Model name: model_name=EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8667457550764093
cohesive_energy=4.280654192612446
mass=55.845
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=[1.571113633420008e-19, 2.36614251839022e-19, 3.00082877018298e-19, 3.52973932059906e-19, 3.9965014393822797e-19, 4.44849148960002e-19, 4.880021744201579e-19, 5.23532043455742e-19, 5.49652329119844e-19, 5.693190473021939e-19, 5.85661248968994e-19, 6.0008724738153e-19, 6.129687475188899e-19, 6.245012149304219e-19, 6.34977847940148e-19, 6.44696651401992e-19, 6.53789003799942e-19, 6.62141150592984e-19, 6.6948552828324e-19, 6.755385516064919e-19, 6.80152820312412e-19, 6.83349162697242e-19, 6.85193268002976e-19, 6.857828690042879e-19, 6.851708375301e-19, 6.832225907431559e-19, 6.79696199971722e-19, 6.74282445125436e-19, 6.66595201635504e-19, 6.561329882154839e-19, 6.42275762508018e-19, 6.242993406745379e-19, 6.01362579982194e-19, 5.72478539624442e-19, 5.36458404538854e-19, 4.918377852819539e-19, 4.36780587431178e-19, 3.68915589568206e-19, 2.85121751610006e-19, 1.81207779482034e-19, 5.15705410598652e-20, -1.110366085720824e-19, -3.1575857320535396e-19, -5.74593412781322e-19, -9.0530189615853e-19, -1.335660959640636e-18, -1.91359170635058e-18, -2.7264720433768195e-18, -3.87986298042708e-18, -5.538195905448779e-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: 0.0 eV

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

Energy: 0.013126983891262134
Energy: 0.013402889632169427
Energy: 2.2183151356095627
Energy: 1.2623055327357176
Energy: 0.013402889632169427
Energy: 0.3092257869192584
Energy: 1.2619775002893894
Energy: 0.309225786920228
Energy: 2.218315135608593
Energy: 1.261977500290359
Energy: 1.6455339614604236
Energy: 1.261977500290359
Energy: 1.2623055327367148
Energy: 0.3092257869192584
Energy: 1.2619775002893894
Energy: 0.3092257869192584

minimum gb energy = 0.013126983891262134 eV
minimum distance =  2.44177122853812 Angstroms
sigma value = 1


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

Energy: 2.597333775803746
Energy: 1.199955588727381
Energy: 1.1354619765263663
Energy: 1.1266559162466636
Energy: 2.2559868081006624
Energy: 1.1694844861472797
Energy: 1.1244626015737604
Energy: 1.1694844861460703
Energy: 2.2640297907995133
Energy: 1.1245520260396882
Energy: 1.1260988369459721
Energy: 1.124552026037269
Energy: 2.2700104821950453
Energy: 1.1355903114498025
Energy: 1.125899284043132
Energy: 1.135590311451012
Energy: 1.939928623484653
Energy: 1.1269056247322022
Energy: 1.6710971042468519
Energy: 1.126905624729783
Energy: 2.269919721239052
Energy: 1.1337231603157305
Energy: 1.4738404652677957
Energy: 1.1337231603169398
Energy: 1.953736407006063
Energy: 1.221526628634082
Energy: 1.4953548786546307
Energy: 1.2215266286328723
Energy: 1.9474184757464261
Energy: 1.125772348300529
Energy: 1.4962880387393789
Energy: 1.125772348300529
Energy: 1.7185844485658919
Energy: 1.1562041350209469
Energy: 1.4966482542594315
Energy: 1.1562041350197374
Energy: 1.9485105062591952
Energy: 1.2213730822292075
Energy: 1.9571049321587117
Energy: 1.221373082227998
Energy: 1.8968560823054585
Energy: 1.1254243777691813
Energy: 1.832011302576926
Energy: 1.125424377770391
Energy: 1.4941242636502137
Energy: 1.1254558005888635
Energy: 1.9492853208999101
Energy: 1.1254558005864446
Energy: 1.6329147329763956
Energy: 1.3155099321462875
Energy: 1.9552960936799695
Energy: 1.3155099321487065
Energy: 1.4734061394557987
Energy: 1.1341824744162865
Energy: 2.2695295018723294
Energy: 1.1341824744162865
Energy: 1.4729715574292095
Energy: 1.127299256281075
Energy: 2.0517459027934404
Energy: 1.1272992562798656
Energy: 1.125570891795229
Energy: 1.1262713548334575
Energy: 2.26845484821602
Energy: 1.1262713548334575
Energy: 1.1260488757117657
Energy: 1.1244310041205154
Energy: 2.270282725607874
Energy: 1.1244310041217251
Energy: 1.1626598035725038
Energy: 1.1695315050709831
Energy: 2.2661172102970544
Energy: 1.1695315050697739
Energy: 1.1252484130382832
Energy: 1.125487271212142
Energy: 2.1554951314545647
Energy: 1.125487271212142
Energy: 1.2391617897648082
Energy: 1.1253387504306733
Energy: 2.261384774452384
Energy: 1.1253387504294636
Energy: 1.2586084003661395
Energy: 1.1252275734124744
Energy: 2.1624029546076926
Energy: 1.1252275734136843
Energy: 1.258246332994783
Energy: 1.12508065591971
Energy: 2.1674720307066075
Energy: 1.1250806559209194
Energy: 1.2765472870975583
Energy: 1.1253009497000195
Energy: 1.944373300004342
Energy: 1.1253009497000195
Energy: 1.7188155805351788
Energy: 1.1453083441314624
Energy: 2.177864907218926
Energy: 1.1453083441302527
Energy: 1.7212363713929375
Energy: 1.2248711266563153
Energy: 1.8955508561348757
Energy: 1.2248711266563153
Energy: 1.7193726682182922
Energy: 1.1255921140327279
Energy: 1.7209035962773285
Energy: 1.1255921140315184
Energy: 1.7189944774592718
Energy: 1.145116206919219
Energy: 1.719703120826309
Energy: 1.1451162069204284
Energy: 2.1691654818643844
Energy: 1.1252653085313047
Energy: 1.7227272139520275
Energy: 1.1252653085313047
Energy: 2.0579022949727372
Energy: 1.1259108110511313
Energy: 1.7185829039833918
Energy: 1.1259108110523408
Energy: 2.0555107991757158
Energy: 1.1452956337373106
Energy: 1.2742670018688766
Energy: 1.145295633736101
Energy: 2.1624442615367445
Energy: 1.1252703919693348
Energy: 1.2947976990499712
Energy: 1.1252703919705447
Energy: 2.2663743774406138
Energy: 1.1696961099929586
Energy: 1.2942815675646278
Energy: 1.1696961099905394
Energy: 2.264900854956516
Energy: 1.1247772104462672
Energy: 1.238443993976211
Energy: 1.1247772104474767

minimum gb energy = 1.1244310041205154 eV
minimum distance =  2.3711189865769 Angstroms
sigma value = 1


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

Energy: 2.907740138326785
Energy: 1.353426714297578
Energy: 1.2087083539153824
Energy: 1.2084842027416005
Energy: 2.1811452010456556
Energy: 1.2093489544634746
Energy: 1.178873222877041
Energy: 1.2093489544634746
Energy: 2.2036491978820627
Energy: 1.1814354168623822
Energy: 1.1785453947535778
Energy: 1.181435416863761
Energy: 2.2069029658937738
Energy: 1.2088852903119316
Energy: 1.1793212106772573
Energy: 1.2088852903119316
Energy: 1.9411073593024253
Energy: 1.1802138719268123
Energy: 1.4385054840831186
Energy: 1.1802138719254334
Energy: 2.2066864598076603
Energy: 1.207440220446483
Energy: 1.478178385388551
Energy: 1.207440220446483
Energy: 1.9554751889763808
Energy: 1.2974433239609706
Energy: 1.4627122122880227
Energy: 1.2974433239595915
Energy: 1.9542795727039939
Energy: 1.2990916871268388
Energy: 1.4634730076103613
Energy: 1.2990916871268388
Energy: 1.9555469485463244
Energy: 1.207772970502702
Energy: 1.7814099697466874
Energy: 1.207772970502702
Energy: 1.9541683473529916
Energy: 1.2979235301317509
Energy: 1.9549671411032485
Energy: 1.2979235301317509
Energy: 1.7795687089723475
Energy: 1.2078507230296103
Energy: 1.6934749843151395
Energy: 1.207850723028231
Energy: 1.4772687198513261
Energy: 1.297986365402035
Energy: 1.6927762796746977
Energy: 1.2979863654006556
Energy: 1.5648243763175826
Energy: 1.29890174295758
Energy: 1.9549216424069884
Energy: 1.29890174295758
Energy: 1.4767163580821685
Energy: 1.2074015212965745
Energy: 2.19398405381212
Energy: 1.2074015212965745
Energy: 1.4387075311047184
Energy: 1.1814843532484307
Energy: 2.183514211199926
Energy: 1.1814843532498098
Energy: 1.1798816313662808
Energy: 1.1813219638393866
Energy: 2.1814055072227716
Energy: 1.1813219638393866
Energy: 1.1792511271914325
Energy: 1.1817520975909257
Energy: 2.2035205483828126
Energy: 1.1817520975923048
Energy: 1.2088863463321717
Energy: 1.208742752510146
Energy: 2.206393673232023
Energy: 1.208742752510146
Energy: 1.1803786519507453
Energy: 1.181558911361204
Energy: 1.9414661245524754
Energy: 1.181558911359825
Energy: 1.4376078909146799
Energy: 1.2123148147462222
Energy: 2.2071467737636477
Energy: 1.212314814744843
Energy: 1.461731076816655
Energy: 1.1798169408698251
Energy: 2.193653688066737
Energy: 1.179816940873963
Energy: 1.4620896941498747
Energy: 1.1807455711831247
Energy: 1.9536009550736297
Energy: 1.1807455711831247
Energy: 1.477495504047164
Energy: 1.1813946966057272
Energy: 1.9546840284183917
Energy: 1.1813946966057272
Energy: 1.9551660675189113
Energy: 1.2983478280421334
Energy: 1.9551961016882207
Energy: 1.2983478280421334
Energy: 1.6935327905335686
Energy: 1.314462366646239
Energy: 1.7803830639607277
Energy: 1.314462366646239
Energy: 1.6928283152359807
Energy: 1.2980527713935441
Energy: 1.476000641748535
Energy: 1.2980527713921652
Energy: 1.9557075414286424
Energy: 1.2985606363653175
Energy: 1.5648501775627106
Energy: 1.2985606363666968
Energy: 2.2062351052474463
Energy: 1.2076844864767788
Energy: 1.4756496329359452
Energy: 1.2076844864767788
Energy: 2.1834935811791762
Energy: 1.213769547070256
Energy: 1.439386200522521
Energy: 1.2137695470688772

minimum gb energy = 1.1785453947535778 eV
minimum distance =  2.37774457150115 Angstroms
sigma value = 25


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

Energy: 2.7607608680161597
Energy: 1.3398826659437622
Energy: 1.2613634468244888
Energy: 1.2610468517529063
Energy: 2.1090477514300843
Energy: 1.2943570468043706
Energy: 1.293166962993931
Energy: 1.2943570468043706
Energy: 2.122680208040959
Energy: 1.2644830135654441
Energy: 1.2615586810456907
Energy: 1.2644830135638412
Energy: 2.1189315210031854
Energy: 1.259394439697399
Energy: 1.2602232042356203
Energy: 1.259394439697399
Energy: 1.9549560077326682
Energy: 1.2930489075245606
Energy: 1.649817750853602
Energy: 1.2930489075245606
Energy: 2.1190058936118574
Energy: 1.2603338092668424
Energy: 1.6966590106313284
Energy: 1.2603338092668424
Energy: 2.008921636302733
Energy: 1.3756328514661789
Energy: 1.7144423168313072
Energy: 1.3756328514661789
Energy: 1.7273717261364054
Energy: 1.39479767743125
Energy: 1.7152319620115026
Energy: 1.39479767743125
Energy: 1.7129527081421532
Energy: 1.3739821012731817
Energy: 1.7010943573472381
Energy: 1.3739821012731817
Energy: 1.698663517322009
Energy: 1.2585662025355888
Energy: 2.1192193619181197
Energy: 1.2585662025355888
Energy: 1.6385687193089378
Energy: 1.2932738860963895
Energy: 2.1103863863500307
Energy: 1.2932738860947863
Energy: 1.2629226404870846
Energy: 1.2628808808398162
Energy: 2.1074266947575566
Energy: 1.262880880838213
Energy: 1.2631452460644088
Energy: 1.2660057724655573
Energy: 2.115785204669106
Energy: 1.266005772463954
Energy: 1.2927937024197074
Energy: 1.2938026760838044
Energy: 2.115024820634829
Energy: 1.2938026760838044
Energy: 1.2598674118852928
Energy: 1.2601552517249355
Energy: 1.9626933167219394
Energy: 1.2601552517265389
Energy: 1.4287921606454306
Energy: 1.2931420492964234
Energy: 2.10517504641305
Energy: 1.2931420492964234
Energy: 1.4420013673589052
Energy: 1.2625697214540972
Energy: 2.1163720729267292
Energy: 1.2625697214540972
Energy: 1.4428194233890075
Energy: 1.262752463133726
Energy: 1.9623915800648293
Energy: 1.2627524631353289
Energy: 1.4623618566732246
Energy: 1.2805865393953333
Energy: 1.7176636694196068
Energy: 1.2805865393953333
Energy: 1.9637829504589126
Energy: 1.4009414985763964
Energy: 1.9651783131568392
Energy: 1.4009414985779993
Energy: 1.836022164070784
Energy: 1.2879023704244212
Energy: 1.9655472397918783
Energy: 1.2879023704260246
Energy: 1.83535742678123
Energy: 1.2629695690944063
Energy: 1.45235061940051
Energy: 1.2629695690944063
Energy: 1.9639237096391469
Energy: 1.263074034882798
Energy: 1.4967210537013198
Energy: 1.2630740348844014
Energy: 2.1144444939025666
Energy: 1.2929234732493946
Energy: 1.4555967493547641
Energy: 1.2929234732493946
Energy: 2.095322950229185
Energy: 1.2595020361189473
Energy: 1.403691094813687
Energy: 1.2595020361205504

minimum gb energy = 1.2585662025355888 eV
minimum distance =  2.36288288495714 Angstroms
sigma value = 9


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

Energy: 2.5009156119787646
Energy: 1.4381166958098166
Energy: 1.3418169785552962
Energy: 1.3393838792986432
Energy: 1.9368658051561267
Energy: 1.3406088153374145
Energy: 1.3402608659655375
Energy: 1.3406088153385665
Energy: 1.9732555273451882
Energy: 1.3290198876995658
Energy: 1.32638651068587
Energy: 1.3290198876989792
Energy: 1.9767670428192765
Energy: 1.3409696792920938
Energy: 1.3408159291817117
Energy: 1.3409696792959185
Energy: 1.8865254375290568
Energy: 1.340662353381211
Energy: 1.4143016455877333
Energy: 1.3406623533787334
Energy: 1.9797308051534992
Energy: 1.3409642760318914
Energy: 1.66902785329922
Energy: 1.3409642760343907
Energy: 1.9768684407018384
Energy: 1.5027937335097497
Energy: 1.303675065637604
Energy: 1.5027937335093584
Energy: 1.6956120608041307
Energy: 1.495687427060639
Energy: 1.6980703785593163
Energy: 1.4956874270602696
Energy: 1.7041319803757953
Energy: 1.4858114457817306
Energy: 1.9711296287250144
Energy: 1.485811445782687
Energy: 1.668022413627053
Energy: 1.4856068264714
Energy: 1.978943012869072
Energy: 1.4856068264761813
Energy: 1.640346377218276
Energy: 1.3402952244302637
Energy: 1.9363288015067088
Energy: 1.3402952244317852
Energy: 1.340464038396995
Energy: 1.340687220742825
Energy: 1.9367011591953591
Energy: 1.3406872207397604
Energy: 1.3283408282159554
Energy: 1.330109550915758
Energy: 1.9768904270149725
Energy: 1.330109550923778
Energy: 1.3405877138684286
Energy: 1.340794940984436
Energy: 1.9795895555721776
Energy: 1.3407949409850228
Energy: 1.3404787593106557
Energy: 1.3404847035376966
Energy: 1.6742908405209662
Energy: 1.340484703538457
Energy: 1.66872341984443
Energy: 1.3411735142444803
Energy: 1.9803694079459406
Energy: 1.341173514244676
Energy: 1.3041011566484542
Energy: 1.5011892050332745
Energy: 1.975860292375953
Energy: 1.5011892050329052
Energy: 1.304013610773332
Energy: 1.5012620966215489
Energy: 1.6755080008549301
Energy: 1.5012620966219399
Energy: 1.6690346477524587
Energy: 1.499462032949927
Energy: 1.693137613906657
Energy: 1.499462032949536
Energy: 1.9763067145804405
Energy: 1.5004574994534707
Energy: 1.6738122223705312
Energy: 1.5004574994517321
Energy: 1.9377251425611788
Energy: 1.3249655665731888
Energy: 1.6371756263759698
Energy: 1.3249655665756879

minimum gb energy = 1.303675065637604 eV
minimum distance =  2.36962835852639 Angstroms
sigma value = 25


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

Energy: 2.1712254545629857
Energy: 1.45028719083415
Energy: 1.425971367994088
Energy: 1.453031303894046
Energy: 1.7680750961269267
Energy: 1.4762299782673625
Energy: 1.4713702845689232
Energy: 1.4762299782673625
Energy: 1.8080445423676668
Energy: 1.407983128021397
Energy: 1.4063542224417576
Energy: 1.4079831280211552
Energy: 1.81217861501693
Energy: 1.427115726136683
Energy: 1.4244490008286592
Energy: 1.4271157261373817
Energy: 1.644148479625004
Energy: 1.4069732836958693
Energy: 1.7621386788669717
Energy: 1.4069732836956275
Energy: 1.810900554457727
Energy: 1.5156234671998172
Energy: 1.8104362613130673
Energy: 1.5156234672000324
Energy: 1.7615495608370928
Energy: 1.471048773072971
Energy: 1.8054470182289086
Energy: 1.4710487730722726
Energy: 1.4261269976470985
Energy: 1.4258466885270191
Energy: 1.806271375063156
Energy: 1.42584668852796
Energy: 1.4037592777011665
Energy: 1.4086973127559443
Energy: 1.8069333987573386
Energy: 1.4086973127566433
Energy: 1.4699275241554712
Energy: 1.4549123237993533
Energy: 1.8082326109060485
Energy: 1.454912323800052
Energy: 1.423341689107207
Energy: 1.408096952398363
Energy: 1.7964654050523927
Energy: 1.408096952399546
Energy: 1.6902550072978269
Energy: 1.4701716987705997
Energy: 1.7960357280824375
Energy: 1.4701716987713254
Energy: 1.6535021247185127
Energy: 1.4089722548512142
Energy: 1.8080380374877805
Energy: 1.4089722548519132
Energy: 1.6561596167815633
Energy: 1.5764265813132912
Energy: 1.671486097410133
Energy: 1.5764265813139897
Energy: 1.6794254759907838
Energy: 1.578435728753341
Energy: 1.655744936235221
Energy: 1.578435728753126
Energy: 1.8141583324061075
Energy: 1.4092632655994055
Energy: 1.678461492611042
Energy: 1.4092632655998891
Energy: 1.7670485441945192
Energy: 1.4710153726588717
Energy: 1.6565043622725875
Energy: 1.4710153726586297

minimum gb energy = 1.4037592777011665 eV
minimum distance =  2.37645663959396 Angstroms
sigma value = 17


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

Energy: 1.9742232712232788
Energy: 1.4789555240327463
Energy: 1.4919938766483243
Energy: 1.4999111083215342
Energy: 1.7013230806222635
Energy: 1.5502784847643363
Energy: 1.5494346651697872
Energy: 1.5502784847643363
Energy: 1.7088021112582588
Energy: 1.4917271975113768
Energy: 1.4895827514134017
Energy: 1.4917271975113768
Energy: 1.709273288097579
Energy: 1.4974038958289202
Energy: 1.4984790476647691
Energy: 1.49740389583026
Energy: 1.710663057365225
Energy: 1.5448446027698721
Energy: 1.7137230439685944
Energy: 1.5448446027698721
Energy: 1.710085059288749
Energy: 1.562801353827457
Energy: 1.7083236234087593
Energy: 1.562801353827457
Energy: 1.6148277259574573
Energy: 1.4679470219174586
Energy: 1.6946587048888258
Energy: 1.4679470219174586
Energy: 1.4867537419357815
Energy: 1.4886214044296728
Energy: 1.717918278247542
Energy: 1.4886214044283332
Energy: 1.4564328101603672
Energy: 1.4545751466389165
Energy: 1.7153615904010462
Energy: 1.4545751466402561
Energy: 1.4671740949311958
Energy: 1.4659130248132455
Energy: 1.7255713542494504
Energy: 1.4659130248145846
Energy: 1.4780327168997673
Energy: 1.4660730716659716
Energy: 1.6989496103641895
Energy: 1.4660730716673112
Energy: 1.697535846341673
Energy: 1.470631719972239
Energy: 1.72583191549901
Energy: 1.4706317199708994
Energy: 1.6994831752467623
Energy: 1.4715952789556206
Energy: 1.6939166984340264
Energy: 1.4715952789556206
Energy: 1.7023390058054615
Energy: 1.4707727585959265
Energy: 1.4574646658681776
Energy: 1.470772758594587
Energy: 1.7249466589326994
Energy: 1.4571366830760741
Energy: 1.4646237704485678
Energy: 1.457136683077414
Energy: 1.7188183089715585
Energy: 1.4545809735586643
Energy: 1.4569342297593382
Energy: 1.4545809735586643
Energy: 1.7089922125905488
Energy: 1.4905008558941015
Energy: 1.4889145154398
Energy: 1.4905008558941015
Energy: 1.7082819909708218
Energy: 1.486865807759681
Energy: 1.6508157964015442
Energy: 1.4868658077583414
Energy: 1.7094689217098533
Energy: 1.563497967673637
Energy: 1.717805688095693
Energy: 1.5634979676763159
Energy: 1.5472488264649258
Energy: 1.5684546164166941
Energy: 1.6906384920039013
Energy: 1.568454616415355
Energy: 1.495768941994904
Energy: 1.4962100068620745
Energy: 1.7144045362863203
Energy: 1.496210006863414
Energy: 1.4902661108153907
Energy: 1.492129965253366
Energy: 1.7103541201000136
Energy: 1.492129965253366
Energy: 1.55052181686516
Energy: 1.5511819955850759
Energy: 1.7082570197537068
Energy: 1.5511819955850759
Energy: 1.5563470475593952
Energy: 1.4925495623437255
Energy: 1.70559884762208
Energy: 1.492549562342386
Energy: 1.6717659194916312
Energy: 1.5675485379063903
Energy: 1.7138203591242884
Energy: 1.5675485379063903
Energy: 1.616804448021302
Energy: 1.4896857012648883
Energy: 1.7089476297945112
Energy: 1.4896857012675673
Energy: 1.6225480242267019
Energy: 1.6404130140788507
Energy: 1.6165663512524155
Energy: 1.6404130140788507
Energy: 1.7154109254959797
Energy: 1.4897995811625888
Energy: 1.6157908055558396
Energy: 1.489799581165268
Energy: 1.7125000406760755
Energy: 1.5504345237975519
Energy: 1.6710346175851145
Energy: 1.5504345237948727
Energy: 1.699607101819077
Energy: 1.4923949550251798
Energy: 1.5520199957981764
Energy: 1.4923949550238402

minimum gb energy = 1.4545751466389165 eV
minimum distance =  2.34178368704486 Angstroms
sigma value = 53


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

Energy: 1.4493997332571298
Energy: 1.4616810561728608
Energy: 1.5303626312261636
Energy: 1.5682351377561792
Energy: 1.4654584112834312
Energy: 1.5539107457078363
Energy: 1.4997325893593927
Energy: 1.5539107457158612
Energy: 1.573136565951175
Energy: 1.5481310117463818
Energy: 1.5817541244028475
Energy: 1.5481310117439286
Energy: 1.5240348248287716
Energy: 1.550047649499117
Energy: 1.5173881286931192
Energy: 1.5500476494988016
Energy: 1.5715463611904608
Energy: 1.5547318452318697
Energy: 1.5166084626148364
Energy: 1.554731845232781
Energy: 1.5239849514484192
Energy: 1.5437453591165757
Energy: 1.522528196306128
Energy: 1.5437453591236894
Energy: 1.5626221944980438
Energy: 1.5520512642934234
Energy: 1.4598422593934297
Energy: 1.5520512642875364
Energy: 1.4953307716987965
Energy: 1.5554410263503609
Energy: 1.5006315553860081
Energy: 1.5554410263349419
Energy: 1.5073222112172107
Energy: 1.5482760774058895
Energy: 1.5635677438510334
Energy: 1.5482760773948157
Energy: 1.4999451913460742
Energy: 1.518926049544435
Energy: 1.5251555807474622
Energy: 1.518926049544435
Energy: 1.5099351309731017
Energy: 1.5510112363281716
Energy: 1.571577373126404
Energy: 1.5510112363281716
Energy: 1.5167440743286145
Energy: 1.546926029206647
Energy: 1.5230415656139547
Energy: 1.5469260292075582
Energy: 1.499949078263684
Energy: 1.5570915041854607
Energy: 1.569637862262662
Energy: 1.557091504184234

minimum gb energy = 1.4493997332571298 eV
minimum distance =  2.3759455036534 Angstroms
sigma value = 9


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

Energy: 2.0089804136688514
Energy: 1.6817820898473768
Energy: 1.7074597213835947
Energy: 1.7063120705982764
Energy: 1.8125531417993963
Energy: 1.7531830527368786
Energy: 1.6855267034744994
Energy: 1.7531830527368786
Energy: 1.682332609585827
Energy: 1.6431191604913107
Energy: 1.6695978419552726
Energy: 1.6431191604901694
Energy: 1.6773788575153432
Energy: 1.6449200520541067
Energy: 1.658817207924635
Energy: 1.644920052057531
Energy: 1.6600447017934272
Energy: 1.6554334595113858
Energy: 1.6740947776113215
Energy: 1.6554334595102442
Energy: 1.7026952399770023
Energy: 1.7049108621274198
Energy: 1.7196925477486602
Energy: 1.7049108621239957
Energy: 1.6902732232012592
Energy: 1.6912686296810577
Energy: 1.8552917394926094
Energy: 1.6912686296799164
Energy: 1.8108531925466174
Energy: 1.6885715223271918
Energy: 1.8552747052249488
Energy: 1.688571522328333
Energy: 1.8435380696735983
Energy: 1.5809687285666163
Energy: 1.7053345768075847
Energy: 1.5809687285643335
Energy: 1.7420395798462807
Energy: 1.667992099243733
Energy: 1.5973004968473608
Energy: 1.667992099243733
Energy: 1.8407757678400194
Energy: 1.5786147495519653
Energy: 1.5699860609238685
Energy: 1.5786147495519653
Energy: 1.8117665660422024
Energy: 1.6874357643458053
Energy: 1.6413063253300966
Energy: 1.6874357643469466
Energy: 1.8585977839749697
Energy: 1.6100761578105005
Energy: 1.6095126386142116
Energy: 1.610076157808218
Energy: 1.863977406294879
Energy: 1.6112890240449567
Energy: 1.8564095943465797
Energy: 1.6112890240438154
Energy: 1.8137210814082496
Energy: 1.583227812962314
Energy: 1.8525337079835942
Energy: 1.583227812964597
Energy: 1.6898611712475073
Energy: 1.5776608476219331
Energy: 1.9788295556420792
Energy: 1.5776608476207918
Energy: 1.5683441556320852
Energy: 1.5721550657893388
Energy: 1.9066785304866942
Energy: 1.572155065787056
Energy: 1.5854253709746535
Energy: 1.6784959251205591
Energy: 1.8152531323228147
Energy: 1.6784959251217006
Energy: 1.5744218048293175
Energy: 1.5746471534506312
Energy: 1.8680827414255328
Energy: 1.57464715344949
Energy: 1.5902087722268334
Energy: 1.5911294568236722
Energy: 1.9238007553899363
Energy: 1.5911294568236722
Energy: 1.8211713594905514
Energy: 1.585752216912728
Energy: 1.8676225833547544
Energy: 1.5857522169150107
Energy: 1.8669063171107487
Energy: 1.578044173273444
Energy: 1.8065465671953391
Energy: 1.578044173273444
Energy: 1.8700488587062976
Energy: 1.5779288426217848
Energy: 1.5766248604917021
Energy: 1.577928842622926
Energy: 1.8672059906492495
Energy: 1.5923956698615982
Energy: 1.5835888471168178
Energy: 1.592395669863881
Energy: 1.8973682508108176
Energy: 1.579563594724307
Energy: 1.5647603346712098
Energy: 1.579563594724307
Energy: 1.8515878689318928
Energy: 1.5791427644638287
Energy: 1.5770814213594675
Energy: 1.5791427644672529
Energy: 1.9000171184866665
Energy: 1.5733747240022848
Energy: 1.8125282522278323
Energy: 1.5733747240034262
Energy: 1.849430740811867
Energy: 1.631152047823348
Energy: 1.8574629884768046
Energy: 1.6311520478210655
Energy: 1.6189123089237059
Energy: 1.6307798772345314
Energy: 1.8619099205402494
Energy: 1.6307798772379556
Energy: 1.6082567420070408
Energy: 1.6282936544704563
Energy: 1.8414622776590155
Energy: 1.6282936544704563
Energy: 1.5789082602499798
Energy: 1.6571882348643783
Energy: 1.7807096746349955
Energy: 1.6571882348666611
Energy: 1.579545704500366
Energy: 1.5860007964338436
Energy: 1.840210647925206
Energy: 1.5860007964338436
Energy: 1.6024105544501068
Energy: 1.661779131581337
Energy: 1.862802825251488
Energy: 1.6617791315801957
Energy: 1.7414081044393166
Energy: 1.6917116809227428
Energy: 1.8093730290382526
Energy: 1.6917116809227428
Energy: 1.8547309940739372
Energy: 1.7013100635140483
Energy: 1.7772328669417794
Energy: 1.701310063510624

minimum gb energy = 1.5647603346712098 eV
minimum distance =  2.32617643561618 Angstroms
sigma value = 73


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

Energy: 2.3281421280885466
Energy: 1.70484805096889
Energy: 1.76656383544147
Energy: 1.7659503566480288
Energy: 1.92760258137067
Energy: 1.7076398248522766
Energy: 1.73405189685236
Energy: 1.7076398248539022
Energy: 1.701800761013285
Energy: 1.6719139514083676
Energy: 1.6960567347562563
Energy: 1.6719139514080175
Energy: 1.6965432356991434
Energy: 1.671408438241879
Energy: 1.6963335531403538
Energy: 1.6714084382426198
Energy: 1.7045602355916754
Energy: 1.689680072228412
Energy: 1.7024938224839696
Energy: 1.6896800722289678
Energy: 1.7492245236929551
Energy: 1.725194255448467
Energy: 1.7802994672304058
Energy: 1.725194255448467
Energy: 1.7267044466747166
Energy: 1.7271079783526528
Energy: 2.002413771879829
Energy: 1.7271079783515622
Energy: 1.9145898992222898
Energy: 1.7257708848522038
Energy: 2.004166887299981
Energy: 1.7257708848529236
Energy: 1.9769404038029863
Energy: 1.5867225628741766
Energy: 1.7772882654975766
Energy: 1.5867225628734567
Energy: 1.8370673758036669
Energy: 1.689640685406907
Energy: 1.5855453643604742
Energy: 1.6896406854070922
Energy: 1.9740771881635197
Energy: 1.5890816509717278
Energy: 1.5759385916141389
Energy: 1.5890816509713575
Energy: 1.8927217928618079
Energy: 1.62715184530691
Energy: 1.6386495337482474
Energy: 1.6271518453058402
Energy: 1.9474667664119474
Energy: 1.6227225362590638
Energy: 1.6212742864607277
Energy: 1.6227225362599695
Energy: 1.9484038866781646
Energy: 1.619688411526903
Energy: 1.909744408900072
Energy: 1.6196884115265533
Energy: 1.9633399565994767
Energy: 1.5997216456474048
Energy: 1.9844481862414842
Energy: 1.5997216456470549
Energy: 1.7803621156961666
Energy: 1.6193365773322386
Energy: 2.079927201710191
Energy: 1.619336577331683
Energy: 1.6173661617752642
Energy: 1.6187954723935387
Energy: 2.08145717298902
Energy: 1.6187954723930036
Energy: 1.6196214894966368
Energy: 1.6254118158705526
Energy: 1.8914281736323313
Energy: 1.6254118158705526
Energy: 1.5786060685451162
Energy: 1.5877598959414756
Energy: 1.9769514284967882
Energy: 1.5877598959411052
Energy: 1.585671085618222
Energy: 1.70098071080319
Energy: 1.972819227591651
Energy: 1.7009807108039101
Energy: 1.761628528447513
Energy: 1.586926659886551
Energy: 1.956392148224634
Energy: 1.586926659886551
Energy: 2.1505025216238898
Energy: 1.7359722242873243
Energy: 1.9145775624897814
Energy: 1.7359722242867894

minimum gb energy = 1.5759385916141389 eV
minimum distance =  2.36561064080101 Angstroms
sigma value = 7


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

Energy: 2.932275512395277
Energy: 1.6599390276701016
Energy: 1.7853343222695621
Energy: 1.7810110733478914
Energy: 1.6177490794995093
Energy: 1.6696912729448292
Energy: 1.7583577104797614
Energy: 1.6696912729435485
Energy: 1.7106405849227897
Energy: 1.6200722310865556
Energy: 1.6949489537789106
Energy: 1.6200722310865556
Energy: 1.69655234430888
Energy: 1.61969407665721
Energy: 1.6973026822961232
Energy: 1.6196940766559296
Energy: 1.699152521382067
Energy: 1.6279677243778032
Energy: 1.7036760255491208
Energy: 1.627967724376523
Energy: 1.7533299154864235
Energy: 1.668578318971272
Energy: 1.5990808690134162
Energy: 1.6685783189725527
Energy: 1.7614147310889727
Energy: 1.7599164662413038
Energy: 2.0875155469671256
Energy: 1.7599164662413038
Energy: 1.9537845886095486
Energy: 1.7578929603144502
Energy: 2.0871330668424504
Energy: 1.7578929603144502
Energy: 2.0228618792583983
Energy: 1.5921804268037758
Energy: 1.7909321193098198
Energy: 1.5921804268037758
Energy: 1.823433107549521
Energy: 1.5998989776609085
Energy: 1.597250704797619
Energy: 1.5998989776609085
Energy: 2.021889063995675
Energy: 1.59044380286987
Energy: 1.5874909351772044
Energy: 1.5904438028685897
Energy: 1.9126153201442293
Energy: 1.5612982846988932
Energy: 1.5927661910973798
Energy: 1.5612982846988932
Energy: 2.021763696858149
Energy: 1.5913894584930568
Energy: 1.5901871906379754
Energy: 1.5913894584930568
Energy: 2.021663631564625
Energy: 1.5959403802583683
Energy: 1.7906491331028074
Energy: 1.595940380259649
Energy: 1.9638542292021257
Energy: 1.6762676248459452
Energy: 1.8223144947489838
Energy: 1.6762676248446646
Energy: 1.8113749830879113
Energy: 1.7631095219569934
Energy: 1.9087851058171155
Energy: 1.7631095219569934
Energy: 1.7564443908863427
Energy: 1.6737857105781484
Energy: 1.9949266323639443
Energy: 1.6737857105781484
Energy: 1.7412092511291075
Energy: 1.621421262460878
Energy: 1.7451530881334965
Energy: 1.621421262460878
Energy: 1.700974115654758
Energy: 1.6500476760493794
Energy: 1.7025069786044238
Energy: 1.6500476760493794
Energy: 1.7016439749963184
Energy: 1.651357779771148
Energy: 1.7085355428398152
Energy: 1.651357779769868
Energy: 1.7061274079245539
Energy: 1.6316142063330676
Energy: 1.741722102304099
Energy: 1.6316142063343477
Energy: 2.0883927525466723
Energy: 1.7589690529597977
Energy: 1.759342522686506
Energy: 1.7589690529597977
Energy: 2.086532824677826
Energy: 1.7593627340823634
Energy: 1.9553693495691893
Energy: 1.7593627340823634
Energy: 1.6021278692293701
Energy: 1.5681800793730174
Energy: 2.016075623809439
Energy: 1.5681800793755787
Energy: 1.5970507273065122
Energy: 1.598413713149357
Energy: 1.8251378547383825
Energy: 1.598413713149357
Energy: 1.5847880448259564
Energy: 1.5916886622412014
Energy: 1.8141090181934112
Energy: 1.591688662242482
Energy: 1.599003314715217
Energy: 1.5668592297109698
Energy: 1.911077228115051
Energy: 1.5668592297109698
Energy: 1.5912692200136718
Energy: 1.5933798257775345
Energy: 2.019013971957551
Energy: 1.5933798257775345
Energy: 1.5996946578480544
Energy: 1.6009841934193891
Energy: 2.12353365998214
Energy: 1.6009841934193891
Energy: 1.8212078143842414
Energy: 1.5914346873396212
Energy: 2.015665702485722
Energy: 1.591434687338341
Energy: 1.6171110640546524
Energy: 1.6787630174145698
Energy: 1.9566592212804288
Energy: 1.6787630174145698

minimum gb energy = 1.5612982846988932 eV
minimum distance =  2.36074524868093 Angstroms
sigma value = 29


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

Energy: 2.0404037310376393
Energy: 1.3999928327047604
Energy: 1.7451576004028162
Energy: 1.7351763068288282
Energy: 1.8279561258111336
Energy: 1.5415209986459262
Energy: 1.6732346194961707
Energy: 1.5415209986459262
Energy: 1.653198542069245
Energy: 1.54834563972034
Energy: 1.6660044536474385
Energy: 1.5483456397198943
Energy: 1.6839652241221545
Energy: 1.5577335274038921
Energy: 1.3993793932486485
Energy: 1.5577335274064943
Energy: 1.6614128402661255
Energy: 1.5501462441919198
Energy: 1.660206668862233
Energy: 1.5501462441910276
Energy: 1.6760660200823974
Energy: 1.5493162255639732
Energy: 1.7317889818548606
Energy: 1.54931622556266
Energy: 1.7198644768619233
Energy: 1.724439682615064
Energy: 1.6130481884688972
Energy: 1.7244396821093821
Energy: 1.7483071419760865
Energy: 1.551546311593353
Energy: 1.7288195518263965
Energy: 1.5515463115920398
Energy: 1.8263557166545215
Energy: 1.541597762929469
Energy: 1.7297516502199468
Energy: 1.5415977629290476

minimum gb energy = 1.3993793932486485 eV
minimum distance =  2.39510461366265 Angstroms
sigma value = 5


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

Energy: 2.005646074343257
Energy: 1.9265310451565636
Energy: 2.196667498845457
Energy: 2.1971948720827124
Energy: 1.4906269592326375
Energy: 1.4885106504796026
Energy: 1.7781358357871637
Energy: 1.4885106504783934
Energy: 1.4905351216322031
Energy: 1.5032813474656577
Energy: 1.8775822779042306
Energy: 1.503281347470496
Energy: 1.4829011161040229
Energy: 1.4892669249622765
Energy: 1.787211904514775
Energy: 1.4892669249610668
Energy: 1.4834500813466824
Energy: 1.489185199293366
Energy: 1.7638791901328954
Energy: 1.489185199293366
Energy: 1.506476374719966
Energy: 1.5591162908478875
Energy: 1.7105970882474282
Energy: 1.5591162908515166
Energy: 1.5054100633891931
Energy: 1.5585592175199443
Energy: 1.7205447630910677
Energy: 1.5585592175187346
Energy: 1.5118745124640918
Energy: 1.598571926404609
Energy: 1.7134542615690707
Energy: 1.5985719264021898
Energy: 1.5123465994246927
Energy: 1.5906265866524756
Energy: 1.7172816172568848
Energy: 1.5906265866524756
Energy: 1.8491497004736823
Energy: 1.8088833125756765
Energy: 1.814485748796157
Energy: 1.8088833125780956
Energy: 1.5114206578045366
Energy: 1.589623332177
Energy: 1.720416660266411
Energy: 1.5896233321745805
Energy: 1.789856152867072
Energy: 1.579665527624838
Energy: 1.9308149421700005
Energy: 1.5796655276212093
Energy: 1.784407134990739
Energy: 1.693673262313063
Energy: 1.9323915017384394
Energy: 1.6936732623142723
Energy: 1.584544861133201
Energy: 1.6646220745509932
Energy: 1.5149864474695973
Energy: 1.6646220745497833
Energy: 1.7186174143490347
Energy: 1.5804479685977997
Energy: 1.5106911341777356
Energy: 1.5804479685977997
Energy: 1.716884376864407
Energy: 1.5938036299240004
Energy: 1.514539980229324
Energy: 1.593803629921581
Energy: 1.6128410873042809
Energy: 1.556709091089449
Energy: 1.506583973747255
Energy: 1.5567090910906585
Energy: 1.8751895665347864
Energy: 1.491769785309275
Energy: 1.4909974470066467
Energy: 1.4917697853080656
Energy: 1.8809115224301007
Energy: 1.4875199343846943
Energy: 1.4865817006528537
Energy: 1.4875199343834846
Energy: 1.869638355948726
Energy: 1.4903074108313508
Energy: 1.4928738866802123
Energy: 1.490307410827722
Energy: 1.8606497611234127
Energy: 1.5944025872656566
Energy: 1.7375303264529032
Energy: 1.594402587264447
Energy: 2.055523328793334
Energy: 1.8884535739388437
Energy: 1.7371629641120452
Energy: 1.8884535739400534
Energy: 1.7594452969715693
Energy: 1.4881033647900253
Energy: 1.4925919203274909
Energy: 1.4881033647924446
Energy: 1.9508989917226776
Energy: 1.5739313830574178
Energy: 1.6244200014920493
Energy: 1.5739313830586272
Energy: 1.9489090724340947
Energy: 1.5096330529163096
Energy: 1.5793982254662733
Energy: 1.5096330529150999
Energy: 1.5878932365471332
Energy: 1.6023733556819162
Energy: 1.5631845049663349
Energy: 1.6023733556807063
Energy: 1.578110784098593
Energy: 1.616438155051753
Energy: 1.586852192469146
Energy: 1.616438155051753
Energy: 1.586274121014224
Energy: 1.634056274443275
Energy: 1.5784393088299888
Energy: 1.634056274443275
Energy: 1.5863725939543787
Energy: 1.5829490173744687
Energy: 1.5879187216197324
Energy: 1.5829490173756782
Energy: 1.5733588591606706
Energy: 1.577678808624222
Energy: 1.8608671800747985
Energy: 1.577678808623012
Energy: 1.62640301057561
Energy: 1.5791963617171936
Energy: 1.8611761007904253
Energy: 1.5791963617147746
Energy: 1.6292859191259252
Energy: 1.4875546306825396
Energy: 1.9472789677768745
Energy: 1.4875546306825396
Energy: 1.51784921606647
Energy: 1.8110227815375408
Energy: 2.087439475328291
Energy: 1.8110227815387505

minimum gb energy = 1.4829011161040229 eV
minimum distance =  2.33717229819822 Angstroms
sigma value = 1


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

Energy: 2.396879975047866
Energy: 1.4180731939749145
Energy: 1.842648988709421
Energy: 1.8437497705870454
Energy: 1.7116937853156624
Energy: 1.5384739180752491
Energy: 1.4932731038494325
Energy: 1.5384739180752491
Energy: 1.4914654250682828
Energy: 1.5607590771219444
Energy: 1.5536042113382929
Energy: 1.560759077120272
Energy: 1.4830655366383676
Energy: 1.549124927632652
Energy: 1.4910030826695675
Energy: 1.54912492763098
Energy: 1.4801750287678352
Energy: 1.5352964266170999
Energy: 1.5546565868678948
Energy: 1.5352964266170999
Energy: 1.4811899601703686
Energy: 1.5320360361252565
Energy: 1.5611558188880437
Energy: 1.5320360361269285
Energy: 1.4811050771396104
Energy: 1.5482616342352673
Energy: 1.7474135586359798
Energy: 1.5482616342352673
Energy: 1.4932886583332148
Energy: 1.5543008952640114
Energy: 1.7427189806907855
Energy: 1.5543008952640114
Energy: 1.4925118330512348
Energy: 1.5550849516720937
Energy: 1.696612403252488
Energy: 1.5550849516720937
Energy: 1.6849901567711802
Energy: 1.8331027035568817
Energy: 1.8327632303001153
Energy: 1.833102703558554
Energy: 1.494102855726262
Energy: 1.5538082866376068
Energy: 1.7205559766933383
Energy: 1.5538082866376068
Energy: 1.490565374284663
Energy: 1.5541862982807657
Energy: 1.9024107027005621
Energy: 1.5541862982807657
Energy: 1.4792918410100417
Energy: 1.5474400360950222
Energy: 1.898756839041075
Energy: 1.5474400360950222
Energy: 1.4990576522822785
Energy: 1.5483878566474627
Energy: 1.491709618352048
Energy: 1.5483878566474627
Energy: 1.4907813636278568
Energy: 1.5478741265831446
Energy: 1.4867394265402454
Energy: 1.5478741265831446
Energy: 1.490297958566421
Energy: 1.5650018892076958
Energy: 1.5040354091830186
Energy: 1.5650018892076958
Energy: 1.5509942054682195
Energy: 1.5966975689583525
Energy: 1.4782504240653458
Energy: 1.5966975689583525
Energy: 1.5631645727931154
Energy: 1.5352706767135533
Energy: 1.4877211246389064
Energy: 1.5352706767135533
Energy: 1.7472945141641776
Energy: 1.5489433214197987
Energy: 1.4816094083603146
Energy: 1.5489433214197987
Energy: 1.6970851482497138
Energy: 1.535711349150525
Energy: 1.493533903438027
Energy: 1.5357113491521976
Energy: 1.7108700339375913
Energy: 1.5636810419369325
Energy: 1.6847549027952722
Energy: 1.5636810419386051
Energy: 1.8344506468484856
Energy: 1.55437899627951
Energy: 1.683811692993288
Energy: 1.5543789962744925
Energy: 1.7205861198197772
Energy: 1.5493995541764962
Energy: 1.4943500110752466
Energy: 1.5493995541764962
Energy: 1.8982551934031588
Energy: 1.5517296374992813
Energy: 1.4841604839078257
Energy: 1.5517296374992813

minimum gb energy = 1.4180731939749145 eV
minimum distance =  2.3551819239693 Angstroms
sigma value = 17


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

Energy: 2.005278298146036
Energy: 1.9243422976055264
Energy: 2.1641381573121867
Energy: 2.1660978153567414
Energy: 1.4605172058815945
Energy: 1.5665389786770114
Energy: 1.5149462572924677
Energy: 1.5665389786801125
Energy: 1.465429594946242
Energy: 1.4667306670419913
Energy: 1.7958232618427183
Energy: 1.4667306670419913
Energy: 1.4624119244138307
Energy: 1.4640570338068504
Energy: 1.7973697261983095
Energy: 1.4640570338109853
Energy: 1.4608798703811017
Energy: 1.4618023345683355
Energy: 1.608538211262479
Energy: 1.4618023345714366
Energy: 1.5397430722153105
Energy: 1.5983782015564645
Energy: 1.5326770101121725
Energy: 1.5983782015543968
Energy: 1.5371116955015434
Energy: 1.6077477262584328
Energy: 1.5376354305665403
Energy: 1.6077477262605002
Energy: 1.5370759564720142
Energy: 1.604431112720649
Energy: 1.5341584933645336
Energy: 1.60443111272375
Energy: 1.6115559264687627
Energy: 1.4629335307730171
Energy: 1.4667201977467275
Energy: 1.4629335307740512
Energy: 1.7336771976460783
Energy: 1.4614505369767796
Energy: 1.4608580258554529
Energy: 1.461450536972645
Energy: 1.8437203650935914
Energy: 1.4619822984356299
Energy: 1.4665183920195473
Energy: 1.4619822984356299
Energy: 1.501766151560908
Energy: 1.584371376340949
Energy: 1.695416239555528
Energy: 1.5843713763430165
Energy: 1.7710843082858605
Energy: 1.5508895549075148
Energy: 1.7058187600958077
Energy: 1.5508895549054476
Energy: 1.6409250097869135
Energy: 1.4662425916193744
Energy: 1.467669468271823
Energy: 1.4662425916214417
Energy: 1.789283989280432
Energy: 1.4725182952840847
Energy: 1.6066020212016876
Energy: 1.472518295283051
Energy: 1.9241077137410918
Energy: 1.4713772246957555
Energy: 1.4726805460534782
Energy: 1.471377224696789
Energy: 1.492371735736553
Energy: 1.5870533681307109
Energy: 1.484518085476328
Energy: 1.5870533681307109
Energy: 1.487269496166836
Energy: 1.5807597712251282
Energy: 1.6282089966424065
Energy: 1.5807597712240944
Energy: 1.490921893368165
Energy: 1.5441526081548065
Energy: 1.6245888616549449
Energy: 1.5441526081548065
Energy: 1.4647016981887415
Energy: 1.5203684590355087
Energy: 1.6140949881835887
Energy: 1.5203684590375761
Energy: 1.5460101644865156
Energy: 1.4717463541250964
Energy: 1.7415888888689415
Energy: 1.4717463541271636
Energy: 1.4668794893886328
Energy: 1.526690703733461
Energy: 1.7428240870600167
Energy: 1.5266907037344946
Energy: 1.4714423338875957
Energy: 1.4676745740961794
Energy: 1.6259084683346525
Energy: 1.4676745740961794
Energy: 1.854669608114176
Energy: 1.6275307705452697
Energy: 1.8007060912066002
Energy: 1.6275307705463034
Energy: 1.6989126315877876
Energy: 1.4682023397617752
Energy: 1.4673980760271068
Energy: 1.468202339762809
Energy: 1.468237711338614
Energy: 1.4680901917903848
Energy: 1.4687882358353932
Energy: 1.4680901917914186
Energy: 1.8602245637851136
Energy: 1.7587424484226744
Energy: 1.9259443465580195
Energy: 1.7587424484206067
Energy: 1.4950958535991075
Energy: 1.4695078610517947
Energy: 1.476130579547452
Energy: 1.469507861050761
Energy: 1.7418815969490695
Energy: 1.4697066177964697
Energy: 1.4678484622113535
Energy: 1.4697066177985372
Energy: 1.6773583613091414
Energy: 1.4692390728933635
Energy: 1.4668550716865623
Energy: 1.46923907289233
Energy: 1.7119135325847057
Energy: 1.4677219903324312
Energy: 1.466422912515894
Energy: 1.4677219903334648
Energy: 1.632012260539124
Energy: 1.5435518736793332
Energy: 1.4886666760674598
Energy: 1.5435518736803668
Energy: 1.6288351218588677
Energy: 1.5781467157723987
Energy: 1.4912836877242739
Energy: 1.5781467157692974
Energy: 1.6279348390872967
Energy: 1.5878637190081457
Energy: 1.4889273697115832
Energy: 1.5878637190122802
Energy: 1.476666240405352
Energy: 1.4641610203719078
Energy: 1.496912927602043
Energy: 1.4641610203698403
Energy: 1.5713804909515168
Energy: 1.6001353600589578
Energy: 1.8623852073525031
Energy: 1.6001353600641266
Energy: 1.46540500979677
Energy: 1.463021433140422
Energy: 1.6165646553329167
Energy: 1.4630214331424898
Energy: 1.4676723791899462
Energy: 1.587572467415038
Energy: 1.4892253886957216
Energy: 1.5875724674140044

minimum gb energy = 1.4605172058815945 eV
minimum distance =  2.30799915256975 Angstroms
sigma value = 89


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

Energy: 2.5257309864406983
Energy: 1.4168896155395456
Energy: 1.8250932097632002
Energy: 1.4429820196589174
Energy: 1.4017761241019606
Energy: 1.4344434205271108
Energy: 1.438991802313816
Energy: 1.4344434205273875
Energy: 1.4354025418568126
Energy: 1.4879641716615224
Energy: 1.5432055005874177
Energy: 1.4879641716612768
Energy: 1.4317060169092914
Energy: 1.4854888249857918
Energy: 1.5423306449511158
Energy: 1.485488824985515
Energy: 1.426472068075493
Energy: 1.432509824095272
Energy: 1.5089156499221428
Energy: 1.4325098240963474
Energy: 1.5076974516106594
Energy: 1.529500546045404
Energy: 1.4938574372167146
Energy: 1.5295005460459572
Energy: 1.507426251692508
Energy: 1.5236587530314833
Energy: 1.5106903185986456
Energy: 1.5236587530312065
Energy: 1.5751784590519502
Energy: 1.5362275540298311
Energy: 1.5036936108748553
Energy: 1.5362275540306303
Energy: 1.5024156579885857
Energy: 1.4344835420005027
Energy: 1.4295182862875484
Energy: 1.4344835419997037
Energy: 1.5059954610997062
Energy: 1.4942499068230348
Energy: 1.426081437232995
Energy: 1.4942499068224813
Energy: 1.443851369321442
Energy: 1.4338503354368093
Energy: 1.4381054764501746
Energy: 1.4338503354368093
Energy: 1.4314648128891636
Energy: 1.4862728537782945
Energy: 1.6995434815354016
Energy: 1.486272853778018
Energy: 1.4305334260466853
Energy: 1.4906191095425247
Energy: 1.6990461560195758
Energy: 1.4906191095430472
Energy: 1.436562974703636
Energy: 1.5615005887027478
Energy: 1.437678365741283
Energy: 1.5615005887030244
Energy: 1.4065567836533879
Energy: 1.4306419386464313
Energy: 1.4285077962232127
Energy: 1.4306419386461549

minimum gb energy = 1.4017761241019606 eV
minimum distance =  2.36495666393541 Angstroms
sigma value = 13


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

Energy: 1.6225626872093768
Energy: 1.3936425171875224
Energy: 1.7735481867083358
Energy: 1.7744021998634438
Energy: 1.3634673054632773
Energy: 1.4254259550947583
Energy: 1.3851419419615545
Energy: 1.4254259550936248
Energy: 1.3893075982971879
Energy: 1.4209965833765354
Energy: 1.5466818404972933
Energy: 1.420996583377669
Energy: 1.3842004480319663
Energy: 1.4189964106577482
Energy: 1.544608192938806
Energy: 1.4189964106577482
Energy: 1.45870091338116
Energy: 1.5080958658224835
Energy: 1.50727090785924
Energy: 1.50809586582135
Energy: 1.4982814306976673
Energy: 1.4345388832156944
Energy: 1.4018554864816009
Energy: 1.4345388832156944
Energy: 1.4998991550511243
Energy: 1.431362913153115
Energy: 1.435748419783275
Energy: 1.431362913151981
Energy: 1.4399818523535517
Energy: 1.4181257714119042
Energy: 1.4095355927731252
Energy: 1.4181257714107707
Energy: 1.5009431433825575
Energy: 1.4355512647854909
Energy: 1.4077443148924742
Energy: 1.4355512647843571
Energy: 1.5006842223349923
Energy: 1.4382259673590536
Energy: 1.4062151702234722
Energy: 1.4382259673590536
Energy: 1.500823349347189
Energy: 1.4403090790702384
Energy: 1.4086278635518845
Energy: 1.4403090790702384
Energy: 1.3850951349700527
Energy: 1.4193032439932212
Energy: 1.4697330888833897
Energy: 1.4193032439932212
Energy: 1.389852351076665
Energy: 1.4182128276350152
Energy: 1.4758429401817972
Energy: 1.4182128276338815
Energy: 1.3944403275856576
Energy: 1.421585655706042
Energy: 1.4729972354139829
Energy: 1.421585655706042
Energy: 1.455115960941336
Energy: 1.38205919019536
Energy: 1.3822503583296266
Energy: 1.3820591901942263
Energy: 1.4574446306790174
Energy: 1.3863968118397263
Energy: 1.3959967909327105
Energy: 1.3863968118385928
Energy: 1.3952041158165704
Energy: 1.4207446939344321
Energy: 1.3965076418871774
Energy: 1.4207446939355657
Energy: 1.3853598342434188
Energy: 1.4271166359843077
Energy: 1.537438214321658
Energy: 1.427116635983174
Energy: 1.3863304462862958
Energy: 1.3839174236681584
Energy: 1.3647275301682895
Energy: 1.383917423669292
Energy: 1.4696804625792739
Energy: 1.4258580629496271
Energy: 1.391967877874694
Energy: 1.4258580629496271
Energy: 1.628810012711926
Energy: 1.421932699250898
Energy: 1.3820658088982474
Energy: 1.421932699250898
Energy: 1.4688863464361563
Energy: 1.5039651380085304
Energy: 1.3858672182542122
Energy: 1.5039651380085304
Energy: 1.4055886570729568
Energy: 1.4366453088188904
Energy: 1.49711792088154
Energy: 1.4366453088200242
Energy: 1.4081859938115622
Energy: 1.432305795285648
Energy: 1.431894158908077
Energy: 1.4323057952867817
Energy: 1.403816109037968
Energy: 1.4490683013307881
Energy: 1.5325673650296374
Energy: 1.4490683013296546
Energy: 1.4095955251881556
Energy: 1.440116343688639
Energy: 1.4991463525588309
Energy: 1.440116343688639
Energy: 1.4144894875831595
Energy: 1.4363719704897528
Energy: 1.5006068921455222
Energy: 1.4363719704897528
Energy: 1.4093814578513981
Energy: 1.4386736847712864
Energy: 1.5012892203931154
Energy: 1.4386736847712864
Energy: 1.4096467661584469
Energy: 1.4221012267832394
Energy: 1.3830906067871882
Energy: 1.4221012267843731
Energy: 1.4838086528332084
Energy: 1.4249892230143706
Energy: 1.3833100978009036
Energy: 1.4249892230121035
Energy: 1.4694612633106705
Energy: 1.430623088849685
Energy: 1.3952859938731064
Energy: 1.430623088849685
Energy: 1.381936132188297
Energy: 1.3851932963227067
Energy: 1.4549488483542352
Energy: 1.3851932963227067
Energy: 1.390917728934047
Energy: 1.3814682636519087
Energy: 1.454965919330666
Energy: 1.3814682636519087
Energy: 1.3963856424805494
Energy: 1.5057374755746447
Energy: 1.3941574683329783
Energy: 1.5057374755735111
Energy: 1.3620823898481271
Energy: 1.4334626037095521
Energy: 1.3908904568714777
Energy: 1.4334626037084184

minimum gb energy = 1.3620823898481271 eV
minimum distance =  2.33247918347254 Angstroms
sigma value = 37


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

Energy: 1.6106887350498835
Energy: 1.3486967937200967
Energy: 1.688088515128866
Energy: 1.688519976599944
Energy: 1.322148940595728
Energy: 1.462748917485243
Energy: 1.3426427434607737
Energy: 1.4627489174846446
Energy: 1.3490994451484033
Energy: 1.368255013549054
Energy: 1.5120575128285656
Energy: 1.3682550135484777
Energy: 1.3466207020678216
Energy: 1.3664736456895785
Energy: 1.511718552954322
Energy: 1.3664736456888027
Energy: 1.4298298501397355
Energy: 1.4277053141206475
Energy: 1.3546268125376857
Energy: 1.4277053141212235
Energy: 1.3991297011069381
Energy: 1.3616886433563589
Energy: 1.34788220469242
Energy: 1.3616886433567579
Energy: 1.3991145462304206
Energy: 1.3588015162216673
Energy: 1.353613855182188
Energy: 1.358801516221468
Energy: 1.396100750165112
Energy: 1.3608972766802716
Energy: 1.3489156420317836
Energy: 1.3608972766796954
Energy: 1.3918247111568438
Energy: 1.3495245089749992
Energy: 1.3916456449874408
Energy: 1.3495245089747998
Energy: 1.391182199312218
Energy: 1.3498344659548096
Energy: 1.391626386225147
Energy: 1.3498344659540338
Energy: 1.3512176544176029
Energy: 1.3521924467310875
Energy: 1.4476202932361015
Energy: 1.3521924467316635
Energy: 1.3519562828980978
Energy: 1.3602721985617612
Energy: 1.4720223964617647
Energy: 1.3602721985615618
Energy: 1.3479961134089748
Energy: 1.3685811469648832
Energy: 1.470252167597968
Energy: 1.3685811469654594
Energy: 1.3537827260679647
Energy: 1.477107776413983
Energy: 1.428883553403054
Energy: 1.4771077764133849
Energy: 1.4445663423054482
Energy: 1.366238712808754
Energy: 1.3615379384078268
Energy: 1.3662387128085547
Energy: 1.3751319739424237
Energy: 1.3677686095896278
Energy: 1.3474852288979307
Energy: 1.3677686095900048
Energy: 1.4386264991527085
Energy: 1.4602971545675012
Energy: 1.3487897478132702
Energy: 1.4602971545677006
Energy: 1.3382801542681306
Energy: 1.3393895066789052
Energy: 1.4193827216209318
Energy: 1.3393895066802572
Energy: 1.348615410584298
Energy: 1.368263462764727
Energy: 1.4196292513269029
Energy: 1.3682634627653032
Energy: 1.3221489405937779
Energy: 1.366791609265375
Energy: 1.348018730086198
Energy: 1.3667916092642003

minimum gb energy = 1.3221489405937779 eV
minimum distance =  2.32390054668966 Angstroms
sigma value = 25


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

Energy: 1.5251956750064113
Energy: 1.2588267091659329
Energy: 1.5077947610313276
Energy: 1.4895670043571732
Energy: 1.2471013727365323
Energy: 1.361041239030292
Energy: 1.3569932146149473
Energy: 1.361041239030292
Energy: 1.259400036367445
Energy: 1.2633147235094917
Energy: 1.350216882331001
Energy: 1.2633147235125377
Energy: 1.2618763510384676
Energy: 1.2627605645611797
Energy: 1.3211942384191444
Energy: 1.2627605645611797
Energy: 1.258274394444953
Energy: 1.3513781690622761
Energy: 1.259215215298835
Energy: 1.3513781690607531
Energy: 1.3260375407788332
Energy: 1.2454221614173024
Energy: 1.2590990960997197
Energy: 1.2454221614173024
Energy: 1.325788016705472
Energy: 1.2446197031559325
Energy: 1.2651311108552477
Energy: 1.2446197031559325
Energy: 1.2677287172927392
Energy: 1.2999465034400273
Energy: 1.2955693754592792
Energy: 1.2999465034400273
Energy: 1.267986298093722
Energy: 1.218532370494244
Energy: 1.309078686982391
Energy: 1.218532370494244
Energy: 1.2675920173442818
Energy: 1.21992207871158
Energy: 1.2818005838193645
Energy: 1.21992207871158
Energy: 1.2442250310986884
Energy: 1.272650403909178
Energy: 1.3234876255003227
Energy: 1.272650403910701
Energy: 1.2793829618798085
Energy: 1.2149165016119774
Energy: 1.2790010330350692
Energy: 1.2149165016119774
Energy: 1.2782930246971493
Energy: 1.2113793591645345
Energy: 1.2790174384564161
Energy: 1.2113793591645345
Energy: 1.325406676960145
Energy: 1.2579126909278375
Energy: 1.2430899299462081
Energy: 1.2579126909278375
Energy: 1.3106022390354641
Energy: 1.2180960421313292
Energy: 1.2673703958926101
Energy: 1.2180960421313292
Energy: 1.3103496116400222
Energy: 1.2182590675321487
Energy: 1.2649570920991564
Energy: 1.2182590675321487
Energy: 1.2549766713802968
Energy: 1.252689041349352
Energy: 1.2679009109713564
Energy: 1.252689041349352
Energy: 1.2647642289341388
Energy: 1.244426439856622
Energy: 1.2980088908060465
Energy: 1.2444264398581448
Energy: 1.2589618112447079
Energy: 1.2491704723332147
Energy: 1.3871916715928656
Energy: 1.2491704723332147
Energy: 1.2596625652289855
Energy: 1.3614033381101318
Energy: 1.3482611939693008
Energy: 1.3614033381101318
Energy: 1.3783286929729222
Energy: 1.2656294608182743
Energy: 1.2582414862822555
Energy: 1.2656294608182743
Energy: 1.2585714746760568
Energy: 1.2614285640207903
Energy: 1.2585380966437876
Energy: 1.261428564019267
Energy: 1.3533868979820625
Energy: 1.359856462009348
Energy: 1.2511307172372501
Energy: 1.359856462010871
Energy: 1.260696558822766
Energy: 1.2687467213145818
Energy: 1.3758246661817732
Energy: 1.2687467213130588
Energy: 1.2595931294511498
Energy: 1.2682478568257256
Energy: 1.260738079855064
Energy: 1.2682478568257256
Energy: 1.3453322397821077
Energy: 1.2647345168846018
Energy: 1.2585872700113785
Energy: 1.264734516883079

minimum gb energy = 1.2113793591645345 eV
minimum distance =  2.32549582655352 Angstroms
sigma value = 41


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

Energy: 1.4365972755368146
Energy: 1.1675258706348712
Energy: 1.3648924897872738
Energy: 1.3637137523475584
Energy: 1.1747247544675143
Energy: 1.2650272309199802
Energy: 1.2740587310190186
Energy: 1.2650272309199802
Energy: 1.1704614652427305
Energy: 1.1767688101507414
Energy: 1.2687152839952642
Energy: 1.1767688101507414
Energy: 1.1772612133841163
Energy: 1.1754572857739072
Energy: 1.261459127496329
Energy: 1.1754572857726586
Energy: 1.182990279846053
Energy: 1.2320325073937057
Energy: 1.1806312399861214
Energy: 1.2320325073949543
Energy: 1.261322366129155
Energy: 1.1576501229354752
Energy: 1.1815112069410325
Energy: 1.1576501229354752
Energy: 1.262229723632843
Energy: 1.1565333246329363
Energy: 1.1825924171784732
Energy: 1.1565333246304392
Energy: 1.1880041242451163
Energy: 1.2394520524531287
Energy: 1.2295967323130406
Energy: 1.2394520524531287
Energy: 1.1874401068822897
Energy: 1.1280577963202223
Energy: 1.2090492615416184
Energy: 1.1280577963189735
Energy: 1.1898152751726665
Energy: 1.128556519082931
Energy: 1.2089443421859238
Energy: 1.128556519082931
Energy: 1.1894691669306374
Energy: 1.108463779769255
Energy: 1.2257723465945654
Energy: 1.108463779769255
Energy: 1.2018739462987718
Energy: 1.1126005032775526
Energy: 1.1879789674149825
Energy: 1.1126005032788011
Energy: 1.1958531273048643
Energy: 1.1106453612286715
Energy: 1.1455412968757717
Energy: 1.1106453612299203
Energy: 1.251450649014761
Energy: 1.101259491148253
Energy: 1.1494455919511415
Energy: 1.1012594911495015
Energy: 1.1884263308003977
Energy: 1.1028317164897767
Energy: 1.1894120671185453
Energy: 1.1028317164897767
Energy: 1.1456605744180974
Energy: 1.108532654438197
Energy: 1.2248739055663826
Energy: 1.108532654438197
Energy: 1.1494171435179743
Energy: 1.108693103347445
Energy: 1.2291397255439263
Energy: 1.108693103346253
Energy: 1.187955981291
Energy: 1.1075545522088033
Energy: 1.201657969442152
Energy: 1.1075545522088033
Energy: 1.1861843440597974
Energy: 1.1136892080224219
Energy: 1.1691234439746054
Energy: 1.1136892080211733
Energy: 1.187020373341342
Energy: 1.130525219764017
Energy: 1.1720753501802148
Energy: 1.130525219764017
Energy: 1.2405418392811323
Energy: 1.1271849558413658
Energy: 1.1893888997839615
Energy: 1.127184955843863
Energy: 1.2390195761116622
Energy: 1.1304520012327486
Energy: 1.1890408131479349
Energy: 1.1304520012315
Energy: 1.178885953116929
Energy: 1.1597077386197372
Energy: 1.1900489017165639
Energy: 1.1597077386172399
Energy: 1.1775964200544955
Energy: 1.1587345985715218
Energy: 1.2353776318381577
Energy: 1.1587345985715218
Energy: 1.179690220694542
Energy: 1.1670026263285722
Energy: 1.3118644677981188
Energy: 1.1670026263298208
Energy: 1.2695435192042501
Energy: 1.2676136457492386
Energy: 1.172892147755402
Energy: 1.2676136457479898
Energy: 1.309186232375654
Energy: 1.1760007250926814
Energy: 1.174230174518825
Energy: 1.1760007250889355
Energy: 1.1798112450694787
Energy: 1.2671061376005301
Energy: 1.1743515697144995
Energy: 1.2671061376017787
Energy: 1.1771248560345036
Energy: 1.1796997712269823
Energy: 1.3077066078092832
Energy: 1.1796997712294797
Energy: 1.1767529895286566
Energy: 1.1876640069262785
Energy: 1.2268024392528682
Energy: 1.1876640069250297
Energy: 1.1749948453761658
Energy: 1.1752906516260704
Energy: 1.1743613420784416
Energy: 1.1752906516260704
Energy: 1.3567485020957615
Energy: 1.1792301453358305
Energy: 1.1725116137597265
Energy: 1.1792301453358305

minimum gb energy = 1.101259491148253 eV
minimum distance =  2.34126743719646 Angstroms
sigma value = 15


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

Energy: 1.206696804478052
Energy: 1.090310047736047
Energy: 1.2548046281117695
Energy: 1.251732930128529
Energy: 1.098633446241517
Energy: 1.1090637062349846
Energy: 1.102991023761153
Energy: 1.1090637062349846
Energy: 1.106048576715613
Energy: 1.0995595738304682
Energy: 1.1060257437062033
Energy: 1.0995595738378727
Energy: 1.1040103196732642
Energy: 1.1029609157108426
Energy: 1.1004420663856802
Energy: 1.1029609157108426
Energy: 1.1606836958347855
Energy: 1.158300129958365
Energy: 1.10465800386629
Energy: 1.1583001299573072
Energy: 1.163584023565836
Energy: 1.085487007854337
Energy: 1.1072885241572705
Energy: 1.0854870078553949
Energy: 1.150813760192004
Energy: 1.0840776786548978
Energy: 1.1059291752458624
Energy: 1.0840776786570134
Energy: 1.1181198770948135
Energy: 1.1803580621916994
Energy: 1.171445488399647
Energy: 1.1803580621916994
Energy: 1.1158631335028677
Energy: 1.057589730415869
Energy: 1.1511809991379036
Energy: 1.0575897304179847
Energy: 1.112090512859351
Energy: 1.0567493662332166
Energy: 1.1129360155440025
Energy: 1.0567493662342744
Energy: 1.1326486573398713
Energy: 1.0410892573148012
Energy: 1.1302538851890287
Energy: 1.0410892573105703
Energy: 1.1101260902198553
Energy: 1.0388335709700829
Energy: 1.1268356871363983
Energy: 1.038833570969025
Energy: 1.1357789884461726
Energy: 1.0355104702267057
Energy: 1.0855787794722398
Energy: 1.0355104702267057
Energy: 1.1370001938692784
Energy: 1.0228920259438936
Energy: 1.0919950573469719
Energy: 1.0228920259407204
Energy: 1.1162126451527312
Energy: 1.0237762487313022
Energy: 1.1225693519722377
Energy: 1.0237762487334177
Energy: 1.0811125482009747
Energy: 1.0264446847471893
Energy: 1.136608832929016
Energy: 1.0264446847471893
Energy: 1.079095000840724
Energy: 1.0302603588999224
Energy: 1.1563369668827146
Energy: 1.0302603589041535
Energy: 1.1162810912215613
Energy: 1.0182349765140541
Energy: 1.1157909797623502
Energy: 1.0182349765161698
Energy: 1.1384125989862202
Energy: 1.0279329840998668
Energy: 1.0802289276588009
Energy: 1.0279329840988092
Energy: 1.1583126706798457
Energy: 1.0289098220722923
Energy: 1.0797235925462434
Energy: 1.0289098220712347
Energy: 1.1220459020595024
Energy: 1.023217412946056
Energy: 1.1164553002560287
Energy: 1.0232174129449985
Energy: 1.0937933103712454
Energy: 1.0271652627826635
Energy: 1.1357806956921326
Energy: 1.02716526277949
Energy: 1.0942015030276764
Energy: 1.0374456211593346
Energy: 1.114769456796863
Energy: 1.03744562116145
Energy: 1.1271432190972746
Energy: 1.038146234758327
Energy: 1.1407729812905687
Energy: 1.038146234758327
Energy: 1.1478675452331402
Energy: 1.039340798380539
Energy: 1.1193875387895282
Energy: 1.039340798380539
Energy: 1.1254594577593968
Energy: 1.055912868780747
Energy: 1.1232550562994021
Energy: 1.0559128687796893
Energy: 1.1376944421302788
Energy: 1.0571351030998943
Energy: 1.1157522431122182
Energy: 1.0571351030988365
Energy: 1.1849759852390491
Energy: 1.0587216464013693
Energy: 1.1167324418261542
Energy: 1.0587216464003115
Energy: 1.1041815422516088
Energy: 1.0848644594500074
Energy: 1.1586074099467472
Energy: 1.084864459452123
Energy: 1.1079113103024398
Energy: 1.0852512596358765
Energy: 1.1748747574334308
Energy: 1.0852512596369344
Energy: 1.1052451111579435
Energy: 1.1597265578149452
Energy: 1.1547056727191305
Energy: 1.1597265578138871
Energy: 1.1280476149537522
Energy: 1.1019958836084853
Energy: 1.1042383973717627
Energy: 1.1019958836084853
Energy: 1.1549468789740729
Energy: 1.099141908253257
Energy: 1.1045355662278065
Energy: 1.0991419082479679
Energy: 1.103089789154007
Energy: 1.1139014817861899
Energy: 1.0960539628040695
Energy: 1.1139014817840744
Energy: 1.2584592485522783
Energy: 1.1056679520490102
Energy: 1.0927539068637033
Energy: 1.1056679520532413
Energy: 1.0948256311309006
Energy: 1.190411856413211
Energy: 1.1029161779997911
Energy: 1.190411856414269
Energy: 1.0948710457484632
Energy: 1.101059621460595
Energy: 1.0949364142956042
Energy: 1.1010596214574215

minimum gb energy = 1.0182349765140541 eV
minimum distance =  2.34431097074483 Angstroms
sigma value = 85


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

Energy: 1.0002161423970986
Energy: 0.9513032544896435
Energy: 1.0876846031124887
Energy: 1.0927004117388637
Energy: 0.9613428094799439
Energy: 0.9867443202994026
Energy: 0.9896097294769998
Energy: 0.9867443202984852
Energy: 0.9693409646379069
Energy: 0.9870034544702668
Energy: 1.0364775978128349
Energy: 0.9870034544702668
Energy: 0.9745215151983989
Energy: 0.9717816293575761
Energy: 1.0003394863840402
Energy: 0.9717816293575761
Energy: 1.0474937728732037
Energy: 1.030184646897633
Energy: 0.9880789446103069
Energy: 1.0301846468985503
Energy: 1.0418877249445064
Energy: 0.963170622726465
Energy: 0.9891173518340827
Energy: 0.9631706227255477
Energy: 1.0040315149883103
Energy: 0.9643536037144025
Energy: 0.9908368887807645
Energy: 0.9643536037116504
Energy: 1.0147653465193804
Energy: 1.0781382200107417
Energy: 1.044891932510197
Energy: 1.0781382200107417
Energy: 1.0159714966668383
Energy: 0.9545693717334884
Energy: 1.0566315741604666
Energy: 0.9545693717334884
Energy: 1.013738739064525
Energy: 0.9529977753977419
Energy: 1.0546458279473419
Energy: 0.9529977753968246
Energy: 1.0460799883940146
Energy: 0.9479000069254035
Energy: 1.0356490167533525
Energy: 0.9479000069244862
Energy: 1.0539105666292754
Energy: 0.9474891420050142
Energy: 1.0364115195222197
Energy: 0.9474891420040968
Energy: 1.0571014041759166
Energy: 0.9460737344668413
Energy: 1.022081670364722
Energy: 0.9460737344668413
Energy: 1.0474251597093605
Energy: 0.9399550459322776
Energy: 1.0179092566139587
Energy: 0.9399550459313601
Energy: 1.0450076328276412
Energy: 0.9408688351809178
Energy: 1.0279760582009811
Energy: 0.9408688351818352
Energy: 1.0078634949122176
Energy: 0.9411827021317476
Energy: 1.0605404779014596
Energy: 0.941182702132665
Energy: 1.0075221292220653
Energy: 0.9371875099078627
Energy: 1.0542645348126782
Energy: 0.9371875099069453
Energy: 1.048356427483357
Energy: 0.9371781778027148
Energy: 1.0457085042467216
Energy: 0.9371781778036322
Energy: 1.0653599064643506
Energy: 0.9370870506765654
Energy: 1.0029684964739727
Energy: 0.937087050675648
Energy: 1.0644345848689665
Energy: 0.935814122229241
Energy: 1.002360313688127
Energy: 0.9358141222283237
Energy: 1.0255651889406048
Energy: 0.9375511841036217
Energy: 1.0018158728305377
Energy: 0.9375511841036217
Energy: 1.0027885920350523
Energy: 0.9367268654089607
Energy: 1.06450492496179
Energy: 0.9367268654098779
Energy: 1.0021918820586317
Energy: 0.9371924496048372
Energy: 1.0651607882796943
Energy: 0.9371924496048372
Energy: 1.0453887653860097
Energy: 0.9365639613667462
Energy: 1.031268669066073
Energy: 0.9365639613676636
Energy: 1.055015269575275
Energy: 0.9375990776621015
Energy: 1.0086117029973474
Energy: 0.9375990776621015
Energy: 1.060766974061792
Energy: 0.9400466235747038
Energy: 1.0066440816807816
Energy: 0.9400466235737864
Energy: 1.0564775510810214
Energy: 0.9414312012819772
Energy: 1.0445600575751657
Energy: 0.9414312012819772
Energy: 1.0200673269007758
Energy: 0.9410388624606226
Energy: 1.051235694647414
Energy: 0.9410388624587878
Energy: 1.0360225666090734
Energy: 0.9478695808370601
Energy: 1.0568933212508318
Energy: 0.9478695808370601
Energy: 1.035496863239243
Energy: 0.9458372537679465
Energy: 1.0677884334774874
Energy: 0.9458372537651943
Energy: 1.041594026836437
Energy: 1.0167126722064836
Energy: 1.0292138482634114
Energy: 1.0167126722074011
Energy: 1.0361418255031272
Energy: 0.9537760375839904
Energy: 1.014220368611186
Energy: 0.953776037583073
Energy: 1.0825929745379916
Energy: 0.9536512172066653
Energy: 1.0125311605099283
Energy: 0.9536512172048306
Energy: 1.078541383876524
Energy: 1.0295698597089724
Energy: 1.0125052743694885
Energy: 1.02956985970989
Energy: 0.9902062456057977
Energy: 0.9641652328685677
Energy: 1.0075047992405701
Energy: 0.9641652328685677
Energy: 0.9888790208575495
Energy: 0.9635919510265704
Energy: 1.02951524686191
Energy: 0.9635919510265704
Energy: 0.9954791731477737
Energy: 1.044872245529803
Energy: 1.0447089855485294
Energy: 1.0448722455288855
Energy: 0.9720275752991575
Energy: 0.9717772762194125
Energy: 0.9680255840050382
Energy: 0.9717772762194125
Energy: 0.9891189323814817
Energy: 0.9661163692293031
Energy: 0.9695607392767785
Energy: 0.9661163692293031
Energy: 0.9889140766880482
Energy: 0.9637359846168331
Energy: 0.9664200118143375
Energy: 0.9637359846159156
Energy: 0.9677162219768493
Energy: 0.97339033589641
Energy: 0.9773551191067452
Energy: 0.97339033589641
Energy: 0.9693261710080642
Energy: 0.9879043758651179
Energy: 0.9692396968999567
Energy: 0.9879043758669527
Energy: 1.0146760348269592
Energy: 0.9710787296844683
Energy: 0.9703828603881843
Energy: 0.9710787296853857

minimum gb energy = 0.9358141222283237 eV
minimum distance =  2.32363715789985 Angstroms
sigma value = 113


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

Energy: 0.014851486926080388
Energy: 0.015030854496131913
Energy: 0.9266281991393631
Energy: 0.14464538143653147
Energy: 0.01653038170716677
Energy: 0.18788698865772127
Energy: 0.1495064640282448
Energy: 0.1884375982365731
Energy: 0.19491607623720472
Energy: 0.21509645969085112
Energy: 0.016918227745191857
Energy: 0.2151603890971494
Energy: 0.1930170435465295
Energy: 0.16626336348688414
Energy: 0.017293692163394297
Energy: 0.1488229924358756
Energy: 0.17231262943995496
Energy: 0.17337284572678902
Energy: 0.1615986542010599
Energy: 0.17806098672200557
Energy: 0.01702151106717504
Energy: 0.15943148902332266
Energy: 0.16376008138951736
Energy: 0.14922949958963594

minimum gb energy = 0.014851486926080388 eV
minimum distance =  2.45800793267691 Angstroms
sigma value = 1