Model name: model_name=EAM_Dynamo_AcklandTichyVitek_1987_Ni__MO_977363131043_005
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=3.52422046661377
cohesive_energy=4.459348122686658
mass=58.6934
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=[1.94996111594238e-19, 3.49620576364944e-19, 4.4303388283368e-19, 5.01918680663082e-19, 5.3844350138838e-19, 5.61745558353276e-19, 5.786885762578259e-19, 5.92297464587022e-19, 6.04831292394804e-19, 6.1744683121092e-19, 6.29955024192558e-19, 6.42030629483016e-19, 6.534909989460179e-19, 6.64219173687282e-19, 6.740405164537019e-19, 6.828284552911919e-19, 6.905189031343919e-19, 6.97094236040328e-19, 7.025624648921699e-19, 7.0694441798616e-19, 7.102785475615139e-19, 7.12604908034082e-19, 7.139667581729819e-19, 7.144105611005999e-19, 7.138946602244519e-19, 7.120825984513979e-19, 7.085305728538199e-19, 7.029421807544279e-19, 6.95245324204692e-19, 6.853823248457879e-19, 6.732987086721599e-19, 6.58946410384788e-19, 6.4228857992109e-19, 6.232819585119479e-19, 6.01878480858342e-19, 5.78046103427592e-19, 5.516117911432259e-19, 5.21827327517166e-19, 4.87641684677508e-19, 4.4733572709597e-19, 3.9853022247106196e-19, 3.39539680983816e-19, 2.6836138184173197e-19, 1.81451310330402e-19, 7.370893713548699e-20, -6.5444910057315e-20, -2.5368864822755995e-19, -5.03078656546098e-19, -8.143959961220039e-19, -1.194621350549616e-18, -1.7046358297443e-18, -2.46850558353648e-18, -3.62950685959824e-18, -5.7203313452019e-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: 0.018095179923456186
Energy: 0.16464028650754495
Energy: 0.6580841452598063
Energy: 0.16464028650754495
Energy: 0.16464028650754495
Energy: 0.7777332410114707
Energy: 0.16464028650754495
Energy: 0.7777332408805449
Energy: 0.6580841452604296
Energy: 0.16464028650754495
Energy: 0.018095179923456186
Energy: 0.16464028650754495
Energy: 0.16464028650754495
Energy: 0.7777332410714524
Energy: 0.16464028650754495
Energy: 0.7777332411043764

minimum gb energy = 0.018095179923456186 eV
minimum distance =  2.42734780371861 Angstroms
sigma value = 1


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

Energy: 1.4674081868833817
Energy: 1.200331654969724
Energy: 1.2083993846413568
Energy: 1.2003316549689238
Energy: 1.0909017474748208
Energy: 1.0810701630010242
Energy: 1.0883815643030086
Energy: 1.0810701630002237
Energy: 1.206966190147532
Energy: 1.2001450924576749
Energy: 1.3082144526615183
Energy: 1.2001450924568742
Energy: 1.0845656508341193
Energy: 1.0826762022030048
Energy: 1.0890098585990657
Energy: 1.0826762022030048
Energy: 1.3733113548419484
Energy: 1.0812588183988034
Energy: 1.093060801365395
Energy: 1.0812588183988034
Energy: 1.1445005683310847
Energy: 1.1473464605645012
Energy: 1.0889715347499507
Energy: 1.1473464605653014
Energy: 1.1143359065425253
Energy: 1.1680631754773119
Energy: 1.3746241235557313
Energy: 1.1680631754765118
Energy: 1.1432635488999405
Energy: 1.371174943460645
Energy: 1.198472888693986
Energy: 1.371174943460645
Energy: 1.2117786142326903
Energy: 1.3241477650301605
Energy: 1.1327116070828043
Energy: 1.324147765030961
Energy: 1.1950914992591204
Energy: 1.3370476659015396
Energy: 1.191848228825703
Energy: 1.3370476658999388
Energy: 1.275012481884415
Energy: 1.3254352226148585
Energy: 1.210414233958507
Energy: 1.325435222613258
Energy: 1.1433821265386868
Energy: 1.3691965723828872
Energy: 1.190504273635875
Energy: 1.3691965723828872
Energy: 1.1153889632085627
Energy: 1.1125009046243137
Energy: 1.461440723460728
Energy: 1.1125009046259144
Energy: 1.146038630575941
Energy: 1.1655446141709227
Energy: 1.1413997867565644
Energy: 1.1655446141709227
Energy: 1.460994568567969
Energy: 1.0815035451598356
Energy: 1.0890823292138634
Energy: 1.0815035451598356
Energy: 1.1453519212865944
Energy: 1.0822404419752107
Energy: 1.0858808472949673
Energy: 1.0822404419760112
Energy: 1.2069208570370977
Energy: 1.0833402223100268
Energy: 1.0786148662786634
Energy: 1.0833402223092266
Energy: 1.0892080159118267
Energy: 1.0816431065624246
Energy: 1.0780382391376508
Energy: 1.081643106561624
Energy: 1.0893793668065008
Energy: 1.2006956066269234
Energy: 1.2057954935131192
Energy: 1.2006956066261232
Energy: 1.1441765840250713
Energy: 1.0818160752473234
Energy: 1.0846828432969429
Energy: 1.081816075248924
Energy: 1.0878062435942892
Energy: 1.0809898691081483
Energy: 1.3751054015034632
Energy: 1.0809898691081483
Energy: 1.0890950041565157
Energy: 1.0801243574702648
Energy: 1.1454541238240457
Energy: 1.0801243574694643
Energy: 1.3760343108933606
Energy: 1.163882004568031
Energy: 1.1134228481084807
Energy: 1.1638820045688316
Energy: 1.193527615686857
Energy: 1.145851714360949
Energy: 1.146013105839183
Energy: 1.145851714360949
Energy: 1.1315903416134783
Energy: 1.2963184089862743
Energy: 1.2125597361239198
Energy: 1.2963184089846735
Energy: 1.1984381700699072
Energy: 1.3400206773745804
Energy: 1.1963520018781808
Energy: 1.3400206773729797
Energy: 1.2115885230600423
Energy: 1.3237717908270576
Energy: 1.0998714431926098
Energy: 1.3237717908270576
Energy: 1.1970688321396898
Energy: 1.370130698507243
Energy: 1.112073369628853
Energy: 1.3701306985080435
Energy: 1.1399560884985467
Energy: 1.1135252668594675
Energy: 1.1115001599526029
Energy: 1.1135252668586673
Energy: 1.149021884215037
Energy: 1.1123883327016162
Energy: 1.1443659540862088
Energy: 1.1123883327016162
Energy: 1.0873205680095408
Energy: 1.0875710417078999
Energy: 1.0863110965749008
Energy: 1.0875710417087001
Energy: 1.0885668714449077
Energy: 1.0928936103888145
Energy: 1.1371382346959218
Energy: 1.0928936103888145
Energy: 1.1355908156968288
Energy: 1.083845442212811
Energy: 1.2073942908956499
Energy: 1.0838454422120107

minimum gb energy = 1.0780382391376508 eV
minimum distance =  2.21109751925513 Angstroms
sigma value = 1


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

Energy: 1.3840593315500636
Energy: 1.2538740204710344
Energy: 1.254904444466374
Energy: 1.2538740204755972
Energy: 1.1236576731278398
Energy: 1.2882387350844808
Energy: 1.1240139738896973
Energy: 1.288238735086306
Energy: 1.252014131152485
Energy: 1.2534450164429827
Energy: 1.3332302971720449
Energy: 1.2534450164347697
Energy: 1.1293195109173144
Energy: 1.28900465605826
Energy: 1.126258145167461
Energy: 1.2890046560546096
Energy: 1.1716257159799983
Energy: 1.1241481712655996
Energy: 1.1246709643017938
Energy: 1.1241481712610368
Energy: 1.1899526732547803
Energy: 1.2162198440293839
Energy: 1.1241810437508137
Energy: 1.2162198440312089
Energy: 1.1680155580267266
Energy: 1.222274926725836
Energy: 1.3049051305482662
Energy: 1.2222749267203605
Energy: 1.1953106444756076
Energy: 1.3729409906692889
Energy: 1.267047784426609
Energy: 1.3729409906738517
Energy: 1.3037287068501628
Energy: 1.358051098105923
Energy: 1.2113834149636198
Energy: 1.358051098107748
Energy: 1.2663191268168037
Energy: 1.3735642642660837
Energy: 1.1936727338637125
Energy: 1.3735642642715589
Energy: 1.3916049842219345
Energy: 1.2256109383745089
Energy: 1.1663827666054332
Energy: 1.225610938379984
Energy: 1.1350997229460698
Energy: 1.2165540404623276
Energy: 1.1940211634172195
Energy: 1.216554040467803
Energy: 1.123240204791522
Energy: 1.1229634295059034
Energy: 1.3980312245384885
Energy: 1.1229634295059034
Energy: 1.1247854169223892
Energy: 1.1198471654413276
Energy: 1.1870828375685758
Energy: 1.1198471654312896
Energy: 1.1122909841374784
Energy: 1.1234948300454772
Energy: 1.2527048997918717
Energy: 1.1234948300518652
Energy: 1.1189276857808637
Energy: 1.1233207223127795
Energy: 1.1253188794585296
Energy: 1.1233207223063915
Energy: 1.2557883922057933
Energy: 1.2537417065923555
Energy: 1.332790933059938
Energy: 1.2537417065978311
Energy: 1.1286780433289756
Energy: 1.1173183642699114
Energy: 1.1930383543378569
Energy: 1.1173183642717364
Energy: 1.1382757010122453
Energy: 1.1243712690654633
Energy: 1.124425361514851
Energy: 1.1243712690718513
Energy: 1.1249848766914008
Energy: 1.1243250856233808
Energy: 1.126286515437659
Energy: 1.1243250856233808
Energy: 1.2190088528100895
Energy: 1.2192558490710417
Energy: 1.306187663851742
Energy: 1.2192558490746919
Energy: 1.1912860951577489
Energy: 1.3766484560043137
Energy: 1.2665916659922936
Energy: 1.3766484560052261
Energy: 1.303782553082489
Energy: 1.35611125652599
Energy: 1.237719121714798
Energy: 1.3561112565241649
Energy: 1.1817408951414328
Energy: 1.3761170671303278
Energy: 1.1989477490825615
Energy: 1.3761170671294152
Energy: 1.1477946186286314
Energy: 1.2640327608553357
Energy: 1.1680509232432679
Energy: 1.264032760858986
Energy: 1.1354661348895372
Energy: 1.2195555583081268
Energy: 1.1899160450603343
Energy: 1.2195555583163398
Energy: 1.1376499755922649
Energy: 1.1233203984327593
Energy: 1.1482699349377383
Energy: 1.1233203984336717
Energy: 1.1275493849516849
Energy: 1.1307930952246783
Energy: 1.1872818747182525
Energy: 1.1307930952274161
Energy: 1.1789601681014268
Energy: 1.1304886867227706
Energy: 1.254500355065553
Energy: 1.130488686728246

minimum gb energy = 1.1122909841374784 eV
minimum distance =  2.21144049429734 Angstroms
sigma value = 25


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

Energy: 1.4342349275746047
Energy: 1.3042186744647293
Energy: 1.3043361199111614
Energy: 1.3042186744647293
Energy: 1.1774473595849893
Energy: 1.3411293943268485
Energy: 1.176448108890516
Energy: 1.3411293943257876
Energy: 1.3136762098085444
Energy: 1.3027922824099016
Energy: 1.436757880001654
Energy: 1.302792282408841
Energy: 1.1835027625992947
Energy: 1.3412644996442737
Energy: 1.1762450736278842
Energy: 1.3412644996442737
Energy: 1.3233535859025605
Energy: 1.1774147691394525
Energy: 1.165573949795042
Energy: 1.1774147691405132
Energy: 1.2746873751950267
Energy: 1.1741491876313948
Energy: 1.176878619729392
Energy: 1.1741491876303343
Energy: 1.2414577356387435
Energy: 1.2933853401128497
Energy: 1.2343621258247255
Energy: 1.2933853401117887
Energy: 1.1957506767133195
Energy: 1.394508339498705
Energy: 1.257471510775801
Energy: 1.3945083394976443
Energy: 1.2373544392423277
Energy: 1.322799432251515
Energy: 1.3026023596538339
Energy: 1.322799432251515
Energy: 1.2513358361652518
Energy: 1.4669324187246842
Energy: 1.2121363204072466
Energy: 1.466932418725745
Energy: 1.1811799932343257
Energy: 1.1756664152836604
Energy: 1.1743582996823578
Energy: 1.1756664152836604
Energy: 1.1860560309680992
Energy: 1.1853520425054695
Energy: 1.1635461718612485
Energy: 1.1853520425044088
Energy: 1.3116944646052258
Energy: 1.1823228382480089
Energy: 1.147242925203769
Energy: 1.182322838246948
Energy: 1.175783259992408
Energy: 1.1764398240078255
Energy: 1.1642244281760519
Energy: 1.1764398240067644
Energy: 1.4414762520260915
Energy: 1.3139201337313307
Energy: 1.3153310780633551
Energy: 1.3139201337313307
Energy: 1.2504997022383948
Energy: 1.1843457019726136
Energy: 1.1827980482886338
Energy: 1.1843457019715529
Energy: 1.1766678912917479
Energy: 1.1783339813552343
Energy: 1.1666826656798501
Energy: 1.1783339813552343
Energy: 1.1770035799300933
Energy: 1.175728617443959
Energy: 1.2746027267356863
Energy: 1.175728617443959
Energy: 1.2358426079781506
Energy: 1.2934498981162792
Energy: 1.2873888170671608
Energy: 1.2934498981173401
Energy: 1.2588316824154424
Energy: 1.400747871483699
Energy: 1.1963135082869731
Energy: 1.4007478714847597
Energy: 1.3084739084013584
Energy: 1.3220456309298483
Energy: 1.2346843427612244
Energy: 1.3220456309287876
Energy: 1.246409857650355
Energy: 1.2854613116018574
Energy: 1.2455186961478468
Energy: 1.2854613116029183
Energy: 1.1728442148837472
Energy: 1.1746260934883577
Energy: 1.187098585487853
Energy: 1.1746260934883577
Energy: 1.1759427830791458
Energy: 1.1855007086361906
Energy: 1.2028320611701235
Energy: 1.185500708637251
Energy: 1.1723076411994113
Energy: 1.1796798441722574
Energy: 1.3139555867056927
Energy: 1.1796798441754397

minimum gb energy = 1.147242925203769 eV
minimum distance =  2.20142952051268 Angstroms
sigma value = 9


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

Energy: 1.4484181565529421
Energy: 1.3633750783785934
Energy: 1.3634023504307586
Energy: 1.363375078379859
Energy: 1.2117919868559737
Energy: 1.3764197349417664
Energy: 1.2122068085562177
Energy: 1.3764197349493594
Energy: 1.3659870223534962
Energy: 1.3642742577916906
Energy: 1.3471349663105983
Energy: 1.3642742577929563
Energy: 1.3071596145827071
Energy: 1.3789902408846733
Energy: 1.212185384692045
Energy: 1.3789902408846733
Energy: 1.3274951663157735
Energy: 1.2105532498022047
Energy: 1.2127414924423319
Energy: 1.2105532497996736
Energy: 1.3123889619134237
Energy: 1.2550703053562746
Energy: 1.2097733564334257
Energy: 1.2550703053575114
Energy: 1.2041632970750415
Energy: 1.4286099826191572
Energy: 1.2561124360871945
Energy: 1.428609982616626
Energy: 1.2540481418500877
Energy: 1.463630111945331
Energy: 1.3106910404287984
Energy: 1.4636301119465966
Energy: 1.209368225412989
Energy: 1.2109401577407362
Energy: 1.2014637527095033
Energy: 1.2109401577420016
Energy: 1.2688482581698686
Energy: 1.2241544762068548
Energy: 1.2062090079739978
Energy: 1.2241544762093857
Energy: 1.1926169837199925
Energy: 1.3147619792546636
Energy: 1.3658841587233341
Energy: 1.3147619792508671
Energy: 1.2052310987188104
Energy: 1.3153995992492427
Energy: 1.213532210084692
Energy: 1.3153995992505083
Energy: 1.3637402243988281
Energy: 1.3641990020756598
Energy: 1.3551027686337414
Energy: 1.364199002078162
Energy: 1.2155392711333532
Energy: 1.2109779494547455
Energy: 1.3796367439333885
Energy: 1.2109779494522144
Energy: 1.3283291420708714
Energy: 1.2150579508476944
Energy: 1.325592259706961
Energy: 1.215057950854022
Energy: 1.312034584269219
Energy: 1.210865488813263
Energy: 1.210475650754579
Energy: 1.210865488808201
Energy: 1.211046338563537
Energy: 1.4320172425185729
Energy: 1.2545459942628292
Energy: 1.4320172425198385
Energy: 1.2110370694286328
Energy: 1.42755099019225
Energy: 1.4092529419121778
Energy: 1.4275509901884533
Energy: 1.2089172157641033
Energy: 1.2122761402424906
Energy: 1.2024011465730942
Energy: 1.2122761402450215
Energy: 1.2730665456239771
Energy: 1.316134666172068
Energy: 1.2057453796325226
Energy: 1.316134666174599
Energy: 1.198964120683297
Energy: 1.3155337359590966
Energy: 1.368223110274741
Energy: 1.3155337359641586

minimum gb energy = 1.1926169837199925 eV
minimum distance =  2.15058548023032 Angstroms
sigma value = 25


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

Energy: 1.2695436697559244
Energy: 1.3993559614045283
Energy: 1.3964235080963565
Energy: 1.3993559614045283
Energy: 1.2257655577295414
Energy: 1.3135643748166392
Energy: 1.22541309326574
Energy: 1.3135643748182042
Energy: 1.3918797706139348
Energy: 1.3986199512641526
Energy: 1.3720628831582522
Energy: 1.3986199512657178
Energy: 1.187509092360447
Energy: 1.3134075881114526
Energy: 1.21658257379534
Energy: 1.3134075881098874
Energy: 1.2238458903324987
Energy: 1.3379601868558095
Energy: 1.2366499354526137
Energy: 1.3379601868573745
Energy: 1.1881842645114529
Energy: 1.229261766199205
Energy: 1.2146806756725246
Energy: 1.2292617661976397
Energy: 1.1826156523782623
Energy: 1.3384295053002802
Energy: 1.2256296668703746
Energy: 1.3384295053002802
Energy: 1.1847315501855413
Energy: 1.353365008766591
Energy: 1.2171071771297017
Energy: 1.353365008768156
Energy: 1.3972969138158318
Energy: 1.1893493903325496
Energy: 1.5723630240704278
Energy: 1.1893493903325496
Energy: 1.2362270553014545
Energy: 1.3506906911445473
Energy: 1.182172297282052
Energy: 1.3506906911445473
Energy: 1.3754845096458581
Energy: 1.4000766994220177
Energy: 1.3959161160372378
Energy: 1.4000766994220177
Energy: 1.381838496679518
Energy: 1.3134524791473696
Energy: 1.186674033978869
Energy: 1.3134524791504996
Energy: 1.2355720130948027
Energy: 1.3357117572119175
Energy: 1.2271850728361138
Energy: 1.3357117572119175
Energy: 1.2231957884483986
Energy: 1.334250822982988
Energy: 1.1907726997539434
Energy: 1.3342508229845529
Energy: 1.2264622367962204
Energy: 1.2258962144922703
Energy: 1.1817364542859268
Energy: 1.2258962144938352
Energy: 1.2166008675301738
Energy: 1.3484940450429437
Energy: 1.2508847390060451
Energy: 1.3484940450445086
Energy: 1.3799021429679021
Energy: 1.3489979729825814
Energy: 1.188113174509776
Energy: 1.3489979729825814

minimum gb energy = 1.1817364542859268 eV
minimum distance =  2.15561209223558 Angstroms
sigma value = 17


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

Energy: 1.8968928477990716
Energy: 1.5175140782266119
Energy: 1.5178119094042288
Energy: 1.5175140782283845
Energy: 1.2042405903392646
Energy: 1.301580321481283
Energy: 1.2982783625936227
Energy: 1.301580321483056
Energy: 1.292840097108809
Energy: 1.3009279748177935
Energy: 1.528384580120972
Energy: 1.30092797481868
Energy: 1.301727039399519
Energy: 1.3029303924465578
Energy: 1.2987311016485195
Energy: 1.3029303924492166
Energy: 1.2937535405364595
Energy: 1.356477793191837
Energy: 1.2113334750553737
Energy: 1.3564777931909506
Energy: 1.297577026660562
Energy: 1.3003852528010116
Energy: 1.3043421382623759
Energy: 1.3003852528018982
Energy: 1.3931313369297336
Energy: 1.2984477385577995
Energy: 1.2951807473000434
Energy: 1.2984477385560267
Energy: 1.5205848440981748
Energy: 1.3009849682831829
Energy: 1.2005984977098132
Energy: 1.300984968284069
Energy: 1.5129800879201245
Energy: 1.5174821565472985
Energy: 1.5249455524734636
Energy: 1.5174821565481846
Energy: 1.5224529625396284
Energy: 1.299759137194588
Energy: 1.2942208637552197
Energy: 1.2997591371954742
Energy: 1.3555734347533746
Energy: 1.2159416537709464
Energy: 1.2128471290523513
Energy: 1.21594165377006
Energy: 1.413237020453556
Energy: 1.2040207296820538
Energy: 1.1984270485354167
Energy: 1.20402072968294
Energy: 1.4135392465565344
Energy: 1.205640826788313
Energy: 1.2027490946813642
Energy: 1.2056408267865804
Energy: 1.4468073860473853
Energy: 1.3004663513940184
Energy: 1.2225201830326582
Energy: 1.3004663513949046
Energy: 1.5138404701732893
Energy: 1.3007776007413878
Energy: 1.5235847435562273
Energy: 1.3007776007440468
Energy: 1.5155158931356305
Energy: 1.3973706954745138
Energy: 1.6390557503829797
Energy: 1.397370695472741
Energy: 1.5258029965588509
Energy: 1.3004599029754793
Energy: 1.2932677811064643
Energy: 1.3004599029754793
Energy: 1.5242087915362639
Energy: 1.3002878162598641
Energy: 1.2964433864240736
Energy: 1.3002878162607505
Energy: 1.3025958648820568
Energy: 1.3992056393682748
Energy: 1.3297457469959615
Energy: 1.3992056393682748
Energy: 1.2414111670937742
Energy: 1.388329722981983
Energy: 1.3027187097010675
Energy: 1.388329722981983
Energy: 1.3020932760105508
Energy: 1.3012972485596115
Energy: 1.5203748006075
Energy: 1.3012972485596115
Energy: 1.2998209196670307
Energy: 1.3020671892729394
Energy: 1.4676995406985962
Energy: 1.302067189276485
Energy: 1.4081617312318186
Energy: 1.3714212259410958
Energy: 1.4122984164438925
Energy: 1.3714212259428684
Energy: 1.6394067461394393
Energy: 1.5179830942087265
Energy: 1.5086164014840941
Energy: 1.5179830942069943
Energy: 1.2021377995833251
Energy: 1.3020647423649352
Energy: 1.5304037013669405
Energy: 1.3020647423640486
Energy: 1.2084953443669204
Energy: 1.2052839601496677
Energy: 1.3536472692414456
Energy: 1.2052839601505538
Energy: 1.1961446164241814
Energy: 1.201324918364889
Energy: 1.413448361812296
Energy: 1.2013249183640027
Energy: 1.2334824623035963
Energy: 1.2046954249420938
Energy: 1.398994973424798
Energy: 1.2046954249438664
Energy: 1.2035452065285515
Energy: 1.3018463543512948
Energy: 1.415471874056447
Energy: 1.3018463543512948
Energy: 1.6571893334882544
Energy: 1.5167265685228524
Energy: 1.5157083137797203
Energy: 1.5167265685219662

minimum gb energy = 1.1961446164241814 eV
minimum distance =  2.13771109803358 Angstroms
sigma value = 53


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

Energy: 1.7216015862021432
Energy: 1.3667270788464816
Energy: 1.340093243623964
Energy: 1.3667270788464816
Energy: 1.339572295637748
Energy: 1.1580229147023267
Energy: 1.3791533206319817
Energy: 1.1580229147043672
Energy: 1.34095269748555
Energy: 1.366013553939548
Energy: 1.3490103388842782
Energy: 1.3660135539375078
Energy: 1.3423949400052901
Energy: 1.1604093927997117
Energy: 1.381438897046761
Energy: 1.1604093928017523
Energy: 1.3873818975822507
Energy: 1.2028593794393598
Energy: 1.037490211007555
Energy: 1.2028593794414002
Energy: 1.3766949200000542
Energy: 1.1661146551783699
Energy: 1.0373135942081861
Energy: 1.1661146551783699
Energy: 1.6060582554794582
Energy: 1.1627484822677718
Energy: 1.343004978082078
Energy: 1.1627484822698122
Energy: 1.6394010708467341
Energy: 1.1610512644199187
Energy: 1.3810366328349333
Energy: 1.1610512644199187
Energy: 1.3418647480906527
Energy: 1.3662475879104357
Energy: 1.321110864177901
Energy: 1.3662475879104357
Energy: 1.3390595190495254
Energy: 1.1589073533678267
Energy: 1.3777092729791116
Energy: 1.1589073533657859
Energy: 1.3898717794879518
Energy: 1.2064030614952452
Energy: 1.0381892931972514
Energy: 1.2064030614993262
Energy: 1.3773979206059621
Energy: 1.1697862086815036
Energy: 1.0403504779527508
Energy: 1.1697862086835442
Energy: 1.6392315828243458
Energy: 1.161358391870755
Energy: 1.3807706674950906
Energy: 1.161358391866674

minimum gb energy = 1.0373135942081861 eV
minimum distance =  2.28057301571269 Angstroms
sigma value = 9


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

Energy: 1.6861722639086916
Energy: 1.540489006143926
Energy: 1.5419450616076267
Energy: 1.5404890061446812
Energy: 1.2903844937062983
Energy: 1.173805775054348
Energy: 1.640203403336834
Energy: 1.1738057750551032
Energy: 1.183135839943388
Energy: 1.181367804626943
Energy: 1.4941373996268474
Energy: 1.1813678046254326
Energy: 1.1729138258687524
Energy: 1.1711001552266993
Energy: 1.7132597650395673
Energy: 1.1711001552266993
Energy: 1.20211181903131
Energy: 1.1770784990450904
Energy: 1.6024437400126728
Energy: 1.177078499040559
Energy: 1.1843348607512394
Energy: 1.3090301461746183
Energy: 1.5984474228496814
Energy: 1.309030146173863
Energy: 1.5322348688523049
Energy: 1.5032391116259165
Energy: 1.542161346940737
Energy: 1.503239111624406
Energy: 1.5233910094163166
Energy: 1.1773747753805812
Energy: 1.5238009380204156
Energy: 1.1773747753790704
Energy: 1.2836390994739335
Energy: 1.3963005770347439
Energy: 1.2772069309591985
Energy: 1.3963005770354993
Energy: 1.1943890239533195
Energy: 1.265563013122823
Energy: 1.555883251328267
Energy: 1.2655630131243338
Energy: 1.2710040732801613
Energy: 1.267800889762256
Energy: 1.6505819811789522
Energy: 1.2678008897607453
Energy: 1.2946324187699265
Energy: 1.2857574836186165
Energy: 1.6022067246752136
Energy: 1.285757483620127
Energy: 1.6053348560992593
Energy: 1.2676627332265074
Energy: 1.306389624122704
Energy: 1.2676627332257522
Energy: 1.5356260152251926
Energy: 1.264259857301354
Energy: 1.2934028239695903
Energy: 1.2642598573005988
Energy: 1.5854047167940823
Energy: 1.2681781705891566
Energy: 1.257428457453529
Energy: 1.268178170590667
Energy: 1.3861686383270413
Energy: 1.3868391749054156
Energy: 1.256913431966942
Energy: 1.3868391749054156
Energy: 1.4911903256360122
Energy: 1.1787882849012608
Energy: 1.3095959054585722
Energy: 1.1787882849027715
Energy: 1.5408538307063504
Energy: 1.5400142790149822
Energy: 1.6049248222560564
Energy: 1.5400142790149822
Energy: 1.6403697270802722
Energy: 1.1736022524079777
Energy: 1.3857128643799623
Energy: 1.1736022524087326
Energy: 1.5021726737829
Energy: 1.1688177647347568
Energy: 1.1871084707925408
Energy: 1.168817764735512
Energy: 1.714850297919586
Energy: 1.172172043138999
Energy: 1.1739513695352228
Energy: 1.1721720431374887
Energy: 1.6387493949721659
Energy: 1.1767831425221558
Energy: 1.201463088836688
Energy: 1.1767831425214004
Energy: 1.601196434677679
Energy: 1.197256247322807
Energy: 1.1846676625102603
Energy: 1.197256247322807
Energy: 1.5462712970781483
Energy: 1.3755462295863365
Energy: 1.5310945374616793
Energy: 1.3755462295848258
Energy: 1.5229877346308878
Energy: 1.1709816082724016
Energy: 1.5443363174637392
Energy: 1.170981608273912
Energy: 1.301345731696063
Energy: 1.3969814917830539
Energy: 1.2848820961547225
Energy: 1.3969814917807881
Energy: 1.557954243023719
Energy: 1.2631208180421998
Energy: 1.1941472638815032
Energy: 1.2631208180414448
Energy: 1.6510980037813168
Energy: 1.267932107118801
Energy: 1.2687743154451472
Energy: 1.267932107118801
Energy: 1.5988109991146526
Energy: 1.2873945876975186
Energy: 1.303634770753207
Energy: 1.287394587699784
Energy: 1.3089315184770023
Energy: 1.26820884212846
Energy: 1.6503527118638261
Energy: 1.2682088421277047
Energy: 1.2933164817159748
Energy: 1.2908014230528746
Energy: 1.5293119243574895
Energy: 1.2908014230521199
Energy: 1.2566008039113992
Energy: 1.2669100517001166
Energy: 1.5555919514569816
Energy: 1.2669100517031375
Energy: 1.2586162513147618
Energy: 1.2637763956117296
Energy: 1.3495477766680009
Energy: 1.26377639561324
Energy: 1.30619772273907
Energy: 1.1789680824202853
Energy: 1.3451403672188023
Energy: 1.1789680824202853
Energy: 1.6187114295204308
Energy: 1.5394677369425531
Energy: 1.541744732323408
Energy: 1.539467736941798

minimum gb energy = 1.1688177647347568 eV
minimum distance =  2.13129511512495 Angstroms
sigma value = 73


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

Energy: 1.5994033751281567
Energy: 1.4439698725403403
Energy: 1.442769879818192
Energy: 1.4439698725415386
Energy: 1.2098905494448915
Energy: 1.1831542196334064
Energy: 1.5881314097468688
Energy: 1.183154219634605
Energy: 1.1995029147919136
Energy: 1.20019678548925
Energy: 1.3687607992735351
Energy: 1.2001967854880518
Energy: 1.180334620062823
Energy: 1.4251870482781552
Energy: 1.61481595130278
Energy: 1.4251870482769569
Energy: 1.1984657177482358
Energy: 1.1792788951817375
Energy: 1.5272952430619944
Energy: 1.1792788951817375
Energy: 1.1823314395049749
Energy: 1.2221884584390197
Energy: 1.5254180659517393
Energy: 1.2221884584390197
Energy: 1.3799550674310537
Energy: 1.4125654013258246
Energy: 1.4206179933656549
Energy: 1.4125654013258246
Energy: 1.4462358238458919
Energy: 1.1800381775467013
Energy: 1.417843601624793
Energy: 1.180038177545503
Energy: 1.4027441979061697
Energy: 1.3223205113661367
Energy: 1.3628483025365146
Energy: 1.3223205113661367
Energy: 1.188941510088998
Energy: 1.323346576800573
Energy: 1.3998181365686395
Energy: 1.3233465767993746
Energy: 1.409894065071296
Energy: 1.1810420433460642
Energy: 1.6390463110225422
Energy: 1.1810420433424695
Energy: 1.4205239845437183
Energy: 1.4222754343545383
Energy: 1.5217889018574113
Energy: 1.4222754343533397
Energy: 1.3468016060029926
Energy: 1.1816015348080968
Energy: 1.210710755961326
Energy: 1.1816015348080968
Energy: 1.3480902541770303
Energy: 1.1788549809768922
Energy: 1.1962193624727449
Energy: 1.1788549809756939
Energy: 1.6526255322299999
Energy: 1.4242050906720345
Energy: 1.1773679680590958
Energy: 1.4242050906732326
Energy: 1.529726555544252
Energy: 1.2024469414528591
Energy: 1.1986470582669082
Energy: 1.2024469414540575
Energy: 1.6006319493979224
Energy: 1.1819526629229278
Energy: 1.4035583124591116
Energy: 1.181952662921784
Energy: 1.4211279484902228
Energy: 1.4449281924156945
Energy: 1.610445113294718
Energy: 1.4449281924168926
Energy: 1.3584229837458426
Energy: 1.1821896862221741
Energy: 1.4456076963816715
Energy: 1.1821896862221741
Energy: 1.400034381635841
Energy: 1.3250131979256135
Energy: 1.398937281963679
Energy: 1.3250131979256135
Energy: 1.4452044573455944
Energy: 1.3229114762433627
Energy: 1.1737764282190843
Energy: 1.3229114762421643
Energy: 1.5503620227174801
Energy: 1.1802874781269719
Energy: 1.4343783562060646
Energy: 1.1802874781281703

minimum gb energy = 1.1737764282190843 eV
minimum distance =  2.16786657080573 Angstroms
sigma value = 7


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

Energy: 2.0857801533629057
Energy: 1.4648374265782522
Energy: 1.4649398846808666
Energy: 1.4648374265858777
Energy: 1.241545154441864
Energy: 1.2121713499523599
Energy: 1.5832546466755992
Energy: 1.2121713499489708
Energy: 1.2068340860150093
Energy: 1.209288061551963
Energy: 1.366383491282312
Energy: 1.2092880615460317
Energy: 1.2044400168623963
Energy: 1.3435740085910157
Energy: 1.6286704255488982
Energy: 1.3435740085893213
Energy: 1.2485999854875225
Energy: 1.4430384542490062
Energy: 1.4830508423124515
Energy: 1.4430384542532426
Energy: 1.2093900534145197
Energy: 1.444922638591226
Energy: 1.5013306524400816
Energy: 1.4449226385954625
Energy: 1.4384350820527634
Energy: 1.224079725213367
Energy: 1.227717533300563
Energy: 1.2240797252065887
Energy: 1.56742565514128
Energy: 1.4432196223281322
Energy: 1.250334342665124
Energy: 1.4432196223264373
Energy: 1.633812671741828
Energy: 1.211850984855386
Energy: 1.210440954722315
Energy: 1.2118509848664007
Energy: 1.5361516475640933
Energy: 1.208481731474712
Energy: 1.211704945840724
Energy: 1.208481731471323
Energy: 1.608096428082543
Energy: 1.2131622045000277
Energy: 1.5767109574704121
Energy: 1.213162204498333
Energy: 1.4775942105592992
Energy: 1.4065676032700765
Energy: 1.563948341681794
Energy: 1.4065676032810914
Energy: 1.358806856454326
Energy: 1.5370973369838175
Energy: 1.3951733288652723
Energy: 1.5370973369787337
Energy: 1.360851116159978
Energy: 1.3287334928750534
Energy: 1.2283894106932354
Energy: 1.3287334928784424
Energy: 1.4213302870556364
Energy: 1.209717932112358
Energy: 1.2323739932853548
Energy: 1.2097179321157472
Energy: 1.2805717083075003
Energy: 1.4089216226685288
Energy: 1.4772083406086212
Energy: 1.4089216226685288
Energy: 1.573061973010697
Energy: 1.2133337677879157
Energy: 1.438052935895378
Energy: 1.2133337678014724
Energy: 1.2114247672328768
Energy: 1.2107955819856424
Energy: 1.3585331075056026
Energy: 1.2107955819949625
Energy: 1.2103409330781427
Energy: 1.2096226245954311
Energy: 1.634062128865638
Energy: 1.209622624600515
Energy: 1.2492290698550315
Energy: 1.4426937494091878
Energy: 1.6491912939746647
Energy: 1.442693749412577
Energy: 1.2227083596193773
Energy: 1.2276599278906895
Energy: 1.4859488382370925
Energy: 1.2276599278881477
Energy: 1.565736118988428
Energy: 1.4439694721517775
Energy: 1.2244819298846266
Energy: 1.4439694721483882
Energy: 1.5639034590739973
Energy: 1.2098657244124618
Energy: 1.2483776102556652
Energy: 1.209865724420935
Energy: 1.628997492152591
Energy: 1.2119463650285274
Energy: 1.2042176396411701
Energy: 1.2119463650336109
Energy: 1.4921167085703597
Energy: 1.2084862837357953
Energy: 1.206928874559393
Energy: 1.2084862837417265
Energy: 1.548661700728817
Energy: 1.210124724721085
Energy: 1.4218148212269528
Energy: 1.2101247247236266
Energy: 1.464316795711064
Energy: 1.4821354481412992
Energy: 1.8084376840384846
Energy: 1.4821354481412992
Energy: 1.3637457234866117
Energy: 1.208735275513058
Energy: 1.422398338262539
Energy: 1.2087352755096687
Energy: 1.3627050997538457
Energy: 1.3408047791195123
Energy: 1.3961674907559327
Energy: 1.340804779115276
Energy: 1.422235100391825
Energy: 1.4417916408992009
Energy: 1.2281562785301834
Energy: 1.4417916409051317
Energy: 1.6071285854285138
Energy: 1.2150326098870103
Energy: 1.4176410203706817
Energy: 1.2150326098870103

minimum gb energy = 1.2042176396411701 eV
minimum distance =  2.13657782382825 Angstroms
sigma value = 29


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

Energy: 1.1640031669038242
Energy: 1.3593617796450919
Energy: 1.3627914998813233
Energy: 1.3593617796450919
Energy: 1.3625409610465118
Energy: 1.1889810141018435
Energy: 1.264549374171706
Energy: 1.188981014101286
Energy: 1.189022719961486
Energy: 1.1920061894382612
Energy: 1.1809231017720532
Energy: 1.1920061894368181
Energy: 1.207538687448312
Energy: 1.1962215890696573
Energy: 1.2518413131477029
Energy: 1.1962215890711
Energy: 1.3589478296792714
Energy: 1.1890291464362102
Energy: 1.167463216707623
Energy: 1.1890291464353575
Energy: 1.3694970072636683
Energy: 1.1936551089081873
Energy: 1.1678444826474736
Energy: 1.1936551089076295
Energy: 1.1783256158207798
Energy: 1.304793362088092
Energy: 1.2605131532471572
Energy: 1.3047933620866492
Energy: 1.269051338719457
Energy: 1.190488699320185
Energy: 1.2092859002944396
Energy: 1.190488699320185
Energy: 1.1694391124584969
Energy: 1.3028971757084382
Energy: 1.1950089225938754
Energy: 1.3028971757075525

minimum gb energy = 1.1640031669038242 eV
minimum distance =  2.15836992886174 Angstroms
sigma value = 5


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

Energy: 1.674115287499594
Energy: 1.3880107269572854
Energy: 1.3861520486025218
Energy: 1.3880107269572854
Energy: 1.2096303467466374
Energy: 1.2364859612373174
Energy: 1.4371951050508815
Energy: 1.2364859612365169
Energy: 1.4395767507641404
Energy: 1.3643366661831147
Energy: 1.4753079171367682
Energy: 1.3643366661839151
Energy: 1.2667624047904382
Energy: 1.2333190144445663
Energy: 1.2403620282861525
Energy: 1.2333190144429655
Energy: 1.2669950638793392
Energy: 1.2359764533865452
Energy: 1.4450669971405652
Energy: 1.2359764533865452
Energy: 1.2317695444826677
Energy: 1.2332880413098888
Energy: 1.4528810062662751
Energy: 1.233288041310689
Energy: 1.234799143745844
Energy: 1.2339371976897469
Energy: 1.350115877373742
Energy: 1.2339371976905473
Energy: 1.2361035712533874
Energy: 1.2400333753308026
Energy: 1.6802437356987168
Energy: 1.2400333753308026
Energy: 1.2313186132745175
Energy: 1.2065011253920779
Energy: 1.6392331072615438
Energy: 1.2065011253904772
Energy: 1.4683949176849382
Energy: 1.207754408712965
Energy: 1.2079586665340796
Energy: 1.2077544087145657
Energy: 1.2339857981121398
Energy: 1.2074345776016375
Energy: 1.2086125623443762
Energy: 1.2074345776008373
Energy: 1.6522273569421075
Energy: 1.2047323450814362
Energy: 1.2030337531753
Energy: 1.2047323450798355
Energy: 1.6773774872580371
Energy: 1.2058279705605055
Energy: 1.2088634097532065
Energy: 1.2058279705629065
Energy: 1.3493072784315148
Energy: 1.3650045519050413
Energy: 1.4545383596563357
Energy: 1.3650045519058416
Energy: 1.2357625631143747
Energy: 1.2347229622983649
Energy: 1.445239461975393
Energy: 1.2347229622951632
Energy: 1.2429593783790647
Energy: 1.240909380547867
Energy: 1.2065419521669623
Energy: 1.2409093805486673
Energy: 1.3864145398043017
Energy: 1.3869465592496222
Energy: 2.19295337746924
Energy: 1.3869465592488217
Energy: 1.4340758403377303
Energy: 1.2317541636958185
Energy: 1.2119135449120326
Energy: 1.231754163695018
Energy: 1.4727053531488958
Energy: 1.366360149703706
Energy: 1.4407252965934325
Energy: 1.3663601497029056
Energy: 1.430399318996889
Energy: 1.3640869502763968
Energy: 1.262770141271167
Energy: 1.3640869502763968
Energy: 1.446278204055732
Energy: 1.234457244809389
Energy: 1.2678212204919195
Energy: 1.2344572448109896
Energy: 1.4443733668295673
Energy: 1.2353247578185076
Energy: 1.2451330223267416
Energy: 1.2353247578177071
Energy: 1.3498032941603915
Energy: 1.234417879234323
Energy: 1.2338376838300624
Energy: 1.234417879234323
Energy: 1.6824270885709354
Energy: 1.2365065232729386
Energy: 1.2389357588079766
Energy: 1.2365065232745394
Energy: 1.6145775302946348
Energy: 1.2132535682578551
Energy: 1.3903164633155947
Energy: 1.2132535682578551
Energy: 1.2109322251234296
Energy: 1.2028607672563758
Energy: 1.4681395517434856
Energy: 1.202860767257176
Energy: 1.2031735277396098
Energy: 1.202419195158755
Energy: 1.2402132260154097
Energy: 1.202419195158755
Energy: 1.2034184940444836
Energy: 1.2030198141838555
Energy: 1.2567703219375712
Energy: 1.2030198141838555
Energy: 1.2070968499349384
Energy: 1.2091266763189918
Energy: 1.6774506513975935
Energy: 1.2091266763197919
Energy: 1.4681699543987332
Energy: 1.4757058685103206
Energy: 1.3503469753701918
Energy: 1.4757058685103206
Energy: 1.4541001352002745
Energy: 1.2356316566397427
Energy: 1.239333032345861
Energy: 1.2356316566413434
Energy: 1.3497200806568084
Energy: 1.2372260710652256
Energy: 1.240057326097576
Energy: 1.2372260710644252
Energy: 1.2702088740796822
Energy: 1.2338772889114256
Energy: 1.4117453733695027
Energy: 1.2338772889122263

minimum gb energy = 1.202419195158755 eV
minimum distance =  2.11968561010157 Angstroms
sigma value = 1


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

Energy: 1.7920721188386217
Energy: 1.352293456500677
Energy: 1.3547013961203138
Energy: 1.3522934565017837
Energy: 1.3235893549055653
Energy: 1.1950162190696463
Energy: 1.4537751835975927
Energy: 1.1950162190707532
Energy: 1.2113306602950178
Energy: 1.194534139823833
Energy: 1.5140704319243807
Energy: 1.1945341398249396
Energy: 1.2200243372154294
Energy: 1.1920304292472301
Energy: 1.320553388614236
Energy: 1.1920304292505501
Energy: 1.2388868844643757
Energy: 1.2012186448018698
Energy: 1.2194304575963546
Energy: 1.2012186448062967
Energy: 1.1945654916371309
Energy: 1.190971445241963
Energy: 1.2194396039571271
Energy: 1.1909714452441764
Energy: 1.1882532006439317
Energy: 1.1918192275520865
Energy: 1.314935202213234
Energy: 1.1918192275520865
Energy: 1.1900143992086185
Energy: 1.1946439106834092
Energy: 1.8015689879703614
Energy: 1.194643910684516
Energy: 1.3149097723529461
Energy: 1.19237504646301
Energy: 1.6345619133751463
Energy: 1.19237504646301
Energy: 1.505405953509826
Energy: 1.196549478183022
Energy: 1.1897321841979882
Energy: 1.1965494781874486
Energy: 1.2307631195528046
Energy: 1.347893066565674
Energy: 1.1883332818274766
Energy: 1.3478930665645674
Energy: 1.4791045467187864
Energy: 1.189450779716346
Energy: 1.189881772517561
Energy: 1.1894507797174527
Energy: 1.7932664032337915
Energy: 1.1912718526183315
Energy: 1.203086874953353
Energy: 1.1912718526205448
Energy: 1.240067225401798
Energy: 1.193300654202826
Energy: 1.2263827565481162
Energy: 1.1933006542060955
Energy: 1.2197535007130125
Energy: 1.3569457568348684
Energy: 1.2255287405585027
Energy: 1.356945756838138
Energy: 1.2174871198090744
Energy: 1.1954061739155464
Energy: 1.323967708438364
Energy: 1.19540617391776
Energy: 1.35549804978602
Energy: 1.3540779317498506
Energy: 2.1571440136169713
Energy: 1.3540779317465308
Energy: 1.1909216062739605
Energy: 1.1898790187010428
Energy: 1.20565913198787
Energy: 1.189879018697723
Energy: 1.1923461532114665
Energy: 1.1927454988627777
Energy: 1.3985568299059898
Energy: 1.192745498859458
Energy: 1.1895581124868613
Energy: 1.1899795352901275
Energy: 1.8009488776257432
Energy: 1.1899795352912341
Energy: 1.498866243642536
Energy: 1.191360161333345
Energy: 1.3190164215399147
Energy: 1.191360161336665
Energy: 1.2192707043038402
Energy: 1.1945834339754544
Energy: 1.194700865706896
Energy: 1.1945834339732413
Energy: 1.3249657550289908
Energy: 1.193001542615429
Energy: 1.1919434811130258
Energy: 1.1930015426132157
Energy: 1.7933831057396374
Energy: 1.1910223898045822
Energy: 1.3516630483738208
Energy: 1.1910223898056889

minimum gb energy = 1.1882532006439317 eV
minimum distance =  2.13386268582825 Angstroms
sigma value = 17


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

Energy: 1.9218533871695362
Energy: 1.3442679417647048
Energy: 1.3496874175117204
Energy: 1.3442679417640209
Energy: 1.198836757126612
Energy: 1.185160897309191
Energy: 1.3561222796775114
Energy: 1.185160897310559
Energy: 1.5248653827476981
Energy: 1.3917911362972453
Energy: 1.3871175478265623
Energy: 1.3917911362951931
Energy: 1.5572621082335154
Energy: 1.189351258756019
Energy: 1.4930789426186444
Energy: 1.1893512587601234
Energy: 1.1701754129256523
Energy: 1.1689835213808988
Energy: 1.3546433365335162
Energy: 1.1689835213808988
Energy: 1.1693944963128333
Energy: 1.1678959057075582
Energy: 1.3489696555659436
Energy: 1.1678959057068743
Energy: 1.1699001487134126
Energy: 1.168470800052089
Energy: 1.2397320969886712
Energy: 1.1684708000527728
Energy: 1.169401385376889
Energy: 1.1656701642829705
Energy: 1.9242872800565158
Energy: 1.1656701642836544
Energy: 1.3505819511570947
Energy: 1.1670414723943907
Energy: 1.2139548621472185
Energy: 1.1670414723950748
Energy: 1.3804311714414512
Energy: 1.2684683190752915
Energy: 1.3660982779187332
Energy: 1.2684683190732393
Energy: 1.1971375404501017
Energy: 1.1887153386041387
Energy: 1.2068574013073758
Energy: 1.1887153386027705
Energy: 1.3573383174713012
Energy: 1.188182635253362
Energy: 1.3767911254701435
Energy: 1.1881826352554141
Energy: 1.3744248985719252
Energy: 1.1842893088066595
Energy: 1.184065110192177
Energy: 1.1842893088080277
Energy: 1.193694374951936
Energy: 1.1890946831697644
Energy: 1.1938694841993729
Energy: 1.1890946831690805
Energy: 1.5464780518417671
Energy: 1.1938790468417544
Energy: 1.1920176821337114
Energy: 1.1938790468431224
Energy: 1.1741259143740779
Energy: 1.2453747193732636
Energy: 1.1885095385075513
Energy: 1.2453747193725795
Energy: 1.193725517575474
Energy: 1.1893516074892723
Energy: 1.73929526773161
Energy: 1.1893516074879042
Energy: 1.1862270300588582
Energy: 1.1882874643638746
Energy: 1.3326818513178977
Energy: 1.1882874643618224
Energy: 1.1858114561722422
Energy: 1.1866063865666043
Energy: 1.5043796447517253
Energy: 1.1866063865659202
Energy: 1.3455487687616166
Energy: 1.1925011864902428
Energy: 1.9223896244271899
Energy: 1.1925011864875066
Energy: 1.3727273001886615
Energy: 1.1833510142730983
Energy: 1.1900808389745374
Energy: 1.1833510142724142
Energy: 1.38276775320234
Energy: 1.3913552744196578
Energy: 1.5305679107658683
Energy: 1.3913552744196578
Energy: 1.2437206404643968
Energy: 1.16703791528503
Energy: 1.5505791018024504
Energy: 1.1670379152843462
Energy: 1.7311193637328526
Energy: 1.1631673194634375
Energy: 1.1701742576552177
Energy: 1.1631673194565977
Energy: 1.3588053347867413
Energy: 1.1660905108331707
Energy: 1.1651132756427656
Energy: 1.1660905108345385
Energy: 1.3619638416188504
Energy: 1.162452792862392
Energy: 1.1720595423407292
Energy: 1.1624527928589723
Energy: 1.9236138145206236
Energy: 1.167900854989139
Energy: 1.1734492977186906
Energy: 1.167900854987771
Energy: 1.5149513706932098
Energy: 1.1669228136198413
Energy: 1.3345218849911646
Energy: 1.1669228136191574
Energy: 1.3849049369183708
Energy: 1.2746108633409403
Energy: 1.3829449581463362
Energy: 1.2746108633388884
Energy: 1.2087619780094296
Energy: 1.1878885146837928
Energy: 1.2008844632873856
Energy: 1.1878885146844766
Energy: 1.1976436694047832
Energy: 1.1837438761939296
Energy: 1.3535281631811191
Energy: 1.1837438761952976
Energy: 1.1880639451657005
Energy: 1.1840467010353593
Energy: 1.362473363138654
Energy: 1.1840467010333071
Energy: 1.1899770262042857
Energy: 1.1881951659604126
Energy: 1.188251300644425
Energy: 1.1881951659604126
Energy: 1.1978907887638766
Energy: 1.185036957802127
Energy: 1.5572685280885203
Energy: 1.185036957801443
Energy: 1.1861629638960123
Energy: 1.2430810140866144
Energy: 1.1676732526170723
Energy: 1.243081014087982
Energy: 1.738911472638003
Energy: 1.1884517718896255
Energy: 1.1862166147144715
Energy: 1.1884517718875733
Energy: 1.342438342253091
Energy: 1.185846264900578
Energy: 1.1883082718680098
Energy: 1.1858462649012618
Energy: 1.5169550687506699
Energy: 1.1871828601235719
Energy: 1.1852195320389731
Energy: 1.1871828601256238

minimum gb energy = 1.1624527928589723 eV
minimum distance =  2.14760808521711 Angstroms
sigma value = 89


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

Energy: 2.050594483855776
Energy: 1.0949474696518293
Energy: 1.2584830078270521
Energy: 1.0949474696518293
Energy: 1.094713668058129
Energy: 1.0971327738998424
Energy: 1.1294874426508004
Energy: 1.0971327738998424
Energy: 1.0942094772336255
Energy: 1.096493419437171
Energy: 1.1300622130013973
Energy: 1.0964934194335916
Energy: 1.0875133771412826
Energy: 1.2416448188591167
Energy: 1.0967890308473356
Energy: 1.2416448188609066
Energy: 1.0958670084606845
Energy: 1.0972376050454198
Energy: 1.123754251212044
Energy: 1.0972376050472095
Energy: 1.094321063480278
Energy: 1.0979178099197244
Energy: 1.1230422345797662
Energy: 1.0979178099197244
Energy: 1.0941467726546001
Energy: 1.0949756850730403
Energy: 1.0968924717449886
Energy: 1.09497568507483
Energy: 1.1032291399293663
Energy: 1.0956115232409798
Energy: 2.048409397825438
Energy: 1.0956115232409798
Energy: 1.0969964590928767
Energy: 1.0961005775434394
Energy: 1.085813991422836
Energy: 1.0961005775434394
Energy: 1.5734936787019556
Energy: 1.096092254424152
Energy: 1.0980780562979708
Energy: 1.096092254424152
Energy: 1.0978224589005887
Energy: 1.223648705117846
Energy: 1.0851066866269028
Energy: 1.223648705117846
Energy: 1.10415961001956
Energy: 1.0964438765434983
Energy: 1.095169107067521
Energy: 1.0964438765434983
Energy: 1.1243189429238538
Energy: 1.0964360127233432
Energy: 1.0956165248344854
Energy: 1.0964360127215536
Energy: 1.095966862330901
Energy: 1.098771612900877
Energy: 1.0920142613455748
Energy: 1.098771612900877
Energy: 1.0848760968875961
Energy: 1.0962554337706598
Energy: 1.0955165794661454
Energy: 1.0962554337724495

minimum gb energy = 1.0848760968875961 eV
minimum distance =  2.164702410608 Angstroms
sigma value = 13


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

Energy: 1.9310858861221762
Energy: 1.2439236166488434
Energy: 1.2485287445918636
Energy: 1.2439236166563448
Energy: 1.2531418241042003
Energy: 1.0635956017043315
Energy: 1.249465029918865
Energy: 1.0635956017110828
Energy: 1.160157861811728
Energy: 1.0676513905182534
Energy: 1.2740337845437728
Energy: 1.067651390521254
Energy: 1.5342636896190338
Energy: 1.0631866014992308
Energy: 1.262505784012015
Energy: 1.0631866015052318
Energy: 1.2076409129312242
Energy: 1.2833976575952488
Energy: 1.2202381113039686
Energy: 1.2833976575967492
Energy: 1.2522994998547556
Energy: 1.0654511576200416
Energy: 1.239059436559693
Energy: 1.0654511576215417
Energy: 1.2567190151762353
Energy: 1.0730003481835622
Energy: 1.271793501447614
Energy: 1.0730003481843124
Energy: 1.0876606418741208
Energy: 1.0790359297981325
Energy: 2.130235191496477
Energy: 1.0790359297988825
Energy: 1.0665179069831583
Energy: 1.0658245032931408
Energy: 1.1657504184201266
Energy: 1.065824503299892
Energy: 1.068488001397763
Energy: 1.0678188180004247
Energy: 1.2631130383565765
Energy: 1.0678188179989245
Energy: 1.070978762224415
Energy: 1.0680156052593825
Energy: 1.9321027683247394
Energy: 1.0680156052541319
Energy: 1.2506225600129577
Energy: 1.0690136755716633
Energy: 1.2555802337497852
Energy: 1.069013675565662
Energy: 1.2216214643973362
Energy: 1.1468941357453466
Energy: 1.5048672244260068
Energy: 1.1468941357513478
Energy: 1.3735119905487991
Energy: 1.1580433925318174
Energy: 1.5355794061160266
Energy: 1.1580433925265665
Energy: 1.3236963496439291
Energy: 1.0440010347378714
Energy: 1.1395989155462014
Energy: 1.0440010347303703
Energy: 1.3237742159628425
Energy: 1.0452517810034776
Energy: 1.140468239155871
Energy: 1.045251781007978
Energy: 1.072855212246255
Energy: 1.0449727196662544
Energy: 1.1397898528184203
Energy: 1.0449727196602536
Energy: 1.832743107966261
Energy: 1.0465409656350448
Energy: 1.178250751005529
Energy: 1.0465409656327944
Energy: 1.4150421270693905
Energy: 1.046498102380821
Energy: 1.3443196146690306
Energy: 1.0464981023823212
Energy: 1.0638963139536026
Energy: 1.0514976224226653
Energy: 1.3374283123967863
Energy: 1.0514976224189145
Energy: 1.5317139772306358
Energy: 1.048104336964852
Energy: 1.331208623905773
Energy: 1.0481043369626015
Energy: 1.080069960070596
Energy: 1.268596144320009
Energy: 1.2211273827201636
Energy: 1.268596144320759
Energy: 1.2364423355065564
Energy: 1.064115075726212
Energy: 1.237811973675171
Energy: 1.0641150757307127
Energy: 1.1653477126623493
Energy: 1.0702400201682511
Energy: 1.434989242730995
Energy: 1.0702400201690012
Energy: 1.1058460334715883
Energy: 1.0708346418611354
Energy: 1.3286551340845651
Energy: 1.0708346418618857
Energy: 1.0659690379720381
Energy: 1.06396294812771
Energy: 1.3294838095594201
Energy: 1.0639629481239594
Energy: 1.069581729627009
Energy: 1.0701064158731222
Energy: 1.4378647741253838
Energy: 1.0701064158753726
Energy: 1.0716905649192396
Energy: 1.0663841106527236
Energy: 1.933171728711869
Energy: 1.0663841106459724
Energy: 1.2347767167376051
Energy: 1.0716967489049611
Energy: 1.3646302027883532
Energy: 1.071696748904211
Energy: 1.3439271115506888
Energy: 1.1486043098783405
Energy: 1.2599118580766746
Energy: 1.1486043098843415
Energy: 1.2583490465119125
Energy: 1.15018757109574
Energy: 1.5328351942336895
Energy: 1.1501875711039913
Energy: 1.3325770391618736
Energy: 1.0688935001918667
Energy: 1.0660762155069237
Energy: 1.0688935001911164
Energy: 1.324964423181851
Energy: 1.0619085552063818
Energy: 1.063392487692117
Energy: 1.061908555207132
Energy: 1.316067565383169
Energy: 1.0715153993867017
Energy: 1.07254528537876
Energy: 1.0715153993859516
Energy: 1.3456020091383223
Energy: 1.0636390301752858
Energy: 1.066060716441668
Energy: 1.063639030182037

minimum gb energy = 1.0440010347303703 eV
minimum distance =  2.14504016140525 Angstroms
sigma value = 37


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

Energy: 1.6143922727390552
Energy: 0.9875483283462597
Energy: 0.9874957062736154
Energy: 0.9875483283449691
Energy: 1.00609455923529
Energy: 0.9806807339235518
Energy: 1.2928588787150312
Energy: 0.9806807339222613
Energy: 1.5916830540523697
Energy: 0.9876503971652041
Energy: 1.3016287669757818
Energy: 0.9876503971639135
Energy: 1.6259296701868857
Energy: 0.9883469146387114
Energy: 1.0060364828481607
Energy: 0.9883469146387114
Energy: 1.006277974284835
Energy: 1.129363662087476
Energy: 1.2954715340435399
Energy: 1.129363662087476
Energy: 1.2942159707008651
Energy: 0.9829446549800671
Energy: 1.2925600711821703
Energy: 0.9829446549800671
Energy: 0.9773790908063735
Energy: 0.9868718122245077
Energy: 1.0058609597760872
Energy: 0.9868718122232171
Energy: 1.0064708907351763
Energy: 0.9914207041993311
Energy: 1.2954428454621143
Energy: 0.9914207041993311
Energy: 0.9860815415617827
Energy: 0.9867983903217159
Energy: 0.9813644222429937
Energy: 0.9867983903217159
Energy: 0.9839769222162689
Energy: 0.9811319260404763
Energy: 1.005607625001648
Energy: 0.9811319260417669
Energy: 0.9874957060246546
Energy: 0.9875483283449691
Energy: 1.6143922727390552
Energy: 0.9875483283436786
Energy: 1.292858878713741
Energy: 0.9806807339248422
Energy: 1.1996061042654247
Energy: 0.9806807339248422
Energy: 1.3016287669757818
Energy: 0.9876503971639135
Energy: 1.5916830540523697
Energy: 0.9876503971639135
Energy: 1.006036482850742
Energy: 0.9883469146361303
Energy: 1.6259296701868857
Energy: 0.9883469146374209
Energy: 1.2954715340435399
Energy: 1.129363662087476
Energy: 1.0062779742861254
Energy: 1.129363662087476
Energy: 1.1559006720606804
Energy: 0.9829446549800671
Energy: 1.2942159707008651
Energy: 0.9829446549800671
Energy: 1.0058609597760872
Energy: 0.9868718122232171
Energy: 0.9773790908089546
Energy: 0.9868718122232171
Energy: 1.2954428454388842
Energy: 0.9914207041993311
Energy: 1.0064708907338855
Energy: 0.9914207041980405
Energy: 0.981364422240442
Energy: 0.9867983903204254
Energy: 0.9860815415643638
Energy: 0.9867983903217159
Energy: 1.0056076249990669
Energy: 0.9811319260430575
Energy: 0.9839769222162689
Energy: 0.9811319260417669

minimum gb energy = 0.9773790908063735 eV
minimum distance =  2.17363310050793 Angstroms
sigma value = 25


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

Energy: 1.9009061546524675
Energy: 1.098501492246838
Energy: 1.0965452407567455
Energy: 1.098501492246838
Energy: 1.46549608705295
Energy: 0.8888333030524207
Energy: 1.1375885461260005
Energy: 0.8888333030514127
Energy: 1.3918659510512796
Energy: 0.8864992452569714
Energy: 1.1371465011602886
Energy: 0.8864992452579793
Energy: 1.3728511052498618
Energy: 0.8818638131801628
Energy: 1.1401844809786916
Energy: 0.8818638131801628
Energy: 1.4286809014175954
Energy: 1.1587724846182008
Energy: 1.4649639736546012
Energy: 1.1587724846192085
Energy: 1.3904584639215238
Energy: 1.0172928298915425
Energy: 1.4658028546195598
Energy: 1.0172928298925503
Energy: 1.3928206684124953
Energy: 1.1584863059719794
Energy: 1.4657780358755574
Energy: 1.1584863059719794
Energy: 1.149123374107695
Energy: 0.8903812664121057
Energy: 1.6391246020271961
Energy: 0.8903812664110979
Energy: 1.1360592114509918
Energy: 0.8878018265837319
Energy: 1.4655421067953478
Energy: 0.887801826582724
Energy: 1.136629872335239
Energy: 0.8801568276645332
Energy: 1.4657952174794806
Energy: 0.8801568276645332
Energy: 0.8998694383528381
Energy: 1.0866002941200028
Energy: 1.633941126886037
Energy: 1.0866002941200028
Energy: 0.889938040930135
Energy: 0.8893164923800555
Energy: 1.4308269852254683
Energy: 0.8893164923800555
Energy: 0.8888519608100808
Energy: 0.8887357937622182
Energy: 1.394488312254672
Energy: 0.8887357937642337
Energy: 0.9089553912144324
Energy: 0.9063813612624545
Energy: 1.9025478724356075
Energy: 0.9063813612634621
Energy: 1.137423561442893
Energy: 0.8877719778904403
Energy: 1.4287245274605067
Energy: 0.8877719778894325
Energy: 1.139570685832409
Energy: 0.8808005646963583
Energy: 1.3910732436782687
Energy: 0.880800564697366
Energy: 1.1488516626857004
Energy: 1.1507648259981942
Energy: 1.3910583068551023
Energy: 1.1507648259971863
Energy: 1.1359021459803376
Energy: 1.2166332709326646
Energy: 1.5058596768970434
Energy: 1.216633270931657
Energy: 1.4688233306438427
Energy: 1.0073881804637623
Energy: 1.391471945760996
Energy: 1.0073881804647704
Energy: 1.463644626473099
Energy: 1.1579559846077658
Energy: 1.390053772717688
Energy: 1.1579559846087735
Energy: 1.6371396360842985
Energy: 0.8895238963101988
Energy: 1.1452450988784364
Energy: 0.8895238963101988
Energy: 1.4651646505051101
Energy: 0.8980307766154911
Energy: 0.8994051411160621
Energy: 0.8980307766154911
Energy: 1.4587558909848286
Energy: 0.8815393392281717
Energy: 1.1287248126459042
Energy: 0.881539339227164
Energy: 1.6358052558979572
Energy: 0.8912240222184592
Energy: 0.8905700985614784
Energy: 0.8912240222184592
Energy: 1.4282283256096964
Energy: 0.888115531893788
Energy: 0.8867819686820052
Energy: 0.888115531893788
Energy: 1.3887754438577222
Energy: 0.8803254464771427
Energy: 0.8919086530780677
Energy: 0.8803254464771427

minimum gb energy = 0.8801568276645332 eV
minimum distance =  2.26110669431795 Angstroms
sigma value = 41


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

Energy: 2.0733734355304083
Energy: 1.0288722737311402
Energy: 1.1916417292914616
Energy: 1.0288722737311402
Energy: 1.6534963576565682
Energy: 0.8071898190966263
Energy: 1.0248676017582434
Energy: 0.8071898190958002
Energy: 1.6326752734079841
Energy: 0.8075145857988215
Energy: 1.0232490916351082
Energy: 0.8075145857996477
Energy: 1.6316558409162278
Energy: 1.0942032687534615
Energy: 1.0235616853194467
Energy: 1.0942032687534615
Energy: 1.6504027199009135
Energy: 0.8163273338922403
Energy: 1.4285331426046368
Energy: 0.8163273338905879
Energy: 1.606679010779861
Energy: 0.8179455370720519
Energy: 1.4232310156938957
Energy: 0.8179455370703994
Energy: 1.6122685759763222
Energy: 0.9136660266862505
Energy: 1.4984218278158659
Energy: 0.9136660266854243
Energy: 1.51209692977958
Energy: 1.409732808740411
Energy: 1.4205183958052132
Energy: 1.4097328087412373
Energy: 1.2347889966297843
Energy: 0.81575225937031
Energy: 1.6403063859630682
Energy: 0.8157522593744411
Energy: 1.2360070977261708
Energy: 0.8161950949662109
Energy: 1.49870758510553
Energy: 0.8161950949645584
Energy: 1.0224415303620407
Energy: 0.8120187225215949
Energy: 1.8539064837686392
Energy: 0.8120187225199426
Energy: 1.0089154015349056
Energy: 0.8163719931246234
Energy: 1.6522957566299081
Energy: 0.8163719931237972
Energy: 1.0272043471143637
Energy: 0.8078960103599725
Energy: 1.6498985004147089
Energy: 0.8078960103624512
Energy: 0.8150342534569012
Energy: 0.8116959363957954
Energy: 1.6671530445819203
Energy: 0.8116959363941431
Energy: 0.8163547625196395
Energy: 0.8170843582171826
Energy: 1.6512221958863749
Energy: 0.8170843582171826
Energy: 0.8102734934232017
Energy: 0.8084030300327874
Energy: 1.6288831619914261
Energy: 0.8084030300319611
Energy: 0.9917553569375491
Energy: 0.8112787208586816
Energy: 1.629651406427117
Energy: 0.8112787208578554
Energy: 1.016872901470296
Energy: 1.009215812699532
Energy: 1.6500871049450094
Energy: 1.0092158127011845
Energy: 1.034311418066914
Energy: 0.8088746899455421
Energy: 1.608460955147302
Energy: 0.8088746899471945
Energy: 1.0275669217036676
Energy: 0.8064088699148686
Energy: 1.6068336484198995
Energy: 0.80640886991239
Energy: 1.4225175949825877
Energy: 1.0911575371379991
Energy: 1.6497126605890529
Energy: 1.091157537137173
Energy: 1.4966353899466498
Energy: 0.8064490576328819
Energy: 1.6038006809943328
Energy: 0.8064490576320557
Energy: 1.4402458137271974
Energy: 0.9236373812317322
Energy: 1.6040790892609815
Energy: 0.9236373812325585
Energy: 1.421733581219842
Energy: 0.9087052889767094
Energy: 1.4960216047658066
Energy: 0.9087052889775357
Energy: 1.650530861401676
Energy: 1.0906965818839955
Energy: 1.2074646870644645
Energy: 1.0906965818839955
Energy: 1.494529517777179
Energy: 0.8068765316545645
Energy: 1.3281372596898267
Energy: 0.8068765316545645
Energy: 1.4948528659863822
Energy: 0.8093994213836962
Energy: 1.0259481835203044
Energy: 0.8093994213861748
Energy: 1.6566962670149206
Energy: 0.8072170590889717
Energy: 1.0091029126065278
Energy: 0.8072170590889717
Energy: 1.6148904920745122
Energy: 0.8102820837443416
Energy: 0.9918928699501227
Energy: 0.8102820837426892
Energy: 1.490630411854331
Energy: 0.8171247222926759
Energy: 0.8095887507438269
Energy: 0.8171247222918496
Energy: 1.648751803440712
Energy: 0.8165900727717382
Energy: 0.8156786548999208
Energy: 0.816590072770912
Energy: 1.628333108758319
Energy: 0.8089705145713236
Energy: 0.8089301900315647
Energy: 0.8089705145721499

minimum gb energy = 0.80640886991239 eV
minimum distance =  2.25712801564891 Angstroms
sigma value = 15


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

Energy: 1.8059192475328731
Energy: 0.9770206240349717
Energy: 1.1482488201630519
Energy: 0.977020624033572
Energy: 1.7665257176715607
Energy: 0.7520834432843713
Energy: 0.9364894522446889
Energy: 0.7520834432843713
Energy: 1.7486203676884517
Energy: 0.751337820360029
Energy: 0.93534514255502
Energy: 0.7513378203607289
Energy: 1.4900874223746865
Energy: 0.7818773356105884
Energy: 1.2052348892183586
Energy: 0.7818773356070888
Energy: 1.763350907820063
Energy: 0.7493236375267806
Energy: 1.2813199774332413
Energy: 0.7493236375246807
Energy: 1.4945924274622522
Energy: 0.7501635351866487
Energy: 1.282414559467187
Energy: 0.7501635351880486
Energy: 1.4460612268615025
Energy: 1.025751356183034
Energy: 1.3872791098078188
Energy: 1.0257513561816343
Energy: 1.502335743318788
Energy: 0.836401434842644
Energy: 1.2645639138924984
Energy: 0.8364014348454436
Energy: 1.4432446618478538
Energy: 0.8327618416492908
Energy: 1.4909985919701092
Energy: 0.8327618416478909
Energy: 1.4414032219791935
Energy: 1.024948816730799
Energy: 1.6246099012877908
Energy: 1.0249488167314988
Energy: 1.3889871234606688
Energy: 0.7530224474174133
Energy: 1.624356339035868
Energy: 0.7530224474160134
Energy: 1.0916993994748803
Energy: 0.7499285002128848
Energy: 1.6265912859723777
Energy: 0.7499285002128848
Energy: 1.268562839135209
Energy: 0.7495961082223712
Energy: 1.6203549615815562
Energy: 0.7495961082223712
Energy: 0.9375141160059348
Energy: 0.7555648554079201
Energy: 1.5947217882043099
Energy: 0.7555648554093197
Energy: 0.9191641734276201
Energy: 0.7516043672876238
Energy: 1.7627725058806887
Energy: 0.7516043672883237
Energy: 0.9441536700099028
Energy: 0.7536590603682849
Energy: 1.6186011906162605
Energy: 0.7536590603668851
Energy: 0.7554950074436461
Energy: 0.7548903093767793
Energy: 1.6213334282287868
Energy: 0.754890309378179
Energy: 0.7500227335835664
Energy: 0.7524920835617732
Energy: 1.7668014704851351
Energy: 0.7524920835624732
Energy: 0.7515582461100909
Energy: 0.7540605092935023
Energy: 1.494978594597556
Energy: 0.7540605092921024
Energy: 0.9425701213150909
Energy: 0.7521682673468317
Energy: 1.7462893908009256
Energy: 0.752168267346132
Energy: 0.9268531297825832
Energy: 0.7512294856033067
Energy: 1.7557958169842756
Energy: 0.7512294856005072
Energy: 0.920397397408591
Energy: 0.7569144845271434
Energy: 1.4922490449436279
Energy: 0.7569144845264436
Energy: 1.286129417304428
Energy: 0.7500095745547083
Energy: 1.4918753645151102
Energy: 0.7500095745533084
Energy: 1.271095059637401
Energy: 0.7503671436086953
Energy: 1.7620255472380164
Energy: 0.7503671436079954
Energy: 1.3905183389116698
Energy: 0.7530616923228121
Energy: 1.43961953820953
Energy: 0.7530616923270116
Energy: 1.565247378420605
Energy: 1.024656772276972
Energy: 1.501909328599664
Energy: 1.024656772274872
Energy: 1.26872498691248
Energy: 0.8330931608069995
Energy: 1.485273701744524
Energy: 0.8330931608069995
Energy: 1.644564375404491
Energy: 0.835989464057031
Energy: 1.4417827829080145
Energy: 0.8359894640577309
Energy: 1.49769129679794
Energy: 1.024553006462023
Energy: 1.3865130679241071
Energy: 1.0245530064627228
Energy: 1.5850209101325516
Energy: 0.7500737716196898
Energy: 1.2815762233242718
Energy: 0.7500737716196898
Energy: 1.6260644543212268
Energy: 0.7505805213783746
Energy: 1.0918931865835109
Energy: 0.7505805213769747
Energy: 1.4908198670808348
Energy: 0.7822707317266419
Energy: 1.2067304606398002
Energy: 0.7822707317266419
Energy: 1.6217526243903884
Energy: 0.7513253212401884
Energy: 0.9367680158252247
Energy: 0.7513253212401884
Energy: 1.765045744898285
Energy: 0.751011015239222
Energy: 0.9354294759877259
Energy: 0.751011015239222
Energy: 1.99505542799452
Energy: 0.7836652604878762
Energy: 0.7802429405842903
Energy: 0.7836652604857764
Energy: 1.7610053967535122
Energy: 0.7514677736276532
Energy: 0.7541565621757961
Energy: 0.7514677736262534
Energy: 1.7466635156097865
Energy: 0.7513840181654226
Energy: 0.7582631942050645
Energy: 0.7513840181654226

minimum gb energy = 0.7493236375246807 eV
minimum distance =  2.2604375809908 Angstroms
sigma value = 85


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

Energy: 2.001551394882368
Energy: 0.9165057824316923
Energy: 1.1022003608090103
Energy: 0.9165057824316923
Energy: 1.8991022914591906
Energy: 0.6855547476082172
Energy: 0.850118878721517
Energy: 0.685554747602754
Energy: 1.6399158475548974
Energy: 0.685195113940707
Energy: 0.8339195616851002
Energy: 0.685195113940707
Energy: 1.6761374838911807
Energy: 0.8972046296118198
Energy: 0.833679227873909
Energy: 0.897204629615462
Energy: 1.7105605817984713
Energy: 0.6870459843176461
Energy: 1.141452837322114
Energy: 0.6870459843182531
Energy: 1.5582130767868485
Energy: 0.685600798789211
Energy: 1.1414014959644556
Energy: 0.6856007987867829
Energy: 1.5577205433826835
Energy: 0.6868619751404674
Energy: 1.1471118447063648
Energy: 0.6868619751404674
Energy: 1.6639300240382981
Energy: 0.9809246309750855
Energy: 1.2045433739604663
Energy: 0.9809246309732643
Energy: 1.5768506651113865
Energy: 0.9795420639974725
Energy: 1.4406097130517364
Energy: 0.9795420639992934
Energy: 1.5773890235375687
Energy: 0.8395334792573315
Energy: 1.4926060909320464
Energy: 0.8395334792542963
Energy: 1.4964490495528764
Energy: 0.6815596349590086
Energy: 1.5205725060560362
Energy: 0.6815596349614367
Energy: 1.3604846810904028
Energy: 0.682734111413528
Energy: 1.5826596178702488
Energy: 0.6827341114074579
Energy: 1.41951927361043
Energy: 0.6818514088669144
Energy: 1.5839846624007998
Energy: 0.6818514088681285
Energy: 1.3014063289184632
Energy: 0.683535229847927
Energy: 1.4905053163671995
Energy: 0.6835352298515693
Energy: 1.052307719339444
Energy: 0.683341825209571
Energy: 1.7749403843534974
Energy: 0.6833418252089638
Energy: 1.1336223567764936
Energy: 0.681974995333916
Energy: 1.5792100554068513
Energy: 0.681974995333309
Energy: 0.8403769057752086
Energy: 0.6830161744185907
Energy: 1.5293353112416812
Energy: 0.6830161744143416
Energy: 0.8338343762578515
Energy: 0.6839225435024274
Energy: 1.820249754683302
Energy: 0.6839225435012133
Energy: 0.8830369387123179
Energy: 0.6815898076183998
Energy: 1.7514165764976453
Energy: 0.6815898076147576
Energy: 0.756645822690912
Energy: 0.6814011168027686
Energy: 1.7510668760128794
Energy: 0.6814011168021615
Energy: 0.7684110663488308
Energy: 0.683812320852045
Energy: 1.8219381933522174
Energy: 0.6838123208556872
Energy: 0.8947091060478007
Energy: 0.768662302599023
Energy: 1.5800127128482775
Energy: 0.768662302599023
Energy: 0.9046876788686117
Energy: 0.681607404595689
Energy: 1.8119777408485247
Energy: 0.6816074045962961
Energy: 0.9059010247441255
Energy: 0.6864863997021977
Energy: 1.819187257526688
Energy: 0.6864863997003765
Energy: 0.9051372767274812
Energy: 0.6808853220463041
Energy: 1.6735753165688243
Energy: 0.6808853220487322
Energy: 1.1448774169051354
Energy: 0.6835082683177592
Energy: 1.6465414600424355
Energy: 0.6835082683214013
Energy: 1.1437947177416787
Energy: 0.6816637864512626
Energy: 1.6461296704826551
Energy: 0.6816637864470134
Energy: 1.3044421338152847
Energy: 0.6844441858519577
Energy: 1.6802362131735178
Energy: 0.6844441858477085
Energy: 1.4319058708772991
Energy: 0.6807594835752846
Energy: 1.6611961392966241
Energy: 0.6807594835740707
Energy: 1.4314394559777428
Energy: 0.6813632037413595
Energy: 1.5774438649665246
Energy: 0.6813632037443947
Energy: 1.4932706299148957
Energy: 0.6812275445860753
Energy: 1.3637610314748876
Energy: 0.6812275445909314
Energy: 1.4936044794588506
Energy: 0.9403132992778829
Energy: 1.4526895774675521
Energy: 0.9403132992833461
Energy: 1.5762816969075961
Energy: 0.9419657866045317
Energy: 1.3603245261451424
Energy: 0.9419657866075668
Energy: 1.6085665159477354
Energy: 0.6867196013826012
Energy: 1.3626054356329491
Energy: 0.6867196013850293
Energy: 1.514517856825332
Energy: 0.6877914323057799
Energy: 1.1415147302842787
Energy: 0.6877914323045659
Energy: 1.7776003581215682
Energy: 0.6851628834461407
Energy: 1.1416544655850702
Energy: 0.6851628834516039
Energy: 1.756263892114144
Energy: 0.6855867812047698
Energy: 1.1541925396557708
Energy: 0.6855867812053492
Energy: 1.8412492676094747
Energy: 0.6896847420851421
Energy: 1.1404571434012163
Energy: 0.689684742083928
Energy: 1.8350855292513097
Energy: 0.6865543818237989
Energy: 0.8331751949044113
Energy: 0.6865543818322972
Energy: 1.7509860615867145
Energy: 0.6871373325320689
Energy: 0.8374020820655533
Energy: 0.6871373325314619
Energy: 1.526681249585929
Energy: 0.6888708192601193
Energy: 0.6861188611749559
Energy: 0.6888708192619403
Energy: 1.833540443101364
Energy: 0.6865807164837261
Energy: 0.6932641279694663
Energy: 0.6865807164837261
Energy: 1.6354995295918906
Energy: 0.6866156184029811
Energy: 0.6901762033146613
Energy: 0.6866156183999459

minimum gb energy = 0.6807594835740707 eV
minimum distance =  2.25350622008989 Angstroms
sigma value = 113


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

Energy: 0.020472359029169124
Energy: 0.46624704007619744
Energy: 1.4110056879666846
Energy: 0.46624704007894546
Energy: 1.1005244643318755
Energy: 0.18363465749361071
Energy: 1.1014505089971887
Energy: 0.18363465749361071
Energy: 0.021192257582308246
Energy: 0.18217619457556905
Energy: 1.1033350720041732
Energy: 0.18217619457645048
Energy: 0.023129348588355105
Energy: 0.18106035732620515
Energy: 1.1026900233401615
Energy: 0.18106035732620515
Energy: 1.099038300374954
Energy: 0.181226424652045
Energy: 1.0994411556899997
Energy: 0.18122642465017838
Energy: 0.02113014640071784
Energy: 0.18144966357371445
Energy: 1.1018425195957875
Energy: 0.18144966357412923

minimum gb energy = 0.020472359029169124 eV
minimum distance =  2.46103889055986 Angstroms
sigma value = 1