938509989607
Energy: 1.3435545588919473
Energy: 1.4119938509989607
Energy: 1.3332749016278134
Energy: 1.6777598694066926
Energy: 1.7156643566432128
Energy: 1.67775986940745
Energy: 1.4321471814826736
Energy: 1.3959814418438952
Energy: 1.3350863737835146
Energy: 1.3959814418484373
Energy: 1.5062886030762477
Energy: 1.4996398239039237
Energy: 1.5280406435601102
Energy: 1.4996398239039237
Energy: 1.310144581066473
Energy: 1.55798567345689
Energy: 1.5222383462504896
Energy: 1.5579856734561328
Energy: 1.4171381435765464
Energy: 1.3946309137025126
Energy: 1.334599963079509
Energy: 1.3946309137040265
Energy: 1.3326416546935755
Energy: 1.6774088299096583
Energy: 1.7104588563130754
Energy: 1.6774088299096583
Energy: 1.691212422853831
Energy: 1.411182127922363
Energy: 1.3428069934692066
Energy: 1.411182127922363
Energy: 1.29143884808088
Energy: 1.3770574326327936
Energy: 1.333845552603444
Energy: 1.3770574326335507
Energy: 1.2925840008183993
Energy: 1.4758548623750165
Energy: 1.333795834174585
Energy: 1.4758548623750165
Energy: 1.5302691988710182
Energy: 1.5557472980638731
Energy: 1.529085414273024
Energy: 1.55574729806463
Energy: 1.3512471529798689
Energy: 1.5540623553142636
Energy: 1.804072075668318
Energy: 1.5540623553135067

minimum gb energy = 1.2898635818556006 eV
minimum distance =  2.23821725165018 Angstroms
sigma value = 73


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

Energy: 1.3908849459697388
Energy: 1.3908199394821228
Energy: 1.8604133813728922
Energy: 1.3908199394809218
Energy: 1.416973429512157
Energy: 1.5395503028009438
Energy: 1.2970356706618094
Energy: 1.5395503028009438
Energy: 1.3699122727842292
Energy: 1.3888972092956275
Energy: 1.3227397155542422
Energy: 1.3888972092956275
Energy: 1.3685229103551828
Energy: 1.517225753749228
Energy: 1.3910660788294746
Energy: 1.517225753749228
Energy: 1.444297697370308
Energy: 1.4506028453500217
Energy: 1.391066175809192
Energy: 1.4506028453500217
Energy: 1.374472215790111
Energy: 1.3398766251114829
Energy: 1.707062183582861
Energy: 1.3398766251114829
Energy: 1.7341479012561882
Energy: 1.5259975367673864
Energy: 1.3674976767007314
Energy: 1.5259975367673864
Energy: 1.3514451246165688
Energy: 1.4619611543907625
Energy: 1.6000717453913411
Energy: 1.4619611543907625
Energy: 1.7085555452257324
Energy: 1.2966882681307785
Energy: 1.2957052010295744
Energy: 1.2966882681295773
Energy: 1.296783102128691
Energy: 1.471064224646311
Energy: 1.2964900012604073
Energy: 1.471064224646311
Energy: 1.3418174927694622
Energy: 1.3886126436558648
Energy: 1.6375415222524816
Energy: 1.3886126436558648
Energy: 1.4788628566860804
Energy: 1.5156902597721984
Energy: 1.3664857734936597
Energy: 1.5156902597709974
Energy: 1.3623863734916895
Energy: 1.4103195253303105
Energy: 1.5845149435903785
Energy: 1.4103195253303105
Energy: 1.7193008506023384
Energy: 1.496152521301321
Energy: 1.384357253933338
Energy: 1.496152521301321
Energy: 1.2851786548185578
Energy: 1.5336384335295425
Energy: 1.5678012659294243
Energy: 1.5336384335295425
Energy: 1.6301124610192792
Energy: 1.462718532762822
Energy: 1.3530760005724378
Energy: 1.462718532764023
Energy: 1.3890271804639078
Energy: 1.3907423146269726
Energy: 1.370214361992083
Energy: 1.3907423146281737
Energy: 1.3897873711426705
Energy: 1.3889491600038604
Energy: 1.3829158583390075
Energy: 1.3889491600038604
Energy: 1.4805697424443234
Energy: 1.3896148796895325
Energy: 1.35309173083871
Energy: 1.3896148796895325
Energy: 1.2957177689505146
Energy: 1.4593481334920446
Energy: 1.6578851113348934
Energy: 1.4593481331474845
Energy: 1.732034916416488
Energy: 1.38303028419621
Energy: 1.3804406074241915
Energy: 1.38303028419621
Energy: 1.3574285247183557
Energy: 1.4533117385783108
Energy: 1.5159454261726983
Energy: 1.4533117385783108

minimum gb energy = 1.2851786548185578 eV
minimum distance =  2.24797652387139 Angstroms
sigma value = 7


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

Energy: 1.3322652889342805
Energy: 1.333375555551685
Energy: 1.8597701306049443
Energy: 1.333375555551685
Energy: 1.679027727820269
Energy: 1.4015970305865515
Energy: 1.3524039408502975
Energy: 1.4015970305874006
Energy: 1.352240432709848
Energy: 1.5406604126173657
Energy: 1.3388647871775385
Energy: 1.5406604126165167
Energy: 1.3884262782638213
Energy: 1.43725292363625
Energy: 1.35173294505215
Energy: 1.43725292363625
Energy: 1.3501305148347185
Energy: 1.4271414271431764
Energy: 1.323058695319222
Energy: 1.4271414271431764
Energy: 1.3505544255406425
Energy: 1.455635071923202
Energy: 1.6485269346378724
Energy: 1.455635071923202
Energy: 1.4766453520345906
Energy: 1.528780010615187
Energy: 1.3911493616788717
Energy: 1.5287800106143377
Energy: 1.3505774655820848
Energy: 1.458898755405244
Energy: 1.8042620319800389
Energy: 1.4588987554035453
Energy: 1.494419890580986
Energy: 1.4191468612483904
Energy: 1.3656854109456187
Energy: 1.4191468612483904
Energy: 1.346769292160641
Energy: 1.4386748343517843
Energy: 1.4621316689367028
Energy: 1.4386748343526337
Energy: 1.3298785945503224
Energy: 1.537800152253882
Energy: 1.321771344170328
Energy: 1.537800152253882
Energy: 1.33416494703786
Energy: 1.4267794555875852
Energy: 1.3216855110624535
Energy: 1.4267794555875852
Energy: 1.3353223180724514
Energy: 1.3339365001010717
Energy: 1.3226436531618877
Energy: 1.3339365001002224
Energy: 1.336608693490351
Energy: 1.446649975055432
Energy: 1.3825423374458865
Energy: 1.4466499750562813
Energy: 1.3433708482190219
Energy: 1.5798198276922772
Energy: 1.5191068439696562
Energy: 1.579819827683823
Energy: 1.8289587535452883
Energy: 1.3229811888761334
Energy: 1.3666423465931874
Energy: 1.3229811888761334
Energy: 1.3422261591771338
Energy: 1.427523222394715
Energy: 1.53291786412125
Energy: 1.4275232223955643
Energy: 1.3417522913566167
Energy: 1.4042607023149838
Energy: 1.3815661502919316
Energy: 1.4042607023141347
Energy: 1.3416563546026543
Energy: 1.4564130537631763
Energy: 1.389869595726256
Energy: 1.4564130537640256
Energy: 1.3423744324320108
Energy: 1.4316308351790676
Energy: 1.3238315855728127
Energy: 1.4316308351799167
Energy: 1.409569539700558
Energy: 1.5398487007622903
Energy: 1.3658217646487274
Energy: 1.5398487007622903
Energy: 1.3504746531071747
Energy: 1.5432257210891465
Energy: 1.4585089470362598
Energy: 1.543225721087448
Energy: 1.7119762679559785
Energy: 1.5688756938961548
Energy: 1.3965347150907914
Energy: 1.5688756938282087
Energy: 1.3380161093021894
Energy: 1.3338066365322854
Energy: 1.6837578404029732
Energy: 1.333806636531436
Energy: 1.3598003463911796
Energy: 1.432085621536616
Energy: 1.32449748725725
Energy: 1.4320856215340678
Energy: 1.3289514671655756
Energy: 1.5364286179343307
Energy: 1.3223058192234705
Energy: 1.536428617933481
Energy: 1.3508517346195026
Energy: 1.4375215633803538
Energy: 1.3332471833569723
Energy: 1.4375215633803538
Energy: 1.3293664428135925
Energy: 1.4272107195151558
Energy: 1.3526302241350319
Energy: 1.4272107195151558
Energy: 1.3518416469038252
Energy: 1.45726294076994
Energy: 1.4207815062950842
Energy: 1.4572629407690907
Energy: 1.3359045776202834
Energy: 1.5456393653654796
Energy: 1.3531770011077733
Energy: 1.5456393653646305
Energy: 1.351757953586553
Energy: 1.4579628207516495
Energy: 1.6453138777305694
Energy: 1.457962820749951

minimum gb energy = 1.3216855110624535 eV
minimum distance =  2.22943806022841 Angstroms
sigma value = 29


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

Energy: 1.270893082737424
Energy: 1.2437708541179116
Energy: 1.9484254309238387
Energy: 1.2437708541173196
Energy: 1.308415601840379
Energy: 1.2734035013466378
Energy: 1.2686478212349475
Energy: 1.273403501346046
Energy: 1.2944000282446018
Energy: 1.3420207225527585
Energy: 1.4356172991863951
Energy: 1.3420207225521665
Energy: 1.2687054590252678
Energy: 1.2122479257626653
Energy: 1.2685630417045988
Energy: 1.212247925762961
Energy: 1.270759061786119
Energy: 1.3061422293353178
Energy: 1.2435337270791837
Energy: 1.3061422293353178
Energy: 1.2942041730548857
Energy: 1.3445968124664835
Energy: 1.294400948136147
Energy: 1.3445968124661878
Energy: 1.2434965330245502
Energy: 1.3063165125826566
Energy: 1.2707610615852551
Energy: 1.3063165125829523
Energy: 1.2689082817229618
Energy: 1.211773693729382
Energy: 1.2685475095293377
Energy: 1.21177369372764
Energy: 1.2091001159496346
Energy: 1.3421672778390838
Energy: 1.3864141983211526
Energy: 1.3421672778393796

minimum gb energy = 1.2091001159496346 eV
minimum distance =  2.28640045074839 Angstroms
sigma value = 5


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

Energy: 1.2735542300497718
Energy: 1.2899490970616863
Energy: 1.8732033524359981
Energy: 1.289949097060884
Energy: 1.4471545945869881
Energy: 1.612999652169207
Energy: 1.2769089411521577
Energy: 1.6129996521619867
Energy: 1.244108780228319
Energy: 1.3865302687110748
Energy: 1.5110061750355042
Energy: 1.38653026870947
Energy: 1.2755544493081479
Energy: 1.357802936473236
Energy: 1.2506549072047166
Energy: 1.3578029364740385
Energy: 1.2675213782107961
Energy: 1.364281649817844
Energy: 1.4505022067751325
Energy: 1.364281649817844
Energy: 1.3640307332394703
Energy: 1.395039779039166
Energy: 1.2416643576770492
Energy: 1.3950397790383637
Energy: 1.2376964143536677
Energy: 1.3616504833561502
Energy: 1.2341003759737093
Energy: 1.3616504833553478
Energy: 1.2378556012393211
Energy: 1.3956335911093158
Energy: 1.2478074791754825
Energy: 1.3956335911093158
Energy: 1.2464156346265616
Energy: 1.3619509019775102
Energy: 1.2520849783450338
Energy: 1.361950901976708
Energy: 1.2462723809057505
Energy: 1.3632085232341322
Energy: 1.2410407620907442
Energy: 1.3632085232341322
Energy: 1.288058791512015
Energy: 1.2932608627706175
Energy: 1.2460883167597938
Energy: 1.2932608627690128
Energy: 1.2804399877749162
Energy: 1.2694896998140175
Energy: 1.2896838799730475
Energy: 1.269489699815622
Energy: 1.394981139999877
Energy: 1.2919955362674036
Energy: 1.2944581180604076
Energy: 1.2919955362674036
Energy: 1.2658352346998334
Energy: 1.3936016424775848
Energy: 1.2998126708151834
Energy: 1.3936016424775848
Energy: 1.5397576457964377
Energy: 1.5487508526929716
Energy: 1.246642588516339
Energy: 1.5487508526921694
Energy: 1.248095684667771
Energy: 1.2832386036096488
Energy: 1.3467630267169348
Energy: 1.283238603610451
Energy: 1.4361305206352002
Energy: 1.4522372799869023
Energy: 1.2580423105574727
Energy: 1.452237279988507
Energy: 1.2542523982542815
Energy: 1.3946266781963206
Energy: 1.4787175280352542
Energy: 1.3946266781971228
Energy: 1.2439337291654797
Energy: 1.3641766924575178
Energy: 1.2376550489668936
Energy: 1.3641766924583203
Energy: 1.259900281195561
Energy: 1.4744402254833426
Energy: 1.2617638634081347
Energy: 1.4744402254697038
Energy: 1.25765662067582
Energy: 1.5323644578985873
Energy: 1.2457499541041686
Energy: 1.5323644578969826
Energy: 1.2889633389473851
Energy: 1.3623339645325374
Energy: 1.2465034628366187
Energy: 1.3623339645317352
Energy: 1.250732129267683
Energy: 1.2912431239103526
Energy: 1.2793667808510507
Energy: 1.2912431239119573
Energy: 1.2907712071100428
Energy: 1.2969243366674172
Energy: 1.2735120731642589
Energy: 1.296924336669824
Energy: 1.2894753885840264
Energy: 1.279840517221832
Energy: 1.247794851458655
Energy: 1.279840517221832
Energy: 1.271131836046636
Energy: 1.2901274965671214
Energy: 1.2698344573131064
Energy: 1.2901274965679237
Energy: 1.2493265762330006
Energy: 1.236785670883677
Energy: 1.3286651918721655
Energy: 1.236785670883677
Energy: 1.3742026365726785
Energy: 1.331847330573949
Energy: 1.248200957027415
Energy: 1.3318473305771583
Energy: 1.255239032519791
Energy: 1.6121524378270906
Energy: 1.4633087713828292
Energy: 1.6121524378254861
Energy: 1.471253307157348
Energy: 1.3947724669411459
Energy: 1.2541960339692406
Energy: 1.3947724669411459
Energy: 1.2404031108670928
Energy: 1.2633238704934595
Energy: 1.467717219858232
Energy: 1.2633238704934595
Energy: 1.4344172801248536
Energy: 1.4872704647028123
Energy: 1.255859252763908
Energy: 1.4872704647028123
Energy: 1.2512477611210107
Energy: 1.5372051753546614
Energy: 1.2537927377353826
Energy: 1.5372051753506502

minimum gb energy = 1.2341003759737093 eV
minimum distance =  2.22636778923754 Angstroms
sigma value = 1


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

Energy: 1.2434151209914377
Energy: 1.244369306137289
Energy: 1.8943761022792607
Energy: 1.244369306138398
Energy: 1.237951394720534
Energy: 1.6744905871168378
Energy: 1.2177169489596322
Energy: 1.6744905871168378
Energy: 1.1918474519578606
Energy: 1.3923961823400957
Energy: 1.3831927668914452
Energy: 1.3923961823400957
Energy: 1.2899339898852284
Energy: 1.335260412151053
Energy: 1.2010643511432966
Energy: 1.335260412151053
Energy: 1.2144825323295705
Energy: 1.2386254482569279
Energy: 1.45472633430484
Energy: 1.2386254482569279
Energy: 1.1920586435592202
Energy: 1.5746401434271327
Energy: 1.2006839340341997
Energy: 1.5746401434271327
Energy: 1.192485255720721
Energy: 1.3750525705783085
Energy: 1.2385107649411884
Energy: 1.3750525705771994
Energy: 1.1870838086265534
Energy: 1.3929744827766382
Energy: 1.2644259183385362
Energy: 1.3929744827755288
Energy: 1.2433168434529855
Energy: 1.2418611587899928
Energy: 1.267109210711273
Energy: 1.2418611587899928
Energy: 1.2427175969184547
Energy: 1.2420741658811092
Energy: 1.2656401671732
Energy: 1.2420741658811092
Energy: 1.1922952851553221
Energy: 1.3928319115515673
Energy: 1.2481672125140455
Energy: 1.3928319115515673
Energy: 1.1869012003064334
Energy: 1.3753383443451366
Energy: 1.2380185624131703
Energy: 1.3753383443451366
Energy: 1.1919776816691858
Energy: 1.5754814788930467
Energy: 1.2010376204016082
Energy: 1.5754814788941562
Energy: 1.2143891589788187
Energy: 1.2389279336154997
Energy: 1.4551544457857617
Energy: 1.2389279336154997
Energy: 1.289471999367156
Energy: 1.3360845145038172
Energy: 1.2007777481063886
Energy: 1.3360845145038172
Energy: 1.1919208252094686
Energy: 1.3920481474773303
Energy: 1.3578118498799079
Energy: 1.3920481474773303
Energy: 1.238174167635427
Energy: 1.6738236742481012
Energy: 1.2176607929519685
Energy: 1.6738236742492107
Energy: 1.2434151209914377
Energy: 1.244369306137289
Energy: 1.708237649070487
Energy: 1.244369306137289
Energy: 1.2379513947194247
Energy: 1.6744905871157283
Energy: 1.2177169489596322
Energy: 1.6744905871168378
Energy: 1.1918474519578606
Energy: 1.3923961823389865
Energy: 1.6669850872032175
Energy: 1.3923961823400957
Energy: 1.2899339898874473
Energy: 1.3352604121499438
Energy: 1.2010643511432966
Energy: 1.335260412151053
Energy: 1.2144825323295705
Energy: 1.2386254482580372
Energy: 1.4429690064304135
Energy: 1.2386254482569279
Energy: 1.1920586435603295
Energy: 1.574640143428242
Energy: 1.2006839340330906
Energy: 1.5746401434260238
Energy: 1.192485255720721
Energy: 1.3750525705783085
Energy: 1.2116934480863284
Energy: 1.3750525705771994

minimum gb energy = 1.1869012003064334 eV
minimum distance =  2.25056040552461 Angstroms
sigma value = 17


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

Energy: 1.2457385814073993
Energy: 1.2450725327328376
Energy: 1.8546721553247978
Energy: 1.2450725327314665
Energy: 1.3789566778211664
Energy: 1.3763257034720722
Energy: 1.2097421812948628
Energy: 1.3763257034734435
Energy: 1.2059317408249466
Energy: 1.3276369190187114
Energy: 1.4692108357840665
Energy: 1.3276369190180257
Energy: 1.3112278243783588
Energy: 1.1960099745656476
Energy: 1.204069360826558
Energy: 1.196009974567019
Energy: 1.2069370538620905
Energy: 1.4457080418380612
Energy: 1.4926026370653747
Energy: 1.44570804183669
Energy: 1.2278380279127867
Energy: 1.356300535592547
Energy: 1.2202413176384361
Energy: 1.3563005351710677
Energy: 1.2257552203864714
Energy: 1.3126093399134304
Energy: 1.2308312126191783
Energy: 1.3126093399141159
Energy: 1.221663096894218
Energy: 1.3006033936925026
Energy: 1.201716529429119
Energy: 1.30060339368976
Energy: 1.2444817566364554
Energy: 1.2975735209793249
Energy: 1.2724781215255867
Energy: 1.297573520981382
Energy: 1.2313423879311294
Energy: 1.429715413048534
Energy: 1.217183636703385
Energy: 1.429715413050591
Energy: 1.2109658570251416
Energy: 1.273065332995782
Energy: 1.2106311989720817
Energy: 1.2730653329950963
Energy: 1.1985113976087498
Energy: 1.3053177150575177
Energy: 1.1944223604349662
Energy: 1.3053177150575177
Energy: 1.2243806234180663
Energy: 1.432312043355178
Energy: 1.2078802505042259
Energy: 1.4323120433517498
Energy: 1.2244760610267535
Energy: 1.332417908989865
Energy: 1.245123836330146
Energy: 1.332417908989865
Energy: 1.2113317625429434
Energy: 1.3368357362841725
Energy: 1.2565587022686466
Energy: 1.336835736264975
Energy: 1.2120713771694906
Energy: 1.4341671451885794
Energy: 1.4871106674052512
Energy: 1.434167145189265
Energy: 1.2574217309543025
Energy: 1.2025480573376284
Energy: 1.2077613175338788
Energy: 1.2025480573376284
Energy: 1.1988213953395215
Energy: 1.3395313577327177
Energy: 1.447979335917041
Energy: 1.3395313577340888
Energy: 1.3734930832453072
Energy: 1.3543212644327527
Energy: 1.2095300813398242
Energy: 1.3543212644293245
Energy: 1.2144301641044701
Energy: 1.2315022434254215
Energy: 1.3296995311469997
Energy: 1.2315022434261071
Energy: 1.3552234892818624
Energy: 1.3528770538095647
Energy: 1.2237712942045613
Energy: 1.3528770538095647
Energy: 1.22449638479255
Energy: 1.4471564704883548
Energy: 1.445539973252706
Energy: 1.4471564704869837
Energy: 1.3590178664443169
Energy: 1.2107723983727152
Energy: 1.2167348962106161
Energy: 1.2107723983720295
Energy: 1.2098673193114322
Energy: 1.2204342096621492
Energy: 1.3774536464585625
Energy: 1.2204342096648917
Energy: 1.289939707893861
Energy: 1.3394584660794109
Energy: 1.2011663835349962
Energy: 1.3394584660800963
Energy: 1.2109544752136494
Energy: 1.334308280422759
Energy: 1.212367203406322
Energy: 1.3343082804220734
Energy: 1.3609687116700628
Energy: 1.5817044667058011
Energy: 1.2150686284522731
Energy: 1.5817044667058011
Energy: 1.2583773553091133
Energy: 1.5994088354776972
Energy: 1.2284617527725852
Energy: 1.5994088354804399
Energy: 1.2452007401380811
Energy: 1.3320303764557138
Energy: 1.2192481584593358
Energy: 1.3320303764543426
Energy: 1.2117880363065423
Energy: 1.4343591385853638
Energy: 1.2488456036673783
Energy: 1.4343591385860495
Energy: 1.1947901643605525
Energy: 1.3315414246642456
Energy: 1.1983246439549924
Energy: 1.3315414246635597
Energy: 1.210955061816757
Energy: 1.2722724749513932
Energy: 1.20711005409379
Energy: 1.2722724749321956
Energy: 1.2149984106907714
Energy: 1.428195288210334
Energy: 1.3874996034562417
Energy: 1.4281952882096485
Energy: 1.2732767461139718
Energy: 1.4811116595126823
Energy: 1.2218126287759616
Energy: 1.4811116595126823
Energy: 1.2011458670634332
Energy: 1.4436004598258922
Energy: 1.255076112831106
Energy: 1.4436004598272634
Energy: 1.2313429872525423
Energy: 1.314465527837463
Energy: 1.223253725162814
Energy: 1.3144655278367772
Energy: 1.2163382412975132
Energy: 1.354609508188638
Energy: 1.2312207141951228
Energy: 1.3546095083846674
Energy: 1.4871932933869114
Energy: 1.2398113987200532
Energy: 1.2125322885450904
Energy: 1.239811398743365

minimum gb energy = 1.1944223604349662 eV
minimum distance =  2.24506137657584 Angstroms
sigma value = 89


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

Energy: 1.1106836430237876
Energy: 1.1109120839334692
Energy: 1.9030669220999328
Energy: 1.1109120839316753
Energy: 1.1115519975444839
Energy: 1.145884343422742
Energy: 1.1298584981737076
Energy: 1.145884343422742
Energy: 1.126810928798526
Energy: 1.3646107378307957
Energy: 1.8058862774407478
Energy: 1.3646107378307957
Energy: 1.1456049049012351
Energy: 1.1462445618181023
Energy: 1.129454635299992
Energy: 1.1462445618181023
Energy: 1.1264567530634257
Energy: 1.506844877857924
Energy: 1.2576101273912004
Energy: 1.5068448778597179
Energy: 1.12655761760559
Energy: 1.112123571871095
Energy: 1.1141457350316848
Energy: 1.112123571869301
Energy: 1.1267067336130916
Energy: 1.3300719059200186
Energy: 1.110839410691953
Energy: 1.3300719059200186
Energy: 1.1430027624385508
Energy: 1.4842923378288613
Energy: 1.129741807909589
Energy: 1.4842923378288613
Energy: 1.1262134123931649
Energy: 1.2399248310843487
Energy: 1.148574556320379
Energy: 1.2399248310843487
Energy: 1.1453840369368133
Energy: 1.1106933801459398
Energy: 1.1262973701956078
Energy: 1.1106933801477337
Energy: 1.1102810478614047
Energy: 1.1468711519524437
Energy: 1.1264246586677407
Energy: 1.1468711519524437
Energy: 1.110394969212636
Energy: 1.3319674316177337
Energy: 1.129663937769146
Energy: 1.3319674316159398
Energy: 1.1261872134303905
Energy: 1.177827005467968
Energy: 1.1462089798060524
Energy: 1.177827005467968
Energy: 1.1261984293698153
Energy: 1.2359073546346975
Energy: 1.1262103445909462
Energy: 1.2359073546364914
Energy: 1.1570658440123522
Energy: 1.1777022422153314
Energy: 1.1262144382186619
Energy: 1.1777022422135375

minimum gb energy = 1.1102810478614047 eV
minimum distance =  2.268121965395 Angstroms
sigma value = 13


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

Energy: 1.1199920022398013
Energy: 1.352694859778313
Energy: 1.791916162025541
Energy: 1.3526948597798165
Energy: 1.2567256217302665
Energy: 1.3727967956985194
Energy: 1.071852040698242
Energy: 1.3727967956985194
Energy: 1.0807353854413868
Energy: 1.3824005960644765
Energy: 1.2904173514323654
Energy: 1.3824005960667318
Energy: 1.0773346089185685
Energy: 1.3714572423389886
Energy: 1.0696427523542549
Energy: 1.3714572423382365
Energy: 1.0870301998586178
Energy: 1.4945347016331845
Energy: 1.1477538694468334
Energy: 1.4945347016331845
Energy: 1.0759845526051257
Energy: 1.2383530544643067
Energy: 1.0947242084722297
Energy: 1.2383530544650585
Energy: 1.0874317009728134
Energy: 1.3465703247807317
Energy: 1.5023257791067814
Energy: 1.3465703247859953
Energy: 1.0724501678104765
Energy: 1.401896813237202
Energy: 1.094699646088036
Energy: 1.4018968132379541
Energy: 1.0868523591906125
Energy: 1.306457199321505
Energy: 1.2896153628319205
Energy: 1.3064571993207532
Energy: 1.2644579964703078
Energy: 1.5128116840611057
Energy: 1.0698529949321742
Energy: 1.5128116840618575
Energy: 1.087028304830455
Energy: 1.1991221603395954
Energy: 1.080101525712062
Energy: 1.1991221603395954
Energy: 1.3736444709457454
Energy: 1.5841871253000155
Energy: 1.0784905695097753
Energy: 1.5841871252992636
Energy: 1.1270938075543095
Energy: 1.3845764548766448
Energy: 1.0894047563696851
Energy: 1.3845764548766448
Energy: 1.3502705790943994
Energy: 1.4717775128501707
Energy: 1.0776015938732957
Energy: 1.4717775128494188
Energy: 1.0872112947086814
Energy: 1.3843145013004403
Energy: 1.0890219980592568
Energy: 1.3843145013004403
Energy: 1.0778354443585945
Energy: 1.3299785965861988
Energy: 1.0668270389243775
Energy: 1.3299785965861988
Energy: 1.092135293293872
Energy: 1.4206373236662275
Energy: 1.0671572092083905
Energy: 1.4206373236662275
Energy: 1.1038313285727972
Energy: 1.3079199824851655
Energy: 1.0905211132821309
Energy: 1.3079199824866694
Energy: 1.0925500046515104
Energy: 1.3077886020359657
Energy: 1.090590442944776
Energy: 1.3077886020374696
Energy: 1.0924260143119806
Energy: 1.3074987626206822
Energy: 1.090596397562456
Energy: 1.307498762621434
Energy: 1.1042359706489606
Energy: 1.3076018392142772
Energy: 1.090673559514594
Energy: 1.307601839215781
Energy: 1.0927256661262315
Energy: 1.420352661914863
Energy: 1.0676245863466138
Energy: 1.420352661914111
Energy: 1.078157221871095
Energy: 1.3292977812058753
Energy: 1.0669563079014257
Energy: 1.3292977812051234
Energy: 1.0873093610434752
Energy: 1.3840632173267635
Energy: 1.0911389288090985
Energy: 1.3840632173275156
Energy: 1.3515204281935564
Energy: 1.471793368591124
Energy: 1.078676156174411
Energy: 1.4717933685918758
Energy: 1.1271496156137515
Energy: 1.3843111605011673
Energy: 1.0893314421192466
Energy: 1.3843111605086866
Energy: 1.3736794778351509
Energy: 1.5839083798608784
Energy: 1.077882946522605
Energy: 1.5839083798608784
Energy: 1.0868563784394283
Energy: 1.1983852668120614
Energy: 1.0807800517222457
Energy: 1.1983852668120614
Energy: 1.2660188836639272
Energy: 1.5106663594174712
Energy: 1.0697739773508947
Energy: 1.510666359419727
Energy: 1.0869083089282179
Energy: 1.307147353730824
Energy: 1.350249597879089
Energy: 1.3071473537300722
Energy: 1.0753128627444253
Energy: 1.401566192488549
Energy: 1.0949446384167205
Energy: 1.401566192488549
Energy: 1.0870181080059993
Energy: 1.346780727707866
Energy: 1.5017235801210798
Energy: 1.3467807277071142
Energy: 1.0764874205835722
Energy: 1.2379672780110413
Energy: 1.0947570859325533
Energy: 1.2379672773429242
Energy: 1.0867013964893635
Energy: 1.4945412845247665
Energy: 1.1481230789676917
Energy: 1.4945412845255186
Energy: 1.077473467535815
Energy: 1.3711289392991293
Energy: 1.0696439765220274
Energy: 1.3711289392998813

minimum gb energy = 1.0668270389243775 eV
minimum distance =  2.23677484753686 Angstroms
sigma value = 37


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

Energy: 1.027866649230594
Energy: 1.0272054497252379
Energy: 1.7931090525333464
Energy: 1.0272054497252379
Energy: 1.4996229700176422
Energy: 1.2432647432218467
Energy: 0.9881420606093032
Energy: 1.2432647432218467
Energy: 0.9772860705080988
Energy: 1.508475011497852
Energy: 1.702522502562093
Energy: 1.508475011497852
Energy: 0.9780366007790567
Energy: 1.2434171824788574
Energy: 0.9879994867979369
Energy: 1.2434171824788574
Energy: 0.9863371657866605
Energy: 1.2440441606274413
Energy: 1.1147663640027872
Energy: 1.2440441606274413
Energy: 0.999756375225097
Energy: 1.2432211183651185
Energy: 0.9809085837726206
Energy: 1.2432211183651185
Energy: 0.9864248830293423
Energy: 1.4939204145117815
Energy: 1.2214024677702588
Energy: 1.4939204145130753
Energy: 0.9865057480870226
Energy: 1.0278226220547568
Energy: 1.0292953503286013
Energy: 1.0278226220547568
Energy: 0.9863321267854325
Energy: 1.244288696060565
Energy: 1.3552019769730599
Energy: 1.244288696060565
Energy: 1.3494628271107068
Energy: 1.5077358350781562
Energy: 0.9810195033707868
Energy: 1.5077358350781562
Energy: 0.9866446701411355
Energy: 1.496123084752524
Energy: 0.9776767576606605
Energy: 1.496123084752524
Energy: 1.283312220251901
Energy: 1.2457457605653577
Energy: 0.9882695888287426
Energy: 1.2457457605653577
Energy: 0.9773388408199947
Energy: 1.244405984043665
Energy: 1.001911352510252
Energy: 1.2444059840423713
Energy: 1.220916672370605
Energy: 1.49667339937768
Energy: 0.9861744402388888
Energy: 1.49667339937768
Energy: 1.0266690397620073
Energy: 1.0802411300596246
Energy: 0.9862005855294593
Energy: 1.0802411300596246
Energy: 1.0273821374330978
Energy: 1.245972941534102
Energy: 0.988011427112227
Energy: 1.245972941534102
Energy: 0.9770929623960491
Energy: 1.3771333284627651
Energy: 1.0003640854353977
Energy: 1.3771333284627651
Energy: 0.9784267854581541
Energy: 1.2817886790284947
Energy: 0.9861369800045572
Energy: 1.2817886790284947
Energy: 0.9863027026662619
Energy: 1.24918969505074
Energy: 0.9861872775238952
Energy: 1.24918969505074
Energy: 0.9864736980601869
Energy: 1.027693627250444
Energy: 0.9773523267859195
Energy: 1.027693627250444

minimum gb energy = 0.9770929623960491 eV
minimum distance =  2.28226087915578 Angstroms
sigma value = 25


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

Energy: 0.9618394122121628
Energy: 1.238328089968554
Energy: 1.6841672155864964
Energy: 1.238328089968554
Energy: 1.2523263377285527
Energy: 1.2538808479577312
Energy: 0.9095939416016657
Energy: 1.253880847956721
Energy: 0.9039312899778341
Energy: 0.904429161325962
Energy: 1.2303286419657102
Energy: 0.904429161325962
Energy: 1.0728804795968503
Energy: 1.2540095825028579
Energy: 0.9092230429569224
Energy: 1.2540095825018476
Energy: 0.9109261906545625
Energy: 1.2543127476883682
Energy: 0.9694453282908779
Energy: 1.2543127476873581
Energy: 0.8820262078215708
Energy: 1.2548866212396403
Energy: 0.9092818557347401
Energy: 1.2548866212406506
Energy: 0.9113638666771061
Energy: 1.072303574461242
Energy: 0.9775741630120902
Energy: 1.072303574461242
Energy: 0.895092435695444
Energy: 1.1179168481401451
Energy: 0.9058779518611372
Energy: 1.1179168481411552
Energy: 0.9085546351499493
Energy: 1.2535929374188224
Energy: 1.3499184381080271
Energy: 1.2535929374188224
Energy: 0.8862099782357619
Energy: 1.24020459237262
Energy: 0.9635756521599582
Energy: 1.24020459237363
Energy: 0.9115165577605194
Energy: 1.0719409162820104
Energy: 1.2533821488549681
Energy: 1.071940916285041
Energy: 1.1754080795367772
Energy: 1.3250475689789394
Energy: 0.9059972662158782
Energy: 1.3250475689779293
Energy: 0.9112830540164129
Energy: 1.2534936674617883
Energy: 1.1590553063874576
Energy: 1.2534936674617883
Energy: 1.1497259761682361
Energy: 1.2908421111568533
Energy: 0.909436528263414
Energy: 1.2908421111568533
Energy: 0.9116486739274788
Energy: 1.0716629184764237
Energy: 0.8822335188622868
Energy: 1.0716629184754136
Energy: 1.1482470029310383
Energy: 1.2297972410064402
Energy: 0.9100532506519078
Energy: 1.2297972410094706
Energy: 0.9111174953895668
Energy: 1.1181269887454859
Energy: 0.8975206924702434
Energy: 1.1181269887454859
Energy: 1.0892478438854498
Energy: 1.2547937970488963
Energy: 0.9095657188235238
Energy: 1.2547937970499066
Energy: 0.9689122070169032
Energy: 1.2416801149428431
Energy: 0.8862178177557435
Energy: 1.2416801149428431
Energy: 1.2388703089293633
Energy: 1.230506447852892
Energy: 0.9097371576058786
Energy: 1.230506447852892
Energy: 0.9082099923327308
Energy: 1.3246592897332103
Energy: 0.8937903570379668
Energy: 1.3246592897342206
Energy: 0.9043607350747354
Energy: 1.2553601388278717
Energy: 0.9094409497972579
Energy: 1.2553601388268616
Energy: 0.9122747272061378
Energy: 1.2899443593042808
Energy: 1.1500293478399501
Energy: 1.2899443593042808
Energy: 0.8813109229939189
Energy: 1.394331103323682
Energy: 0.9100397505830125
Energy: 1.394331103322672
Energy: 0.9098183458376368
Energy: 1.2277333959177923
Energy: 1.1482698783008662
Energy: 1.2277333959167822
Energy: 0.8869294920170411
Energy: 1.1188217181272695
Energy: 0.9034920795496021
Energy: 1.1188217181272695

minimum gb energy = 0.8813109229939189 eV
minimum distance =  2.25980471005189 Angstroms
sigma value = 41


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

Energy: 1.10899945347364
Energy: 1.111537178878342
Energy: 1.6161767467656305
Energy: 1.111537178875029
Energy: 1.4805792553446535
Energy: 1.0993049544829658
Energy: 0.8224285543983648
Energy: 1.099304954483794
Energy: 0.8489172718048023
Energy: 1.0937036901347366
Energy: 1.4506087833607995
Energy: 1.0937036901347366
Energy: 1.104152183560655
Energy: 1.1008471211745765
Energy: 0.8227100904523926
Energy: 1.1008471211745765
Energy: 0.8169227430049004
Energy: 1.1284895250794624
Energy: 0.8773283243119905
Energy: 1.1284895250819469
Energy: 0.9597135824309903
Energy: 1.0985895269917934
Energy: 0.8225642455245046
Energy: 1.0985895269909653
Energy: 0.8214317655120857
Energy: 1.0980171787798678
Energy: 0.8809533861972766
Energy: 1.0980171787782116
Energy: 0.8056671848387096
Energy: 0.9806911902724399
Energy: 0.8179761721083704
Energy: 0.9806911902740962
Energy: 0.8255841181005097
Energy: 0.9794380073283484
Energy: 1.3157252000733999
Energy: 0.9794380073275202
Energy: 0.8149096891411683
Energy: 1.0934040975966492
Energy: 0.8501700795130568
Energy: 1.0934040975966492
Energy: 0.8216444145815879
Energy: 1.09916000102195
Energy: 1.2675554377172769
Energy: 1.0991600010244345
Energy: 0.8113510343647552
Energy: 1.1109191581760247
Energy: 1.1094731010889247
Energy: 1.1109191581760247
Energy: 0.8258758240176025
Energy: 0.9787966376564207
Energy: 1.4243403418449767
Energy: 0.9787966359519542
Energy: 1.0469458426375173
Energy: 0.9450549512340115
Energy: 0.8502022437625227
Energy: 0.9450549512340115
Energy: 0.8216004449840534
Energy: 1.0999097699554292
Energy: 1.0892113826027792
Energy: 1.099909769954601
Energy: 1.0312301235331245
Energy: 1.1555115572428634
Energy: 0.8180132365248641
Energy: 1.1555115572420354
Energy: 0.825741111824897
Energy: 0.9824452775823909
Energy: 1.1107379143101077
Energy: 0.9824452778770717
Energy: 1.028744507495582
Energy: 0.9450569719010493
Energy: 0.8229286932709742
Energy: 0.9450569719018774
Energy: 0.8214978525750092
Energy: 0.9813331530948107
Energy: 0.8060189651285624
Energy: 0.9813331530939825
Energy: 1.0306374393599678
Energy: 0.9786458025958019
Energy: 0.8256439169034393
Energy: 0.9786458025982864
Energy: 0.8535478010240518
Energy: 0.8498206302538817
Energy: 0.8154710258008978
Energy: 0.8498206302513971
Energy: 1.2684388939557603
Energy: 0.8739961238505994
Energy: 0.8227882636385424
Energy: 0.8739961238514277
Energy: 1.1129521808375564
Energy: 1.1110324163961753
Energy: 0.8108902007137919
Energy: 1.1110324163928629
Energy: 1.1092511845231878
Energy: 0.982252794377182
Energy: 0.8254742689367001
Energy: 0.9822527943788384
Energy: 0.8535724032884638
Energy: 0.9452376623227108
Energy: 0.820165661800725
Energy: 0.945237662323539
Energy: 1.089912885853342
Energy: 0.8728591335444418
Energy: 0.8225944605312261
Energy: 0.8728591335452699
Energy: 0.8217011723595382
Energy: 1.1557534554527285
Energy: 1.0315733477819506
Energy: 1.1557534554527285
Energy: 0.8173016315880909
Energy: 0.9864235378776869
Energy: 0.8259825089550251
Energy: 0.9864235378776869
Energy: 0.8255867515064438
Energy: 0.9452466148734461
Energy: 1.0281440131282986
Energy: 0.9452466148709615
Energy: 0.805506647184452
Energy: 1.02724957114509
Energy: 0.8260803830820455
Energy: 1.0272495711343237
Energy: 0.8297415526308173
Energy: 0.9785608635972672
Energy: 1.0307200221425417
Energy: 0.9785608635956109
Energy: 0.8094666867977908
Energy: 0.8500128859916717
Energy: 0.8589318929491176
Energy: 0.8500128859924245

minimum gb energy = 0.805506647184452 eV
minimum distance =  2.27773998665854 Angstroms
sigma value = 15


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

Energy: 1.0175639849782707
Energy: 0.7781236938264952
Energy: 1.567545382192422
Energy: 0.7781236938264952
Energy: 1.415468126750106
Energy: 0.88404240559697
Energy: 0.7745555563785526
Energy: 0.8840424250537309
Energy: 0.8023808161347542
Energy: 0.9937565018051637
Energy: 1.3676778569554373
Energy: 0.9937565018051637
Energy: 1.138368886586428
Energy: 0.8860225867007122
Energy: 0.7742990439166144
Energy: 0.8860225879237635
Energy: 0.7708641794427631
Energy: 0.8614584195722815
Energy: 0.8120933996498849
Energy: 0.8614584195722815
Energy: 0.993103047298319
Energy: 0.88946012341864
Energy: 0.7746716629010783
Energy: 0.8894601233905766
Energy: 0.773644767392672
Energy: 1.005316167696059
Energy: 0.8070610156831018
Energy: 1.005316167696059
Energy: 0.8753119017427381
Energy: 1.0055420687422334
Energy: 0.7744011520330106
Energy: 1.0055420687387255
Energy: 0.7765872849184234
Energy: 0.7905442341560454
Energy: 0.9846643836121172
Energy: 0.7905442341518358
Energy: 0.7458182480362426
Energy: 0.7723278154311827
Energy: 0.771535018027663
Energy: 0.7723278154255699
Energy: 0.7738729404122374
Energy: 0.8861430709896931
Energy: 1.1722620520534783
Energy: 0.8861430711418731
Energy: 0.7500439083979931
Energy: 0.9953108662108535
Energy: 0.8029051627942655
Energy: 0.9953108662115551
Energy: 0.7765860918422184
Energy: 0.7896367198118416
Energy: 1.3536893105866388
Energy: 0.7896367198055274
Energy: 0.7487841100028397
Energy: 0.7733863657080208
Energy: 1.0171019298399424
Energy: 0.7733863657108271
Energy: 0.7739105192946797
Energy: 0.8858317932109264
Energy: 1.2949091532150607
Energy: 0.8858317939998251
Energy: 0.9541332085112141
Energy: 0.9952256492602737
Energy: 0.8033255014700507
Energy: 0.9952256492602737
Energy: 0.7763365757777763
Energy: 0.788289757264023
Energy: 1.218765892042118
Energy: 0.7882897572626197
Energy: 0.9397175357990347
Energy: 0.8589128465346691
Energy: 0.7716338599871421
Energy: 0.8589128465367102
Energy: 0.7737052643706037
Energy: 0.8825575648615402
Energy: 0.9957105382559145
Energy: 0.8825575648594355
Energy: 0.9386485655685401
Energy: 1.0358028825511458
Energy: 0.7747796959022702
Energy: 1.0358028825511458
Energy: 0.7765852788442319
Energy: 0.9099905493236494
Energy: 0.9373827155907066
Energy: 0.9099905493236494
Energy: 0.9371008432216327
Energy: 0.7867196036412497
Energy: 0.780076329543096
Energy: 0.7867196036433546
Energy: 0.7737407395512744
Energy: 0.7720650048884458
Energy: 0.7453959012188266
Energy: 0.772065004886341
Energy: 1.176215371539565
Energy: 0.8837818547834606
Energy: 0.7747131113774024
Energy: 0.883781854764518
Energy: 0.805002354597909
Energy: 0.803763113896948
Energy: 0.7519778799274303
Energy: 0.8037631138962464
Energy: 1.1731093489586262
Energy: 0.786914051854503
Energy: 0.7800406767554714
Energy: 0.786914051854503
Energy: 1.0191080135127932
Energy: 0.7721198520661676
Energy: 0.749190280621563
Energy: 0.772119852065466
Energy: 1.289684725260928
Energy: 0.8822872292519074
Energy: 0.7745591439117485
Energy: 0.8822872293676051
Energy: 0.8050030005592544
Energy: 0.8843942181639551
Energy: 0.7528682543689457
Energy: 0.8843942181653583
Energy: 0.9998611615104132
Energy: 0.7873549668932992
Energy: 0.7798536698681683
Energy: 0.7873549668925974
Energy: 0.7738588009593734
Energy: 0.8554296051317265
Energy: 0.9395120633165224
Energy: 0.8554296051289201
Energy: 0.9844295474978079
Energy: 0.8824471462899334
Energy: 0.7744854333486125
Energy: 0.8824471462941428
Energy: 0.7768549119973784
Energy: 0.8852939501992217
Energy: 0.9381022655408265
Energy: 0.885293950200625
Energy: 0.7523751467282709
Energy: 0.9109120862194897
Energy: 0.7799139618923772
Energy: 0.9109120862215945
Energy: 0.7572337928079124
Energy: 0.8587072265458793
Energy: 0.936027839566788
Energy: 0.8587072265423714
Energy: 0.7450818972197826
Energy: 0.7718111910727666
Energy: 0.7775665140210323
Energy: 0.7718111910713633
Energy: 0.7767877311829601
Energy: 0.8054176594168134
Energy: 1.1780557345991258
Energy: 0.8054176594196196

minimum gb energy = 0.7450818972197826 eV
minimum distance =  2.27268758312599 Angstroms
sigma value = 85


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

Energy: 0.9677488889466436
Energy: 0.7552475142737939
Energy: 1.516755697386137
Energy: 0.7552475142737939
Energy: 1.3894039916675016
Energy: 0.8346690854001334
Energy: 0.7103782995576087
Energy: 0.8346690854336001
Energy: 0.9220697379970529
Energy: 0.9222430474073329
Energy: 0.8569476709537598
Energy: 0.9222430474085497
Energy: 1.1446993739795697
Energy: 0.8346269489459757
Energy: 0.7100233629500708
Energy: 0.8346269489484097
Energy: 0.7482369657566095
Energy: 0.8917477279944066
Energy: 0.7826596739082343
Energy: 0.891747727993798
Energy: 1.0146898042154928
Energy: 0.9569107339945742
Energy: 0.7101562526038141
Energy: 0.9569107339951824
Energy: 0.7066774267108733
Energy: 0.9435834822785383
Energy: 0.7775536558674695
Energy: 0.9435834822791468
Energy: 0.8866992220643745
Energy: 0.8348253910393566
Energy: 0.7099550013519828
Energy: 0.8348253469304153
Energy: 0.7092847456713819
Energy: 0.9049809201577221
Energy: 0.9252547109427118
Energy: 0.9049809201583304
Energy: 0.7846033306162075
Energy: 0.9436724013306587
Energy: 0.7075589087624273
Energy: 0.9436724013312672
Energy: 0.7118192957941513
Energy: 0.9546268992206901
Energy: 0.9794227948333529
Energy: 0.9546268992206901
Energy: 0.6725023498764253
Energy: 0.7479747539185077
Energy: 0.7489014461218946
Energy: 0.7479747539185077
Energy: 0.7097729266591308
Energy: 0.9054662805039192
Energy: 1.2302274961198796
Energy: 0.9054662805039192
Energy: 0.677060730964366
Energy: 0.923110852026228
Energy: 0.9229873550405073
Energy: 0.923110852026228
Energy: 0.710588756137597
Energy: 0.8347395551140727
Energy: 1.2613470256550823
Energy: 0.8347395551146812
Energy: 0.6750079946419008
Energy: 0.755105528308279
Energy: 0.9683028232484191
Energy: 0.7551055283076705
Energy: 0.7097438185796734
Energy: 0.9053772462936736
Energy: 1.3144242299634783
Energy: 0.9053772462930652
Energy: 0.8581237998743468
Energy: 0.9234898103704946
Energy: 0.9228245468420756
Energy: 0.9234898103704946
Energy: 0.7098975536478008
Energy: 0.8343724585173918
Energy: 1.1439787702861974
Energy: 0.834372458847633
Energy: 0.840560798655806
Energy: 0.8704005862856573
Energy: 0.74913556285939
Energy: 0.8704005862826424
Energy: 0.7093797555458231
Energy: 0.905370584922379
Energy: 1.0139801149944745
Energy: 0.9053705849229874
Energy: 0.8404634149950053
Energy: 0.9551470530705832
Energy: 0.7076957634984078
Energy: 0.9551470530705832
Energy: 0.710032750622794
Energy: 0.8344582808703704
Energy: 0.8789537561187538
Energy: 0.8344582808314274
Energy: 0.8442017075973027
Energy: 1.0062271530976665
Energy: 0.7101543989557989
Energy: 1.006227153097058
Energy: 0.709387112042453
Energy: 0.8352368585431407
Energy: 0.8377321479754853
Energy: 0.8352368585437491
Energy: 1.0455790968088188
Energy: 0.8343938744381837
Energy: 0.7106530112478395
Energy: 0.8343938744284479
Energy: 0.7511826204549028
Energy: 0.7478382260126846
Energy: 0.6730274527834602
Energy: 0.7478382260126846
Energy: 1.0495463851017914
Energy: 0.8885098200596921
Energy: 0.7102642657495344
Energy: 0.8885098200590835
Energy: 0.9245317607511656
Energy: 0.9236642316941946
Energy: 0.6769739769861595
Energy: 0.923664231693586
Energy: 1.261200927716205
Energy: 0.834591008993263
Energy: 0.7106576814447108
Energy: 0.8345910089938713
Energy: 0.9706242052383883
Energy: 0.8667180388114666
Energy: 0.6753076097743126
Energy: 0.8667180388114666
Energy: 1.164937252872752
Energy: 0.8894857261023749
Energy: 0.7099987374710606
Energy: 0.8894857261023749
Energy: 0.9249523805851453
Energy: 0.9234890747910258
Energy: 0.6797651455188662
Energy: 0.9234890747910258
Energy: 1.1439668376561252
Energy: 0.8342669476591461
Energy: 0.7107289322641933
Energy: 0.8342669476585377
Energy: 0.7508930375182746
Energy: 0.7475999156733906
Energy: 0.840854012652419
Energy: 0.7475999156727821
Energy: 0.8909654698052917
Energy: 0.7736300894046406
Energy: 0.7102233044271984
Energy: 0.7736300894046406
Energy: 0.709404186528193
Energy: 0.9547158068669869
Energy: 0.8404380086287873
Energy: 0.9547158068675955
Energy: 0.8766019662146904
Energy: 0.8353248972358046
Energy: 0.7104265874493358
Energy: 0.8353248972358046
Energy: 0.7104172368892806
Energy: 0.7477247155318292
Energy: 0.8441549608858004
Energy: 0.7477247155318292
Energy: 0.6809946678943345
Energy: 0.8846845701338258
Energy: 0.7065653650936354
Energy: 0.8846845701344342
Energy: 0.7090735880171251
Energy: 0.8344606371304085
Energy: 1.0444683236969972
Energy: 0.834460637131017
Energy: 0.674222072721352
Energy: 0.74768274887108
Energy: 0.7507044339329623
Energy: 0.7476827488704715
Energy: 0.710104901638664
Energy: 0.7479229777603572
Energy: 1.0489331346912918
Energy: 0.7479229777633997

minimum gb energy = 0.6725023498764253 eV
minimum distance =  2.28874509045302 Angstroms
sigma value = 113


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

Energy: 0.020536265018897406
Energy: 0.021305661304077416
Energy: 1.3883832976807968
Energy: 0.021305661304077416
Energy: 0.9538654794496344
Energy: 0.4282187023178369
Energy: 0.42845933499805516
Energy: 0.4282187023173691
Energy: 0.020536265018429634
Energy: 0.021305661304077416
Energy: 1.3883832976803294
Energy: 0.02130566130360964
Energy: 0.9538654794501022
Energy: 0.4282187023178369
Energy: 0.42845933499805516
Energy: 0.4282187023178369
Energy: 0.020536265018897406
Energy: 0.021305661304077416
Energy: 1.3883832976807968
Energy: 0.021305661304077416
Energy: 0.9538654794501022
Energy: 0.4282187023178369
Energy: 0.42845933499852296
Energy: 0.4282187023173691

minimum gb energy = 0.020536265018429634 eV
minimum distance =  2.48058551160643 Angstroms
sigma value = 1