Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523999392986298
cohesive_energy=4.440349230729681
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.5730476089049795e-19, 3.32917884955494e-19, 3.88902743077356e-19, 4.341241785720059e-19, 4.72172669276238e-19, 5.049323749116359e-19, 5.33528023475268e-19, 5.58707831455212e-19, 5.809925062575179e-19, 6.00764968097712e-19, 6.18321619653084e-19, 6.33891572182296e-19, 6.4766228035152595e-19, 6.597859509410039e-19, 6.703907580814499e-19, 6.79582445430708e-19, 6.874587457634519e-19, 6.9409496138148e-19, 6.995647924099559e-19, 7.039307237376059e-19, 7.072456271933519e-19, 7.095607724294819e-19, 7.109210203917479e-19, 7.11366425496e-19, 7.108841703291659e-19, 7.09320445934382e-19, 7.06465367172594e-19, 7.020770053720679e-19, 6.95854151325612e-19, 6.8743791746721e-19, 6.7639090957578e-19, 6.621763984789319e-19, 6.4413909393336e-19, 6.214618858557239e-19, 5.931273920834339e-19, 5.57860280015826e-19, 5.14043953429194e-19, 4.5960840011241e-19, 3.91889200323132e-19, 3.07398415529142e-19, 2.01637133742168e-19, 6.92441515095192e-20, -9.632558293635779e-20, -3.05985295737954e-19, -6.046710747314039e-19, -1.081735189271244e-18, -1.87161467853978e-18, -3.1778372447072996e-18, -5.3153972227247394e-18, -8.580905572844519e-18, -1.353675833713332e-17, -2.1622975852464e-17, -3.51059330982276e-17, -5.922670232309759e-17]
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: 0.018022234558958617
Energy: 0.018651079006170787
Energy: 0.018357402209765398
Energy: 0.01829999991949834
Energy: 0.5954760312064997
Energy: 0.018385124309816137
Energy: 0.018651079006170787
Energy: 0.15943770626023843
Energy: 0.1595190436477875
Energy: 0.1596028022019134
Energy: 0.1594133964206951
Energy: 0.1595638889027355
Energy: 0.018357402209765398
Energy: 0.1595190436477875
Energy: 0.16060186971135162
Energy: 0.018337880176886544
Energy: 0.15936749059895655
Energy: 0.16068304213212695
Energy: 0.018299999919168326
Energy: 0.15960280220096007
Energy: 0.018337880177216555
Energy: 0.018350276428432594
Energy: 0.15949813398844254
Energy: 0.018414823606779537
Energy: 0.595476031204593
Energy: 0.1594133964206951
Energy: 0.15936749059928657
Energy: 0.1594981339893959
Energy: 0.1594784563568973
Energy: 0.15955535673712437
Energy: 0.018385124309816137
Energy: 0.1595638889024055
Energy: 0.16068304213179693
Energy: 0.018414823606779537
Energy: 0.15955535673650098
Energy: 0.018567989785847897

minimum gb energy = 0.018022234558958617 eV
minimum distance =  2.48810433015694 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.659848837246891
Energy: 1.1229534923385858
Energy: 1.17217891139004
Energy: 1.0924281882965845
Energy: 1.1429566055564935
Energy: 1.171755852835744
Energy: 1.6149522759855752
Energy: 1.1216334397869272
Energy: 1.0797295852718067
Energy: 1.1238593312965468
Energy: 1.1192951321310856
Energy: 1.1300409019507651
Energy: 1.5635378530956168
Energy: 1.0970424646038126
Energy: 1.0952488624860826
Energy: 1.1371377889531744
Energy: 1.1195950587658394
Energy: 1.113979007916369
Energy: 1.6843864089972125
Energy: 1.1092862478669698
Energy: 1.0778858545930534
Energy: 1.0702245400652102
Energy: 1.1123903028376951
Energy: 1.0787715086345426
Energy: 1.5420967926892661
Energy: 1.0952921858691365
Energy: 1.1140220314167475
Energy: 1.1247963111469186
Energy: 1.0969816669656056
Energy: 1.13613553872513
Energy: 1.5224978697568028
Energy: 1.1141350404661419
Energy: 1.1361833501556482
Energy: 1.1205799705425954
Energy: 1.0990286104904425
Energy: 1.1307479213076563
Energy: 1.5228112897996373
Energy: 1.1092574591990763
Energy: 1.1105286458567638
Energy: 1.122655369198495
Energy: 1.0940364284212503
Energy: 1.1299587638817747
Energy: 1.3414786576113595
Energy: 1.0991273498574317
Energy: 1.1340893996072976
Energy: 1.0487872257634034
Energy: 1.1138216826222835
Energy: 1.1100785828526394
Energy: 1.2197113663020813
Energy: 1.1092920265243806
Energy: 1.13187978907682
Energy: 1.114579408964348
Energy: 1.1222630945567096
Energy: 1.1360589685243754
Energy: 1.2193869920899532
Energy: 1.141918674768772
Energy: 1.1397981759344054
Energy: 1.0960526713792023
Energy: 1.1256731052015287
Energy: 1.110692642769739
Energy: 1.2378426686192505
Energy: 1.0615749034783413
Energy: 1.0611625099913944
Energy: 1.1429194109685756
Energy: 1.0678198280088687
Energy: 1.092200927306503
Energy: 1.1183013209914185
Energy: 1.0709886091144545
Energy: 1.1015226606935695
Energy: 1.1185931966628246
Energy: 1.1345220252135977
Energy: 1.0850572430138017
Energy: 1.1189406747209039
Energy: 1.12464568790364
Energy: 1.131495811177361
Energy: 1.1189087687221981
Energy: 1.140731485560382
Energy: 1.0926212826895119
Energy: 1.2013545089636055
Energy: 1.0771134823032036
Energy: 1.0776245924350822
Energy: 1.107992778302119
Energy: 1.091872761268909
Energy: 1.0930420130650813
Energy: 1.1500302078086515
Energy: 1.1251614991557952
Energy: 1.1378955850969044
Energy: 1.0978787413356477
Energy: 1.124671739203021
Energy: 1.077655786875121
Energy: 1.1492249787292588
Energy: 1.0928511315175007
Energy: 1.1065364204302952
Energy: 1.0983923004057101
Energy: 1.0921106782596004
Energy: 1.114406572078857
Energy: 1.4189550075696638
Energy: 1.1026676677137934
Energy: 1.1101029492713996
Energy: 1.098620499745418
Energy: 1.1026002697138904
Energy: 1.079377124702232
Energy: 1.3593772787467242
Energy: 1.1411371821067955
Energy: 1.1393518039297708
Energy: 1.111004120398833
Energy: 1.1117536600887268
Energy: 1.139229707000871
Energy: 1.3630774388029323
Energy: 1.1400770846040917
Energy: 1.13909237516087
Energy: 1.1095729059244959
Energy: 1.1127467179641277
Energy: 1.1387214849217726
Energy: 1.479362555962323
Energy: 1.1105611100207302
Energy: 1.140169185762615
Energy: 1.1098861174173071
Energy: 1.1109417662604943
Energy: 1.138525356836209
Energy: 1.593812672924863
Energy: 1.0924853725207038
Energy: 1.0622061706844517
Energy: 1.0656069684423035
Energy: 1.1024210213850396
Energy: 1.0699135125073633
Energy: 1.6008461409981982
Energy: 1.1282427988246164
Energy: 1.1281691066686295
Energy: 1.1404154608260588
Energy: 1.126194239236149
Energy: 1.113022611575768
Energy: 1.6165003176975652
Energy: 1.0968949706209734
Energy: 1.07571920746108
Energy: 1.1367067284407255
Energy: 1.0966194272629664
Energy: 1.1357790998071824

minimum gb energy = 1.0487872257634034 eV
minimum distance =  2.30602058052336 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.967819940852407
Energy: 1.260049553339993
Energy: 1.1703433305369388
Energy: 1.16762870101461
Energy: 1.156447103650504
Energy: 1.260392044474283
Energy: 1.22406414016339
Energy: 1.1321292112080383
Energy: 1.1146743212217747
Energy: 1.1693648647955002
Energy: 1.1322377374683301
Energy: 1.1146871957339424
Energy: 1.2313404441388116
Energy: 1.1146019928894892
Energy: 1.147329715616218
Energy: 1.2263290844995254
Energy: 1.1336295765182351
Energy: 1.1580911392304705
Energy: 1.6104563005603776
Energy: 1.2779108385710687
Energy: 1.1414228583463923
Energy: 1.1773492568113384
Energy: 1.2411382066127652
Energy: 1.178154890308271
Energy: 1.3556497582077838
Energy: 1.1030154810461057
Energy: 1.133004086512194
Energy: 1.1621276755261727
Energy: 1.1339499977915137
Energy: 1.1760100173214882
Energy: 1.2413266899183375
Energy: 1.3001685938701546
Energy: 1.1596670219136456
Energy: 1.1747396934526706
Energy: 1.2898139432205709
Energy: 1.208067412364301
Energy: 1.2413037237908418
Energy: 1.2963845626669839
Energy: 1.3008118467402263
Energy: 1.220410733762578
Energy: 1.2151900899625483
Energy: 1.224515808148121
Energy: 1.236896904035147
Energy: 1.2203644859966352
Energy: 1.2195935544471868
Energy: 1.1651761675975498
Energy: 1.2212373549798876
Energy: 1.223256124344262
Energy: 1.2982374279571134
Energy: 1.218101999121618
Energy: 1.2288679220741878
Energy: 1.2428471397456538
Energy: 1.2149527173641632
Energy: 1.2375978907442446
Energy: 1.2977898370757353
Energy: 1.2253085321902337
Energy: 1.2253945740342767
Energy: 1.239404654294271
Energy: 1.2338810065470298
Energy: 1.219132045941469
Energy: 1.2452091978585926
Energy: 1.1255382815006854
Energy: 1.1260708483919055
Energy: 1.2359485975153208
Energy: 1.0787847623323563
Energy: 1.0778846125949724
Energy: 1.203892670321622
Energy: 1.154052455333443
Energy: 1.2005037953671052
Energy: 1.2036442613936404
Energy: 1.1457470216321464
Energy: 1.1967334649637498
Energy: 1.2031400257046392
Energy: 1.315466309853447
Energy: 1.2130589211495328
Energy: 1.2031571986357974
Energy: 1.2479312558926496
Energy: 1.1742694478131561
Energy: 1.3978016563214557
Energy: 1.1774267509370742
Energy: 1.1772911281294602
Energy: 1.3194136599784145
Energy: 1.1768794313847504
Energy: 1.1766180896195733
Energy: 1.2250549573012917
Energy: 1.306888495471357
Energy: 1.3076933382786304
Energy: 1.2250215195312553
Energy: 1.227769710251566
Energy: 1.2305777732422407
Energy: 1.3340722436304384
Energy: 1.284561899317227
Energy: 1.2847220937308588
Energy: 1.2963205732420375
Energy: 1.2185856342741113
Energy: 1.231077200071561
Energy: 1.3211844104106594
Energy: 1.2851775509486993
Energy: 1.2847879405933729
Energy: 1.2815825919659714
Energy: 1.2868947873593504
Energy: 1.28618590170659
Energy: 1.3948016645553067
Energy: 1.298559844508666
Energy: 1.2562892863454693
Energy: 1.2190576894820968
Energy: 1.2584613730394736
Energy: 1.2218461733045247
Energy: 1.2379282623316858
Energy: 1.3039429381312253
Energy: 1.3062768920377812
Energy: 1.218009181280559
Energy: 1.304609724150767
Energy: 1.3082225653742483
Energy: 1.4643989421911228
Energy: 1.301064388282512
Energy: 1.2983601457197707
Energy: 1.3034271951347853
Energy: 1.3020415801258014
Energy: 1.2949590311343429
Energy: 1.7150810917386305
Energy: 1.2289614245132265
Energy: 1.0779398935088893
Energy: 1.0785518983435705
Energy: 1.207444411063861
Energy: 1.0773579791359327
Energy: 1.2718737921389587
Energy: 1.2752600875255178
Energy: 1.2751570601367033
Energy: 1.1457986653828083
Energy: 1.2729978009917562
Energy: 1.2525310079739849
Energy: 1.3225880695402525
Energy: 1.2731491373696115
Energy: 1.273380950834852
Energy: 1.3070362541135234
Energy: 1.274892867428054
Energy: 1.3012420822595026
Energy: 1.6561734703805273
Energy: 1.29991035913775
Energy: 1.3420483355610304
Energy: 1.1765894808447737
Energy: 1.298523054432073
Energy: 1.2399593505993938
Energy: 1.2803810711095769
Energy: 1.299649940550572
Energy: 1.2962655212394012
Energy: 1.301568190271652
Energy: 1.2861767538433508
Energy: 1.3052630127007305
Energy: 1.2754775983925533
Energy: 1.2938846147334684
Energy: 1.2964995520251983
Energy: 1.3083235094592252
Energy: 1.2928360076647256
Energy: 1.2833163749838117
Energy: 1.6416419444650725
Energy: 1.2041939664472439
Energy: 1.191699485702738
Energy: 1.2317739862452108
Energy: 1.2801843116198093
Energy: 1.2880773545621342
Energy: 1.2256099798780036
Energy: 1.2186712208632522
Energy: 1.2188759809175411
Energy: 1.3184294230117037
Energy: 1.2184948638404383
Energy: 1.3017289320946486
Energy: 1.292973348672637
Energy: 1.2192666852078338
Energy: 1.219684582593878
Energy: 1.2399192113846895
Energy: 1.219013916695878
Energy: 1.228269940108074
Energy: 1.2926657384621065
Energy: 1.2367112880098368
Energy: 1.2355790824771846
Energy: 1.2314245258497816
Energy: 1.3222794419725936
Energy: 1.2312107970283088
Energy: 1.3171499604217838
Energy: 1.0777364190448406
Energy: 1.0779709205109622
Energy: 1.2187164508605604
Energy: 1.127764890182885
Energy: 1.1251925579680921
Energy: 1.2076350549158508
Energy: 1.074795132298435
Energy: 1.074910563222807
Energy: 1.2081564881789453
Energy: 1.1541707596180746
Energy: 1.1994533055774337
Energy: 1.209017241918002
Energy: 1.2341495984997506
Energy: 1.2215777749734575
Energy: 1.2089675921024907
Energy: 1.3228885721291128
Energy: 1.2002869849579394
Energy: 1.2146067813179964
Energy: 1.176226255657282
Energy: 1.1763508058165804
Energy: 1.215364621060754
Energy: 1.1760722313806202
Energy: 1.1771550804452442
Energy: 1.2364718511487653
Energy: 1.243548277020996
Energy: 1.2421169081408072
Energy: 1.2147718667291956
Energy: 1.2380209602815377
Energy: 1.2993000726026893
Energy: 1.3263516416546013
Energy: 1.2260800299184766
Energy: 1.2454469988668677
Energy: 1.2970211390756432
Energy: 1.3070135079971945
Energy: 1.298683616419265
Energy: 1.1980128732825353
Energy: 1.2979403469757582
Energy: 1.1418240388181513
Energy: 1.1625343412370632
Energy: 1.1389109477940147
Energy: 1.2962410795442063
Energy: 1.2390650086417812
Energy: 1.2452491336335494
Energy: 1.153820972883978
Energy: 1.217175712970564
Energy: 1.1633750666632425
Energy: 1.3108250002957076
Energy: 1.3942726977379833
Energy: 1.1625224509966106
Energy: 1.1651168304487658
Energy: 1.2203738292647053
Energy: 1.154992777994447
Energy: 1.2214947382126335
Energy: 1.3476524865371489
Energy: 1.161529645465575
Energy: 1.1427202836574284
Energy: 1.1637236302344085
Energy: 1.161754470097404
Energy: 1.1312129515419147
Energy: 1.1624564943765336
Energy: 1.1487288879269917
Energy: 1.0829901967540254
Energy: 1.0786231723314859
Energy: 1.1322710187497351
Energy: 1.1700434272159836

minimum gb energy = 1.074795132298435 eV
minimum distance =  2.29073224629602 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.7250950880971139
Energy: 1.1190101006568538
Energy: 1.1196975862751104
Energy: 1.1367471169529992
Energy: 1.1298885050437124
Energy: 1.1928006163124172
Energy: 1.4081534270234992
Energy: 1.1437913703776716
Energy: 1.143921834037724
Energy: 1.1010093244814516
Energy: 1.1435971832578038
Energy: 1.124183631541618
Energy: 1.5613521204046572
Energy: 1.144352714586759
Energy: 1.1441003944405361
Energy: 1.1589155179379487
Energy: 1.144389645886153
Energy: 1.1453244320966198
Energy: 1.5610017474997526
Energy: 1.1253440228307738
Energy: 1.1126254996650242
Energy: 1.134445712995676
Energy: 1.144135702264052
Energy: 1.1154257066261692
Energy: 1.3192375735081987
Energy: 1.1602818405757422
Energy: 1.1773103298571135
Energy: 1.138169082909779
Energy: 1.1573977890263274
Energy: 1.187412987108006
Energy: 1.319283168020936
Energy: 1.177864503254809
Energy: 1.1879835950913995
Energy: 1.1573686642641547
Energy: 1.175295558259635
Energy: 1.1875627228083707
Energy: 1.3189072893474838
Energy: 1.1279288478578595
Energy: 1.1770571432526011
Energy: 1.1578307661202432
Energy: 1.1011929018514008
Energy: 1.1758911240681909
Energy: 1.3416005312052022
Energy: 1.1081289183761356
Energy: 1.1074413256402789
Energy: 1.1314814561272346
Energy: 1.1089112504087046
Energy: 1.1073533561715998
Energy: 1.1444956624329563
Energy: 1.108036556813417
Energy: 1.1079540339878433
Energy: 1.1444367135231708
Energy: 1.1166718046901745
Energy: 1.1569162361275942
Energy: 1.1436038180981678
Energy: 1.1401923523692568
Energy: 1.1247516580621635
Energy: 1.1436259683531889
Energy: 1.139377741444804
Energy: 1.1439741195422586
Energy: 1.1893109509357627
Energy: 1.1105801921215284
Energy: 1.1098937226142027
Energy: 1.1289664765066008
Energy: 1.11092037032206
Energy: 1.1139594675362252
Energy: 1.18020489409107
Energy: 1.1397336657600465
Energy: 1.168704997205667
Energy: 1.1238380023018966
Energy: 1.1522493653629675
Energy: 1.124291756646585
Energy: 1.1795880873901463
Energy: 1.1312327465318524
Energy: 1.1427412750006831
Energy: 1.1548420165742206
Energy: 1.206186620086787
Energy: 1.1562943781715995
Energy: 1.1807622069692563
Energy: 1.1145084461719232
Energy: 1.1153741720969157
Energy: 1.125867321756276
Energy: 1.1138165868907268
Energy: 1.1166666852756701
Energy: 1.4076629229298405
Energy: 1.145101447908914
Energy: 1.1323692984714382
Energy: 1.1475964420395146
Energy: 1.1496647301123324
Energy: 1.1299933555130606
Energy: 1.408627083195809
Energy: 1.159541116642825
Energy: 1.1594269523443417
Energy: 1.1028890082037905
Energy: 1.1245934280986112
Energy: 1.1523790149686899
Energy: 1.455002876238651
Energy: 1.1574884116249722
Energy: 1.1576121858796817
Energy: 1.1604077422205399
Energy: 1.159897730986196
Energy: 1.1575040342210912
Energy: 1.7045299129740805
Energy: 1.1236530102726836
Energy: 1.123332866635485
Energy: 1.1140504132123168
Energy: 1.1445163701190042
Energy: 1.1327062736794367

minimum gb energy = 1.1010093244814516 eV
minimum distance =  2.27414680314747 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.460004870055498
Energy: 1.0910804484325105
Energy: 1.097014207904428
Energy: 1.1999760970479527
Energy: 1.062395407682324
Energy: 1.0901707126675495
Energy: 1.3863206441004596
Energy: 1.0631662794096133
Energy: 1.0627716967707144
Energy: 1.1108959251838857
Energy: 1.063202151352859
Energy: 1.062987184268525
Energy: 1.2525782839994115
Energy: 1.063272200754517
Energy: 1.0632174891598751
Energy: 1.1100976610794784
Energy: 1.0631034920856357
Energy: 1.0632246924066862
Energy: 1.245530856811165
Energy: 1.0631663174282784
Energy: 1.0635106649940513
Energy: 1.1012655677876777
Energy: 1.0624742574049344
Energy: 1.0634498386479998
Energy: 1.2093078814616138
Energy: 1.0621732013319043
Energy: 1.108853014188372
Energy: 1.110119020001247
Energy: 1.0618312815214594
Energy: 1.1111258455703008
Energy: 1.2541349339312218
Energy: 1.0280505740524761
Energy: 1.1087512737580913
Energy: 1.1121938624270213
Energy: 1.0277320961597427
Energy: 1.1100357749408925
Energy: 1.2547893401703
Energy: 1.1092487540838465
Energy: 1.1093844614587183
Energy: 1.1140591474339068
Energy: 1.0416029302694543
Energy: 1.109071357691311
Energy: 1.2102895997822596
Energy: 1.0348888724232888
Energy: 1.0339010673457956
Energy: 1.2118409853275849
Energy: 1.030863525507502
Energy: 1.028986680171835
Energy: 1.0632232179073153
Energy: 1.0340059499084113
Energy: 1.029044587280956
Energy: 1.061856728295985
Energy: 1.0346112467404847
Energy: 1.0274069874757314
Energy: 1.0649698573999147
Energy: 1.0631077030165383
Energy: 1.0628704952337922
Energy: 1.0630880971714725
Energy: 1.1148229404562242
Energy: 1.0629181608150888
Energy: 1.0623186263537487
Energy: 1.101970723703409
Energy: 1.1023916150756607
Energy: 1.0624241676461368
Energy: 1.1022410427368918
Energy: 1.0634523671175067
Energy: 1.2540469692910243
Energy: 1.1099771258158653
Energy: 1.1089207194069475
Energy: 1.062855104839737
Energy: 1.109836629655539
Energy: 1.0629379973381685
Energy: 1.0269018898989888
Energy: 1.1092413828688181
Energy: 1.110230188205288
Energy: 1.026944742282387
Energy: 1.1090709924219497
Energy: 1.1106846239525776
Energy: 1.2551218878926647
Energy: 1.111148430392535
Energy: 1.110161962080981
Energy: 1.0631371851393463
Energy: 1.110596601891149
Energy: 1.1096054567439915
Energy: 1.463274722126165
Energy: 1.062574140518642
Energy: 1.0627748682179112
Energy: 1.0348549497182444
Energy: 1.0626214636762703
Energy: 1.0276429731202192
Energy: 1.4628561274107286
Energy: 1.0646135066003029
Energy: 1.0284334316184038
Energy: 1.0274760630704989
Energy: 1.0636320682902538
Energy: 1.0333607506469469
Energy: 1.2561260153691176
Energy: 1.06295557331937
Energy: 1.0626432691852226
Energy: 1.110130947292119
Energy: 1.0630565735847433
Energy: 1.0626299357508675
Energy: 1.2420620123627617
Energy: 1.062623304392844
Energy: 1.0628493897575129
Energy: 1.1009058893955062
Energy: 1.0624264210528536
Energy: 1.0633296355903132
Energy: 1.2419535747734995
Energy: 1.062629790758047
Energy: 1.0628509579562615
Energy: 1.1004392995886583
Energy: 1.0631228398198476
Energy: 1.0630951468539036
Energy: 1.2552713279279097
Energy: 1.0277219696618092
Energy: 1.1104414551838644
Energy: 1.1100357140988624
Energy: 1.0276488486698723
Energy: 1.1087936337164208
Energy: 1.249640075952395
Energy: 1.10889799197983
Energy: 1.1100621490773133
Energy: 1.1082201526286037
Energy: 1.0619372241037826
Energy: 1.110105826538035
Energy: 1.2543323746288852
Energy: 1.109587857882321
Energy: 1.1093674469549233
Energy: 1.0633258609220975
Energy: 1.0423959314014186
Energy: 1.1089867129920106
Energy: 1.2114513882612954
Energy: 1.0279433939895026
Energy: 1.0287415549192216
Energy: 1.2123311646575623
Energy: 1.0277006366943116
Energy: 1.0954923991229204
Energy: 1.0631529782106195
Energy: 1.063518634751721
Energy: 1.0632860291638744
Energy: 1.0633236375428656
Energy: 1.0905111051538265
Energy: 1.063021914466414
Energy: 1.0630109902550942
Energy: 1.0703761760545045
Energy: 1.062967761325028
Energy: 1.0630685750681281
Energy: 1.110292218368332
Energy: 1.0631990874669996
Energy: 1.2128817510328043
Energy: 1.1004045042564248
Energy: 1.101319602907907
Energy: 1.2129778338653767
Energy: 1.1016629899384895
Energy: 1.0634805853149736
Energy: 1.2547252621883171
Energy: 1.1098152271602444
Energy: 1.1089992302856075
Energy: 1.061995679139301
Energy: 1.110947248140984
Energy: 1.1095693467286707
Energy: 1.0276412926538379
Energy: 1.111628317056439
Energy: 1.109175629713338
Energy: 1.0277249505911432
Energy: 1.1130971165387191
Energy: 1.1080405060527858
Energy: 1.2128021674356928
Energy: 1.1114296827737797
Energy: 1.1091049631591492
Energy: 1.0434448252709523
Energy: 1.1132856538009515
Energy: 1.1099772059940147
Energy: 1.4632810890531212
Energy: 1.0631034499801502
Energy: 1.0279779901100332
Energy: 1.029195672960056
Energy: 1.0628905757990585
Energy: 1.0281374560749394

minimum gb energy = 1.0269018898989888 eV
minimum distance =  2.35681982974165 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.2583803966470704
Energy: 1.2621262385527043
Energy: 1.2627889687602103
Energy: 1.1102012992252173
Energy: 1.0826807678013932
Energy: 1.2768106603422007
Energy: 1.134493085579952
Energy: 1.0831875219708054
Energy: 1.083621662236546
Energy: 1.045845116624968
Energy: 1.0831737893221935
Energy: 1.0250311781417085
Energy: 1.133550352871189
Energy: 1.0830517911255526
Energy: 1.0832463292253556
Energy: 1.0606294033255792
Energy: 1.0828520341008898
Energy: 1.0367453472333754
Energy: 0.9992559250694804
Energy: 1.0829423591928447
Energy: 1.0726765349932845
Energy: 1.027922892144565
Energy: 1.060487988951719
Energy: 1.0355509672366707
Energy: 1.261230438270354
Energy: 0.9834002095972636
Energy: 1.025010559316976
Energy: 1.0836497278472188
Energy: 0.9831676276339836
Energy: 1.0333321476153172
Energy: 1.0815940511508895
Energy: 0.9842078270014588
Energy: 0.9822936152447318
Energy: 1.0816994487143827
Energy: 0.9829341882073964
Energy: 0.9829584922107238
Energy: 1.084753619637593
Energy: 1.028004215085016
Energy: 1.0334355617216602
Energy: 1.0849473681760775
Energy: 1.0263642943975062
Energy: 1.0334628888810438
Energy: 1.0840146567794995
Energy: 1.0319021349944846
Energy: 1.0225244636566682
Energy: 1.0837742541125541
Energy: 1.0311681837123174
Energy: 1.046290857556778
Energy: 1.1344728664324129
Energy: 1.0344820494334264
Energy: 1.013147546918697
Energy: 1.0837723724848096
Energy: 1.0204607085229445
Energy: 1.0331163636310303
Energy: 1.1362614683202186
Energy: 1.0476423631978478
Energy: 1.0543140695149857
Energy: 1.053139842960827
Energy: 1.0264919297382191
Energy: 1.0574488869011232
Energy: 1.133523029225581
Energy: 1.0702468140563963
Energy: 1.070260857601462
Energy: 1.0843159040917028
Energy: 1.0712205388703833
Energy: 1.0632454948307501
Energy: 1.1336686486442216
Energy: 1.0844596054236073
Energy: 1.0329222290233449
Energy: 1.0676515441680703
Energy: 1.0826746190472063
Energy: 1.0256693515763646

minimum gb energy = 0.9822936152447318 eV
minimum distance =  2.3266458701324 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.012529878605899
Energy: 1.1593139938776371
Energy: 0.9202731190898927
Energy: 1.0679206617647705
Energy: 1.0173465456787898
Energy: 0.9204985955368712
Energy: 0.98856797081386
Energy: 0.9555721510226737
Energy: 0.9464169675014175
Energy: 0.9326699018680902
Energy: 0.9553207923703909
Energy: 0.9441232618968964
Energy: 0.9799065731437634
Energy: 0.9534685385609595
Energy: 0.9420768662280274
Energy: 0.961512438429356
Energy: 0.9535887496944232
Energy: 0.9468437735328163
Energy: 0.9799923772668455
Energy: 0.9348880721163515
Energy: 0.9168727838635129
Energy: 0.9486040693964796
Energy: 0.9834330420598066
Energy: 0.9169667836013824
Energy: 1.058652229839601
Energy: 0.9598151339688652
Energy: 0.9316969874962423
Energy: 0.9866048340015215
Energy: 0.9591133624311603
Energy: 0.958528026842223
Energy: 0.9902263264072393
Energy: 0.955449925421643
Energy: 0.9577588101359918
Energy: 0.9910524265588945
Energy: 0.9269467274558825
Energy: 0.8965068621919654
Energy: 0.9859185439766425
Energy: 0.9180239454448484
Energy: 0.9172684843303929
Energy: 0.9874029241496441
Energy: 0.951066184836428
Energy: 0.9993289005905966
Energy: 0.9722557436530402
Energy: 0.9626386787106977
Energy: 0.9736654400812288
Energy: 0.9724604623482701
Energy: 0.9469567570284176
Energy: 0.9141964831882611
Energy: 0.9700535535619242
Energy: 0.9722780876868463
Energy: 0.9862184004942297
Energy: 1.0004284692471763
Energy: 0.9723005149891625
Energy: 0.9866909271557924
Energy: 0.9031950682416852
Energy: 0.9625083271734896
Energy: 0.9183149772151769
Energy: 0.9235757371254605
Energy: 0.9886896797484105
Energy: 0.931070570584154
Energy: 0.9034277134582759
Energy: 0.9862645685358566
Energy: 0.9935772343214736
Energy: 0.92690448843996
Energy: 0.9860301982278779
Energy: 0.9554847635533484
Energy: 0.9658845267048606
Energy: 0.9866374623470583
Energy: 0.9867269425298818
Energy: 0.9349368518241615
Energy: 0.986506234172973
Energy: 0.9580462102593649
Energy: 1.7640059778075026
Energy: 1.102362509036878
Energy: 0.9417121996325623
Energy: 0.915169617717833
Energy: 0.9920445427030173
Energy: 0.9223662144992073
Energy: 1.066821462835482
Energy: 0.9861997299291462
Energy: 0.9592709699189467
Energy: 0.9346889853246525
Energy: 0.9867746969658949
Energy: 0.9566513626217158
Energy: 0.9561536790447552
Energy: 0.9692622978021495
Energy: 0.9679620525135869
Energy: 0.9559983549628076
Energy: 0.9714029389358512
Energy: 0.9756326133987033
Energy: 0.9549913595752331
Energy: 0.9291135925903091
Energy: 0.9412796456568238
Energy: 0.9543382195202567
Energy: 0.977232509891178
Energy: 0.9640027288313114
Energy: 0.9534307762701554
Energy: 0.9321368278048024
Energy: 0.9152130244400947
Energy: 0.9532599235194222
Energy: 0.9322105169341346
Energy: 0.9411681985579794
Energy: 0.9805881473405702
Energy: 0.9412592774305322
Energy: 0.9401384362035704
Energy: 0.953225889836599
Energy: 0.9506206218188512
Energy: 0.946610210560694
Energy: 0.980817119306335
Energy: 0.9375179990094834
Energy: 0.9364479718666057
Energy: 0.9543220544475169
Energy: 0.9404370868668311
Energy: 0.9289643819958963
Energy: 0.979427196557104
Energy: 0.9433815927354366
Energy: 0.9454213232149841
Energy: 0.9405377259281282
Energy: 0.9409631612946457
Energy: 0.9341869918463407
Energy: 0.9796234165164763
Energy: 0.9613751917524613
Energy: 0.9406344914587318
Energy: 0.9603307763797421
Energy: 0.9558199253821967
Energy: 0.9314831952931402
Energy: 1.038940846149191
Energy: 0.9548110956210663
Energy: 0.9920494577468462
Energy: 0.9606849831933573
Energy: 0.9547858096764672
Energy: 0.9040974819458298
Energy: 1.035147237208346
Energy: 0.9553612834629926
Energy: 0.9521544809192222
Energy: 0.9600478380022631
Energy: 0.9556402107194717
Energy: 0.8910594008501448
Energy: 0.9796020029136204
Energy: 0.9555262198476463
Energy: 0.9559469989238845
Energy: 0.9792390394080499
Energy: 0.9547516306945466
Energy: 0.9635585594435091
Energy: 1.2844246717452392
Energy: 0.9542090404064522
Energy: 0.9913352247862097
Energy: 0.9697843808719274
Energy: 0.9538940140109673
Energy: 0.9748783944206475
Energy: 0.978368250555258
Energy: 0.9345528247701668
Energy: 0.9166007545903716
Energy: 0.9866884680141463
Energy: 0.9343157827784743
Energy: 0.95867075696001
Energy: 0.9372416608171574
Energy: 0.9428343307024528
Energy: 0.9454772551838652
Energy: 0.9378663233543137
Energy: 0.9328494280567226
Energy: 0.9209935390279984
Energy: 0.986355762510763
Energy: 0.9169102458990064
Energy: 0.9173587164332867
Energy: 0.9864452499830976
Energy: 0.9353353985715399
Energy: 0.9875296580224232
Energy: 0.9875611726156583
Energy: 0.9630694450605555
Energy: 0.9175671587043607
Energy: 0.9879329979208922
Energy: 0.9718196892906172
Energy: 0.9985829073871211
Energy: 0.967125249203744
Energy: 0.9615426403645149
Energy: 0.9180200234244335
Energy: 0.9795861307340611
Energy: 0.9472355738982868
Energy: 0.9165150627216397
Energy: 0.903458415047585
Energy: 0.9717977724710332
Energy: 0.9847152485584526
Energy: 0.9723444094396997
Energy: 0.9721055195702251
Energy: 1.0065798307259566
Energy: 0.9101400081896023
Energy: 0.9722046158583377
Energy: 0.9358336085440163
Energy: 0.924095484922126
Energy: 0.9722668246018585
Energy: 0.9308559090570762
Energy: 1.1671699752309193
Energy: 0.9869619099606717
Energy: 0.9867930029475694
Energy: 0.9905960027053852
Energy: 0.9870683968194368
Energy: 0.9210400602323862
Energy: 0.9760049008752515
Energy: 0.9860630564739291
Energy: 0.9860676978211964
Energy: 0.9523512213009545
Energy: 0.9858868211168607
Energy: 0.9149282484979704
Energy: 0.9706580752816744
Energy: 0.9863606379691784
Energy: 1.0118791779432579
Energy: 0.9518959402765457
Energy: 0.9865568270283832
Energy: 0.9574012675604834
Energy: 0.9737513176367021
Energy: 0.9664156342438908
Energy: 0.9734364066287245
Energy: 0.9881958228016531
Energy: 0.9695125527450726
Energy: 0.916515398331603
Energy: 0.9543884154900225
Energy: 0.9767903420774718
Energy: 0.9555156890015541
Energy: 0.9556855150651338
Energy: 0.9836798965280776
Energy: 0.9638624410969497
Energy: 0.9537378304581815
Energy: 0.9376811922817538
Energy: 0.9341574934275159
Energy: 0.9537594045337874
Energy: 0.9349017822097826
Energy: 0.954379601142352
Energy: 1.0051561551837318
Energy: 0.9281025350001395
Energy: 0.9212726198344652
Energy: 1.0047951125217685
Energy: 0.9283255918246384
Energy: 1.101469619697306
Energy: 0.9786191490404239
Energy: 0.9368490425733742
Energy: 0.933182694127152
Energy: 0.9534351558269589
Energy: 0.9364898237213731
Energy: 0.9297766515973312
Energy: 0.9783075314621007
Energy: 0.9426575494996845
Energy: 0.9366696807585324
Energy: 0.9388526433892391
Energy: 0.942594835297875
Energy: 0.9441183134358605
Energy: 0.9809769125922778
Energy: 0.9439631484228462
Energy: 0.9398760916969201
Energy: 0.953154623944429
Energy: 0.9424962894793923
Energy: 0.936641755389754
Energy: 1.035474406666647
Energy: 0.9555824563116905
Energy: 0.9380883015321444
Energy: 0.9601321931569493
Energy: 0.9554584394339237
Energy: 0.8910416197025364

minimum gb energy = 0.8910416197025364 eV
minimum distance =  2.31139100680696 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.7847701498810832
Energy: 0.7420037646992049
Energy: 0.5119254997109048
Energy: 0.4740130988621826
Energy: 0.8135356481543974
Energy: 0.7864369159742665
Energy: 0.7859042336391152
Energy: 0.8716654535701968
Energy: 0.7764188372689502
Energy: 0.8702639063403967
Energy: 0.8711534795223517
Energy: 0.8131130509278474
Energy: 1.0521957057161364
Energy: 0.8730828060768441
Energy: 0.8525803731062012
Energy: 0.8068517809890167
Energy: 0.8699444782079421
Energy: 1.0444001716969469
Energy: 1.0525639352284561
Energy: 1.0099946967413274
Energy: 0.977872237869295
Energy: 1.0033837248439432
Energy: 0.9886629330807261
Energy: 0.9828799851420447
Energy: 1.0500466521675267
Energy: 0.6375471875259789
Energy: 0.6404519334337102
Energy: 0.9843749039260804
Energy: 0.47249101676092004
Energy: 0.9561429374133231
Energy: 1.0024592248963242
Energy: 0.6339724240356257
Energy: 0.6318003791635459
Energy: 1.003079902179441
Energy: 0.47211089083222063
Energy: 0.5115097951961505
Energy: 1.0463105023513724
Energy: 0.9853020326597114
Energy: 0.9777570956510563
Energy: 1.0505968588069292
Energy: 0.9921379783724062
Energy: 0.9789172276272874
Energy: 1.0851134823992947
Energy: 1.0467827506216911
Energy: 0.9799362545941345
Energy: 1.0853479948738882
Energy: 1.053822708434488
Energy: 1.0545920804719957
Energy: 1.0701588009482366
Energy: 1.071754483586678
Energy: 1.0556508889923355
Energy: 1.082050502073351
Energy: 1.0838678701690212
Energy: 1.06387333181857
Energy: 0.47178716447150726
Energy: 1.071272103098368
Energy: 0.4747725791054934
Energy: 0.4718997678295157
Energy: 1.12541358217495
Energy: 0.5180215145950465
Energy: 0.4717238535540684
Energy: 1.0835015744537353
Energy: 1.085035521880018
Energy: 0.4720927455364267
Energy: 1.0655500878064537
Energy: 0.4751657261285958
Energy: 1.0731895754734992
Energy: 1.082643964090026
Energy: 1.0646806381929843
Energy: 1.0432867850640668
Energy: 1.0716145054210324
Energy: 1.049450984419558
Energy: 1.0269789848459097
Energy: 1.0156168178175844
Energy: 1.0171426482247814
Energy: 1.0604847780874895
Energy: 1.0614054441747123
Energy: 1.092397663393315
Energy: 1.0926967286887856
Energy: 1.0155572534118424
Energy: 1.0185978261236897
Energy: 0.9990684222292765
Energy: 1.014745485267159
Energy: 0.9539120428066525
Energy: 1.030614253407162
Energy: 0.47259422707192933
Energy: 0.47331688605165795
Energy: 0.9809116461566377
Energy: 0.6328922727450739
Energy: 0.6451036952917426
Energy: 1.0015802174870294
Energy: 0.976505939990452
Energy: 0.9815714837663911
Energy: 1.0043030559102888
Energy: 0.6309033000279858
Energy: 0.9567440362996971
Energy: 1.0470186897642564
Energy: 1.017073872066795
Energy: 0.977050097161589
Energy: 1.0037876376051522
Energy: 1.0535045193327546
Energy: 1.0129444644060015
Energy: 1.052201738287472
Energy: 1.0429688314245116
Energy: 0.8450288863465526
Energy: 0.7778874343678276
Energy: 0.8680056807103118
Energy: 0.8632657645362538
Energy: 0.7858000557503154
Energy: 0.7761649676235269
Energy: 0.7756659728843237
Energy: 0.47213585929833846
Energy: 0.923677693539602
Energy: 0.7755043037090533

minimum gb energy = 0.4717238535540684 eV
minimum distance =  2.33023158993362 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.667941820877847
Energy: 0.7942791350381064
Energy: 0.9295728892236503
Energy: 0.9040305228525206
Energy: 0.9470359090758865
Energy: 0.9335609422471067
Energy: 0.8072987134161319
Energy: 0.8280988931402047
Energy: 0.8176393367234689
Energy: 0.8017068873794175
Energy: 0.7869078279372372
Energy: 0.7926871626675264
Energy: 0.790065336264864
Energy: 0.8077304477120828
Energy: 0.7978890684768113
Energy: 0.7917114564765938
Energy: 0.7877116640775004
Energy: 0.7972760933049395
Energy: 0.7892492104853034
Energy: 0.8189489766117588
Energy: 0.8232535231321727
Energy: 0.7908036001343591
Energy: 0.7923280335710086
Energy: 0.7989091644767551
Energy: 0.7873645046201169
Energy: 0.9059497668461989
Energy: 0.8498139426599841
Energy: 0.812635521182578
Energy: 0.8136875015526774
Energy: 0.7991077708565852
Energy: 0.8464306707612536
Energy: 0.8632233784783131
Energy: 0.8557061651728796
Energy: 0.8157401262659488
Energy: 0.8184105297900269
Energy: 0.839509225044518
Energy: 0.8463650484724125
Energy: 0.7994588336809706
Energy: 0.8054746216626353
Energy: 0.7877952916876119
Energy: 0.8020890248987678
Energy: 0.803343662975931
Energy: 0.8087498277678876
Energy: 0.8087459868489049
Energy: 0.8117947400636003
Energy: 0.808576131122957
Energy: 0.8081649225997644
Energy: 0.8135485673728811
Energy: 0.8487426680164214
Energy: 0.8105741335236241
Energy: 0.7955178449492559
Energy: 0.8320319925626642
Energy: 0.789349527722214
Energy: 0.8045551991705974
Energy: 1.0624835492768796
Energy: 0.8513938046642693
Energy: 0.8399147453758137
Energy: 0.7952850936558573
Energy: 0.8330281329775343
Energy: 0.8563889139790908
Energy: 0.8986092925445361
Energy: 0.8423995941093033
Energy: 0.8400272544477997
Energy: 0.8101938898666793
Energy: 0.858892690520461
Energy: 0.9137882843159272
Energy: 0.9687585295472954
Energy: 0.76346483855526
Energy: 0.7930272208597254
Energy: 0.876094864064959
Energy: 0.7692207752709374
Energy: 0.8110692926326019
Energy: 0.9167367136081748
Energy: 0.7637083284475299
Energy: 0.7657594644272834
Energy: 0.8112034808075764
Energy: 0.7719301224075341
Energy: 0.8118605445598136
Energy: 0.9167246979060262
Energy: 0.8992603293944867
Energy: 0.9107084404927329
Energy: 0.8171195453708192
Energy: 0.8482159292260032
Energy: 0.909926038246443
Energy: 0.9191733011707599
Energy: 0.8314874249082377
Energy: 0.8410347650536489
Energy: 0.8513742913904
Energy: 0.8124506820123116
Energy: 0.8475405779205097
Energy: 1.1402184174465737
Energy: 0.9006016622089462
Energy: 0.9099553142304935
Energy: 0.8478721146448288
Energy: 0.9123586018065284
Energy: 0.911738678296577
Energy: 1.2026801041776407
Energy: 0.8586853176667849
Energy: 0.8193040663016807
Energy: 1.0806795068023578
Energy: 0.8727009374116996
Energy: 0.7967464108895641
Energy: 1.4055835073670373
Energy: 0.8521227066728825
Energy: 0.8335359839621171
Energy: 0.810493825388969
Energy: 0.8482439667936649
Energy: 0.9104956628817641
Energy: 1.145314261529021
Energy: 0.8147295608135862
Energy: 0.8186103876743209
Energy: 0.7886968468805888
Energy: 0.8098062056255309
Energy: 0.8094204421378226
Energy: 1.0193631478288314
Energy: 0.9515073294439076
Energy: 0.8107163442692851
Energy: 0.985157883553133
Energy: 0.813293475713375
Energy: 0.8116716627615004
Energy: 1.1397308156176578
Energy: 0.9111874289109
Energy: 0.8503183039665371
Energy: 0.8539043879505208
Energy: 0.894791085014603
Energy: 0.8478301037447075
Energy: 1.1073349754974675
Energy: 0.7971710859892173
Energy: 0.8564175963613728
Energy: 1.1562269783972536
Energy: 0.7865604502832232
Energy: 0.8851357162490603
Energy: 0.7897305238535461
Energy: 0.8629959092304735
Energy: 0.8516693907739795
Energy: 0.7907787144417112
Energy: 0.8113083404899938
Energy: 0.8476410712405242
Energy: 0.7877406453980637
Energy: 0.7967844580639231
Energy: 0.7988334665035746
Energy: 0.7881138764117905
Energy: 0.7947094768459323
Energy: 0.7991506568924869
Energy: 0.9097228545727863
Energy: 0.7981373153034594
Energy: 0.8013230503296929
Energy: 0.8477569137403951
Energy: 0.7909987610449053
Energy: 0.8045420206141348
Energy: 0.8902069540500519
Energy: 0.7993412275727383
Energy: 0.7967044569778667
Energy: 0.8086793794416921
Energy: 0.8145244868082137
Energy: 0.7647173656512857

minimum gb energy = 0.76346483855526 eV
minimum distance =  2.32579357586796 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.5974831434885646
Energy: 0.9027484766921843
Energy: 0.9035010761212293
Energy: 0.9810986663998095
Energy: 1.1150728888599692
Energy: 0.9806891381867153
Energy: 0.883692072375481
Energy: 0.8588603716015617
Energy: 0.8768468130127098
Energy: 0.8576145684547709
Energy: 0.8528135919988216
Energy: 0.857669046988444
Energy: 0.8532085382902098
Energy: 0.8675572184519972
Energy: 0.8581111493884506
Energy: 0.8534905760948162
Energy: 0.8543957440830445
Energy: 0.8575082517799648
Energy: 0.852782099925125
Energy: 0.8771230162126854
Energy: 0.8753961346724096
Energy: 0.852983065527159
Energy: 0.8556609765388331
Energy: 0.8740998309131688
Energy: 0.8515499624312639
Energy: 0.8920365021027112
Energy: 0.8909329590973653
Energy: 0.8825724515371214
Energy: 0.8584713951779284
Energy: 0.8768719473817221
Energy: 0.9439483336129707
Energy: 0.8762541598555615
Energy: 0.8609794047350857
Energy: 0.8825442018328731
Energy: 0.8704306399139575
Energy: 0.8833551896505106
Energy: 0.9462013238253147
Energy: 0.8555898339028664
Energy: 0.872072797428164
Energy: 0.8528246444504264
Energy: 0.8808918765774472
Energy: 0.8744982984059672
Energy: 0.8847419713390974
Energy: 0.9024698875948434
Energy: 0.9045442384429325
Energy: 0.8866194876649544
Energy: 0.9023532870028508
Energy: 0.839763819641911
Energy: 0.9450305308427499
Energy: 0.8629068178670829
Energy: 0.873334462000706
Energy: 0.8872078509633609
Energy: 0.8577317041369686
Energy: 0.8784260403903023
Energy: 1.1933931742270745
Energy: 0.8884887271616279
Energy: 0.8593372104570294
Energy: 1.0507018027475334
Energy: 0.8886821101181324
Energy: 0.8756371190488745
Energy: 0.9459299968687677
Energy: 0.8848624318272331
Energy: 0.8755472186255026
Energy: 0.8538853325067215
Energy: 0.8891898973453465
Energy: 0.8750602126684547
Energy: 0.9884045632917677
Energy: 0.8178966950542657
Energy: 0.8167756785330342
Energy: 0.887006025976244
Energy: 0.8180895257588628
Energy: 0.8749673203867221
Energy: 0.8574103165115707
Energy: 0.8173456201006004
Energy: 0.817315374853163
Energy: 0.8889839502000352
Energy: 0.8177575132368999
Energy: 0.8216875374579874
Energy: 0.8582491688941348
Energy: 0.8869234558199195
Energy: 0.8786586554475297
Energy: 0.8580437529660079
Energy: 0.8964757226922041
Energy: 0.8585879322350185
Energy: 0.9042340170937697
Energy: 0.8607282968142644
Energy: 0.9037781561274004
Energy: 0.9043116135471244
Energy: 0.8581677975172674
Energy: 0.905688227313977
Energy: 0.8513843128024711
Energy: 0.8755645978601801
Energy: 0.8744807099554016
Energy: 0.8789913287233783
Energy: 0.8533266670574657
Energy: 0.857781808693178
Energy: 1.5016045288167998
Energy: 0.8901922254097031
Energy: 0.8768969254929219
Energy: 0.8971531546280216
Energy: 0.9089695275467286
Energy: 0.9020525956274474
Energy: 0.8837149263639517
Energy: 0.8861042016878813
Energy: 0.8877459929653237
Energy: 0.8933946275313968
Energy: 0.8839902014234703
Energy: 0.8380985309499805
Energy: 0.8538334690455973
Energy: 0.855786946552364
Energy: 0.8616666190147697
Energy: 0.8548113858190818
Energy: 0.8534411523137808
Energy: 0.8589400086079736
Energy: 0.8529156525892407
Energy: 0.8674773208129658
Energy: 0.859197437942491
Energy: 0.8531411429019856
Energy: 0.8554318932329827
Energy: 0.8576187806966856
Energy: 0.8511617413733696
Energy: 0.8594676502226776
Energy: 0.8574528416096223
Energy: 0.8518325107703729
Energy: 0.8647922777122911
Energy: 0.8571964491235868
Energy: 0.9596594347302407
Energy: 0.8911869802415873
Energy: 0.9378322550519917
Energy: 0.9958969449886284
Energy: 1.0795740644871086
Energy: 0.9363108853588569
Energy: 0.9452819115136469
Energy: 0.8544973347216003
Energy: 0.860773271248939
Energy: 0.8520253278824009
Energy: 0.8585167977211354
Energy: 0.8737051238451667
Energy: 0.8846564603054067
Energy: 0.9050900812962233
Energy: 0.8609238501036477
Energy: 0.8864653114231545
Energy: 0.9059330060310937
Energy: 0.8207515471030625
Energy: 0.9463833656653404
Energy: 0.8563107027792533
Energy: 0.8621257661106413
Energy: 0.8834697458298043
Energy: 0.8588619085120455
Energy: 0.8741867041912308
Energy: 0.946145966037597
Energy: 0.8855387792016798
Energy: 0.8863214135690758
Energy: 0.8534538150752423
Energy: 0.8878589551534825
Energy: 0.889237696856952
Energy: 1.1945258989208862
Energy: 0.8893813537621602
Energy: 0.8598952663162573
Energy: 0.8524509699207161
Energy: 0.8890178915446856
Energy: 0.874784417426682
Energy: 0.9426775445181962
Energy: 0.8675445123827131
Energy: 0.8917131087444717
Energy: 0.8879097747258008
Energy: 0.8470605541157284
Energy: 0.8776926774924282
Energy: 0.8588395081311833
Energy: 0.8974913277325939
Energy: 0.8973802148647372
Energy: 0.8902287575150354
Energy: 0.8977710511733459
Energy: 0.899577509194082
Energy: 0.9562652547559818
Energy: 0.8919322806579353
Energy: 0.8766621281631677
Energy: 0.9565540260767649
Energy: 0.8933904690637288
Energy: 0.8764518464142227
Energy: 0.8564626488848938
Energy: 0.8584423071613636
Energy: 0.8573832515894693
Energy: 0.8564143448038348
Energy: 0.8557197718238354
Energy: 0.8584411680218815
Energy: 0.8522001080590897
Energy: 0.8644765391418374
Energy: 0.8742069152813533
Energy: 0.8622496315073838
Energy: 0.8544002860177082
Energy: 0.8600319350645788
Energy: 1.502206337440925
Energy: 0.893475998193457
Energy: 0.8781530128324966
Energy: 0.8210993099083836
Energy: 0.8859663692146049
Energy: 0.8566934178738899

minimum gb energy = 0.8167756785330342 eV
minimum distance =  2.33820758325945 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.1565369942445651
Energy: 1.1304089736352667
Energy: 0.9160397962639016
Energy: 1.0927746607170725
Energy: 1.022774815629269
Energy: 0.9801840334874058
Energy: 1.0130850057750356
Energy: 0.9291273587751637
Energy: 0.9554477610450626
Energy: 0.961457651667552
Energy: 0.9266878452790706
Energy: 0.9251859242555243
Energy: 1.0148171405423339
Energy: 0.9955421028161335
Energy: 0.9334578704506817
Energy: 1.0301383669685173
Energy: 0.9313791606539679
Energy: 1.0056506808857653
Energy: 1.0197031208428717
Energy: 0.9605900534068089
Energy: 1.0101929694437568
Energy: 1.0281099990198528
Energy: 0.938686869162378
Energy: 0.9280524982698375
Energy: 1.0156740558195956
Energy: 0.9636732031133074
Energy: 1.0091795828601564
Energy: 1.0275795242004058
Energy: 0.9925732485668392
Energy: 0.9740975380153442
Energy: 1.2084939566264319
Energy: 0.988625570424622
Energy: 0.9292999646617254
Energy: 1.038654590959051
Energy: 0.9615814219619184
Energy: 0.9603689777289831
Energy: 1.0748791513892686
Energy: 0.9498026206520132
Energy: 0.929043649246377
Energy: 1.0126507796705329
Energy: 0.981958236070016
Energy: 1.0106486839368825
Energy: 1.0326866429501962
Energy: 1.0617940843824165
Energy: 0.9660744410815963
Energy: 0.9571176204681042
Energy: 1.111455221545573
Energy: 0.9616960797973201
Energy: 1.0744707755698315
Energy: 0.9788152690990938
Energy: 0.9955450742863614
Energy: 1.076275287516203
Energy: 0.9820231618931169
Energy: 0.9806567757072122
Energy: 1.0782424381423652
Energy: 1.009716829141267
Energy: 1.009734784995913
Energy: 1.0260262904622968
Energy: 1.0423539604930687
Energy: 1.0194386580237427
Energy: 1.0723900452281256
Energy: 0.9796420257308492
Energy: 1.0069311073705507
Energy: 1.02994236897628
Energy: 1.0034893325976955
Energy: 1.0050140761475121
Energy: 1.1294380516808014
Energy: 0.8781372076686234
Energy: 0.8776844665768858
Energy: 1.0276635975861332
Energy: 0.8782128117127801
Energy: 0.8771011893419771
Energy: 1.090973027441435
Energy: 0.8781353746836681
Energy: 0.877010214137342
Energy: 1.0908735699048542
Energy: 0.8784598189980092
Energy: 0.8761077109995081
Energy: 1.0305419325041687
Energy: 1.0087675954528004
Energy: 1.005099487188448
Energy: 1.0279466751198845
Energy: 1.0154505010483903
Energy: 0.9983647550124035
Energy: 0.930835793681053
Energy: 1.0112095484568147
Energy: 1.0117852883168579
Energy: 1.0224387894764437
Energy: 1.0104593507659354
Energy: 1.0376004726368315
Energy: 1.0282037691675172
Energy: 1.0356083673204337
Energy: 1.0144539886894
Energy: 1.0389360644936891
Energy: 1.0312369879456547
Energy: 1.0089106314355658
Energy: 1.4592395915151812
Energy: 1.0815952613789928
Energy: 0.9578332897132741
Energy: 0.9586417938375864
Energy: 1.1356497217328172
Energy: 0.9591201987876191
Energy: 1.0373110556461846
Energy: 1.0861249454181376
Energy: 0.9929016131207082
Energy: 0.9916222625344766
Energy: 1.072706092990662
Energy: 0.9923382033951613
Energy: 1.0997716536907716
Energy: 0.9272847680410433
Energy: 0.9271046963551225
Energy: 1.0370007016046185
Energy: 0.9993328798696239
Energy: 1.019824084527327
Energy: 0.9825008804196071
Energy: 0.9269990889596397
Energy: 0.9277284864908084
Energy: 0.982415660415198
Energy: 0.9327709295271963
Energy: 1.0238363673828537
Energy: 0.9809197166582119
Energy: 0.9730289479420616
Energy: 0.9942388537105371
Energy: 0.9798978308560669
Energy: 1.045561116318649
Energy: 1.0123496882694067
Energy: 1.0852407088404288
Energy: 1.024244275566489
Energy: 1.0242556623460732
Energy: 1.0852921946342984
Energy: 1.0226691495134028
Energy: 1.085248954314668
Energy: 1.0324294897682524
Energy: 1.003263169608044
Energy: 1.0296063937107502
Energy: 0.9748583342342756
Energy: 1.0250650317550336
Energy: 1.0060771372867452
Energy: 0.9753462316165848
Energy: 1.0785962744588495
Energy: 0.8778643422306213
Energy: 0.8767509833488872
Energy: 1.1302409679934242
Energy: 0.877171403059426
Energy: 0.9746474079478606
Energy: 1.004174534750814
Energy: 1.03560478431868
Energy: 0.8801522331836631
Energy: 1.0273540345792704
Energy: 1.0105278626504857
Energy: 1.0313606258686154
Energy: 1.0248153702781546
Energy: 1.008110767130228
Energy: 1.0322838651923003
Energy: 1.0231963231619148
Energy: 1.0119919782976348
Energy: 1.0314908730262917
Energy: 1.0082542978828088
Energy: 1.0175792623119875
Energy: 1.0313565736053099
Energy: 1.03010086493026
Energy: 1.0121842428103356
Energy: 1.0287146790272375
Energy: 0.9892214530500979
Energy: 1.026431501486802
Energy: 1.0292047829832933
Energy: 0.9889094922763499
Energy: 1.0112124255189292
Energy: 1.1416674122328998
Energy: 0.9674245216953128
Energy: 0.9692533066392656
Energy: 1.1340784882954136
Energy: 0.962412560465512
Energy: 0.9603362624025693
Energy: 1.1450395721840374
Energy: 1.0138093536237338
Energy: 1.0320418107371414
Energy: 1.044688265862899
Energy: 0.9960324419603523
Energy: 1.0412223894529842
Energy: 1.0337178251556578
Energy: 1.0513199796441244
Energy: 0.9631045930544817
Energy: 0.9293613184774923
Energy: 1.0711451510358119
Energy: 0.9627555363102162
Energy: 1.0750213105826347
Energy: 0.9791284907460152
Energy: 0.987096896505769
Energy: 1.0836350060922717
Energy: 0.9837015256461901
Energy: 0.9875224285785319
Energy: 1.1554116799444432
Energy: 1.0148543653545112
Energy: 1.0104595266980814
Energy: 1.0267701882885485
Energy: 1.0561266950215824
Energy: 1.0163674909585958
Energy: 1.155220961600112
Energy: 1.0162474664987353
Energy: 1.009789478448982
Energy: 1.0342517747531672
Energy: 0.9820192497467164
Energy: 1.0073693065141873
Energy: 1.0771934316259508
Energy: 0.9065863026795714
Energy: 0.8765096448494843
Energy: 1.026307740264224
Energy: 0.8835082988474042
Energy: 1.0052924202592164
Energy: 1.091953200572301
Energy: 0.8782033845286153
Energy: 0.8776272299596719
Energy: 1.090358603653088
Energy: 0.8786786132277041
Energy: 0.8765850258514412
Energy: 1.0279770218009245
Energy: 1.031287161886235
Energy: 1.001770852623706
Energy: 1.025590982622251
Energy: 1.0053937658395071
Energy: 0.9978482126794563
Energy: 0.9777625142619555
Energy: 1.0110598608172352
Energy: 1.0148131203303585
Energy: 0.980964853216889
Energy: 1.0110040396031676
Energy: 1.0477286120421905
Energy: 1.0283433512476479
Energy: 1.0365590828883946
Energy: 1.0103453944067788
Energy: 1.0098500727024513
Energy: 1.0336114428392627
Energy: 1.0096134195532245
Energy: 1.4589908554020197
Energy: 1.0856404910702644
Energy: 0.9969071179167439
Energy: 0.9616389873569426
Energy: 1.0285430320095235
Energy: 0.9585683439114714
Energy: 1.1178176776456448
Energy: 1.0139469347294432
Energy: 0.9407808699988057
Energy: 0.9952637655916837
Energy: 1.0113321102347286
Energy: 0.9966702012847666
Energy: 1.0217879703991548
Energy: 0.9451054200891341
Energy: 0.9263665650618264
Energy: 1.0331518817221514
Energy: 1.027777022017746
Energy: 1.016415816622193
Energy: 0.9682470000128999
Energy: 0.9263662599753706
Energy: 0.929326983284023
Energy: 0.9063034424314516
Energy: 0.9306642407084859
Energy: 0.9301661465546378
Energy: 0.9627226373137541
Energy: 0.8969011202232081
Energy: 0.9774654387350584
Energy: 0.9776585114061643
Energy: 0.8976646069491124
Energy: 0.9264717114768186
Energy: 1.0608017239005139
Energy: 1.0066249101856755
Energy: 0.9617278492410323
Energy: 1.078535542913361
Energy: 0.9299655168673522
Energy: 1.0646513348510134
Energy: 1.0127020404595042
Energy: 0.9291515334616705
Energy: 0.9578525257712633
Energy: 0.9114052697502677
Energy: 0.9287381469703815
Energy: 0.9573884994429482
Energy: 1.4439563347530227
Energy: 0.9076588718189171
Energy: 0.8765695649522399
Energy: 0.8782159680654521
Energy: 1.0408531254829627
Energy: 0.9402866154589083

minimum gb energy = 0.8761077109995081 eV
minimum distance =  2.3313392265326 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.2685563474741852
Energy: 0.962463407862749
Energy: 0.9619808586516407
Energy: 0.9597701982952301
Energy: 1.0035472052204522
Energy: 0.9610163702491594
Energy: 1.0632561103141887
Energy: 0.9590636884947147
Energy: 0.9575743478793732
Energy: 0.9604412220169982
Energy: 0.9654458750506428
Energy: 0.9568510424232737
Energy: 0.9967349689520003
Energy: 0.9163237586315169
Energy: 0.9594506753999803
Energy: 0.9582671658774576
Energy: 0.9149818264639522
Energy: 0.9593994373447692
Energy: 0.9972141334595102
Energy: 0.9583211504037835
Energy: 0.960022613959042
Energy: 0.9764339259117576
Energy: 0.9584294449419123
Energy: 0.9600591888939649
Energy: 0.9937008878312055
Energy: 0.9595289617173037
Energy: 0.9594969058020185
Energy: 0.9944532527249796
Energy: 0.9595732262478383
Energy: 0.9602851806050338
Energy: 0.9952588019074466
Energy: 0.9601551141154395
Energy: 0.9636616024083242
Energy: 0.9958039587782614
Energy: 0.9590378753597139
Energy: 0.9643446033685659
Energy: 1.0628321250222406
Energy: 0.9586005910918226
Energy: 0.9566280871163848
Energy: 0.9144085166339319
Energy: 0.9667347541965804
Energy: 0.9563886338924982

minimum gb energy = 0.9144085166339319 eV
minimum distance =  2.3606427893071 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.691159221393219
Energy: 1.219422299381544
Energy: 1.0851087520675704
Energy: 1.0571529511674191
Energy: 1.6374346820874275
Energy: 1.1355284614827232
Energy: 1.0820960704173959
Energy: 1.090495039576911
Energy: 1.0484135866803084
Energy: 1.0916098444831124
Energy: 1.0881875636268412
Energy: 1.032463796622503
Energy: 1.0922523317818416
Energy: 1.0649999729223911
Energy: 1.0644870707200276
Energy: 1.0321662820663082
Energy: 1.06635032160602
Energy: 1.0464129086421776
Energy: 1.0971195972700705
Energy: 1.0313827658007557
Energy: 1.0934326410791888
Energy: 1.1008870408468363
Energy: 1.0659408082776163
Energy: 1.0311646278163018
Energy: 1.1030077173153137
Energy: 1.033393279990925
Energy: 1.0930180720176979
Energy: 1.1063906929056637
Energy: 1.093704508532281
Energy: 1.0347180123344268
Energy: 1.0894559709919724
Energy: 1.0927664185840678
Energy: 1.0922531329209537
Energy: 1.092124766599038
Energy: 1.093213354751563
Energy: 1.0915333366279754
Energy: 1.0898169559272275
Energy: 1.1578718990787922
Energy: 1.1592078946110496
Energy: 1.1357017860249425
Energy: 1.1248148986825428
Energy: 1.151519672220619
Energy: 1.3804201398785267
Energy: 1.1758792823960247
Energy: 1.1097719219645483
Energy: 1.062034122587565
Energy: 1.1531348754692161
Energy: 1.1839383342629812
Energy: 1.0915227848413822
Energy: 1.096554599005778
Energy: 1.0968641514668174
Energy: 1.152820312261815
Energy: 1.1232700650712968
Energy: 1.1252030016977512
Energy: 1.1047299303610993
Energy: 1.0636859319044616
Energy: 1.0633311692329694
Energy: 1.1609383000452331
Energy: 1.063570013392741
Energy: 1.1048682452468495
Energy: 1.1848851645652638
Energy: 1.0588889694975994
Energy: 1.1165021196728209
Energy: 1.1854538089859326
Energy: 1.0808085651795811
Energy: 1.1767556753529054
Energy: 1.1920574725077238
Energy: 1.1033515871996336
Energy: 1.10175924592837
Energy: 1.1532847110461635
Energy: 1.0986929446116191
Energy: 1.1009789939567862
Energy: 1.1151256804836498
Energy: 1.0944874791905315
Energy: 1.0938810692745489
Energy: 1.098482254087825
Energy: 1.0933038028926667
Energy: 1.0933192260286213
Energy: 1.1667189099127988
Energy: 1.0939396134800732
Energy: 1.0941981702073236
Energy: 1.1332251613998583
Energy: 1.0965659774728391
Energy: 1.0943139497951786
Energy: 1.1701964114302545
Energy: 1.1129438140947634
Energy: 1.1550242868477076
Energy: 1.0601947063983088
Energy: 1.112567630778177
Energy: 1.1076214443950816
Energy: 1.1622189692276692
Energy: 1.0989570080719218
Energy: 1.0988258276497571
Energy: 1.1400468086617659
Energy: 1.1169725987145236
Energy: 1.0980309348451422
Energy: 1.302337015785141
Energy: 1.0661462977530396
Energy: 1.094792456371798
Energy: 1.3033938027264973
Energy: 1.0663006298518296
Energy: 1.0811731015055333
Energy: 1.1184341317427509
Energy: 1.07766073793551
Energy: 1.1364525659081828
Energy: 1.1199529129257793
Energy: 1.08081537588643
Energy: 1.1265718180167013
Energy: 1.2740632610116942
Energy: 1.0974417071967593
Energy: 1.0979008658678797
Energy: 1.0657607815231347
Energy: 1.1323328995069708
Energy: 1.0612596174369056
Energy: 1.2214355119264537
Energy: 1.099695412432797
Energy: 1.0994578247808031
Energy: 1.066800779129516
Energy: 1.124790067204097
Energy: 1.0625987379772772
Energy: 1.1145828141909302
Energy: 1.1337214483763094
Energy: 1.1279616777556136
Energy: 1.1144047227736646
Energy: 1.1336855143110962
Energy: 1.122170237035165
Energy: 1.1149134896670059
Energy: 1.1248726012311239
Energy: 1.1277086716659561
Energy: 1.137144352134082
Energy: 1.1215654547918288
Energy: 1.1271374772741618
Energy: 1.1187477700320296
Energy: 1.125923225660579
Energy: 1.1264996166158783
Energy: 1.1186564571044506
Energy: 1.1119688034905906
Energy: 1.1381876000829072
Energy: 1.1244804287582608
Energy: 1.0713608556505292
Energy: 1.0701107648585964
Energy: 1.1243289623585244
Energy: 1.070373574749859
Energy: 1.1201800314502828
Energy: 1.099730577698575
Energy: 1.1067033280257266
Energy: 1.110872323049045
Energy: 1.1593984363291465
Energy: 1.1141504747441067
Energy: 1.123194981572218
Energy: 1.2818468317544243
Energy: 1.2127176566205602
Energy: 1.125958016444334
Energy: 1.0312734895713418
Energy: 1.3142522153226184
Energy: 1.033807534958685
Energy: 1.0275983356612426
Energy: 1.1394512492231728
Energy: 1.0711362069662327
Energy: 1.0294394185980411
Energy: 1.2457447214463124
Energy: 1.067566082528011
Energy: 1.1039392390787983
Energy: 1.1125018615769549
Energy: 1.1242708300184872
Energy: 1.137857475475062
Energy: 1.1505191210724999
Energy: 1.1237883441425376
Energy: 1.0961110473346598
Energy: 1.0664573094133574
Energy: 1.065624453448375
Energy: 1.096143823023481
Energy: 1.0673177671637044
Energy: 1.0980920155683682
Energy: 1.0939258924189665
Energy: 1.1291429589861972
Energy: 1.1037478066350281
Energy: 1.0959372103858827
Energy: 1.1259565364778696
Energy: 1.1029629976623079
Energy: 1.0933032772790303
Energy: 1.0995548250514948
Energy: 1.1051259980248656
Energy: 1.0995629300681573
Energy: 1.1448064717804545
Energy: 1.1037130180101675
Energy: 1.1026830698173558
Energy: 1.0971652105550895
Energy: 1.0951855277750855
Energy: 1.1082930528582096
Energy: 1.1645452131057197
Energy: 1.0940551110845427
Energy: 1.2808125635603949
Energy: 1.1556614441207078
Energy: 1.14986434555854
Energy: 1.062871200383841
Energy: 1.1965072668497105
Energy: 1.0659816336135635
Energy: 1.1703412344295805
Energy: 1.096019244064689
Energy: 1.0956126013415144
Energy: 1.1011347472110369
Energy: 1.114758138713019
Energy: 1.0944160559893115
Energy: 1.092638602962002
Energy: 1.0897648531783835
Energy: 1.064371566908557
Energy: 1.1257465897206207
Energy: 1.059244206119452
Energy: 1.0938484858429192
Energy: 1.1922482578811684
Energy: 1.063437263203995
Energy: 1.06320272983132
Energy: 1.192988547120136
Energy: 1.0638669957089448
Energy: 1.11508900206018
Energy: 1.2035289555039137
Energy: 1.1005010377594873
Energy: 1.0992755689509635
Energy: 1.197222352316438
Energy: 1.125352832483254
Energy: 1.101709602123111
Energy: 1.309812093947218
Energy: 1.0951931259067405
Energy: 1.095917106426822
Energy: 1.0553984004219137
Energy: 1.096103556371343
Energy: 1.1720846087866283
Energy: 1.1480668101892764
Energy: 1.0932495840241891
Energy: 1.0933882006536828
Energy: 1.1441209971037758
Energy: 1.0988608342774644
Energy: 1.0927231971803346
Energy: 1.1694369521741865
Energy: 1.1019535083053684
Energy: 1.1009609255615456
Energy: 1.0584361000840936
Energy: 1.1013645664284426
Energy: 1.101034236511409
Energy: 1.1944783609781562
Energy: 1.1044812165484852
Energy: 1.1021951083976593
Energy: 1.1005605559159455
Energy: 1.1690733431240743
Energy: 1.1005077682699689
Energy: 1.3067153715300788
Energy: 1.0599896520270293
Energy: 1.1061320330809976
Energy: 1.239890986392247
Energy: 1.0624480197899044
Energy: 1.1569024107970436
Energy: 1.2607562168631339
Energy: 1.0648274144656367
Energy: 1.0978740088656662
Energy: 1.2669423000132738
Energy: 1.0648276555764382
Energy: 1.1166759363727865
Energy: 1.1721952266664535
Energy: 1.0987875204784963
Energy: 1.0955766688531974
Energy: 1.1282022936509895
Energy: 1.1125704791964268
Energy: 1.095098931056522
Energy: 1.4789501700304875
Energy: 1.0526320565280949
Energy: 1.1207805461018183
Energy: 1.1080505818217243
Energy: 1.0518332939700885
Energy: 1.1211904311183545
Energy: 1.1152125295978312
Energy: 1.1225206436676498
Energy: 1.1301105248179313
Energy: 1.1475749548760477
Energy: 1.0436796761199216
Energy: 1.1283065687744922
Energy: 1.1124211480854274
Energy: 1.120093950604711
Energy: 1.1202219840647636
Energy: 1.117499352519537
Energy: 1.1273379576108233
Energy: 1.120730826876187
Energy: 1.1113203276743564
Energy: 1.0609581865417934
Energy: 1.1210086696944628
Energy: 1.1141068670126568
Energy: 1.126953102755501
Energy: 1.0613148536945027
Energy: 1.1139711259554534
Energy: 1.061690828705602
Energy: 1.0948241748286245
Energy: 1.117547453475818
Energy: 1.0623717157867438
Energy: 1.0663008679144426
Energy: 1.0920439778345932
Energy: 1.0633121519844166
Energy: 1.0629658234177854
Energy: 1.046675630907276
Energy: 1.0631541416941972
Energy: 1.0316238249409466
Energy: 1.0818183155406633
Energy: 1.0592404553352426
Energy: 1.071768149547676
Energy: 1.075568765520987
Energy: 1.0329247043728298
Energy: 1.0742990718764807

minimum gb energy = 1.0275983356612426 eV
minimum distance =  2.31958893855063 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.8867652518571456
Energy: 1.0937380483686276
Energy: 1.0289991229343878
Energy: 1.0328167375805613
Energy: 1.0515644871480767
Energy: 1.093641043407681
Energy: 1.0709322271736246
Energy: 1.0465638438428313
Energy: 1.0457573760357048
Energy: 1.0671389712635047
Energy: 1.0168863191515733
Energy: 1.073542403559268
Energy: 1.124914291683872
Energy: 1.0572994968902591
Energy: 1.0825000383366914
Energy: 1.0395698740063883
Energy: 1.086243062392275
Energy: 1.0364415290595776
Energy: 1.1217420956871473
Energy: 1.0816076842044586
Energy: 1.1549916961912818
Energy: 1.1254265989490915
Energy: 1.08658458414424
Energy: 1.0432262082860984
Energy: 1.1233089021448603
Energy: 1.0797771834826961
Energy: 1.1424052873305337
Energy: 1.1274905886339868
Energy: 1.1451787974968213
Energy: 1.066165096610703
Energy: 1.1234432304204154
Energy: 1.1425022885665914
Energy: 1.1440541851125725
Energy: 1.1432076075575848
Energy: 1.1429780435167112
Energy: 1.1481205366075706
Energy: 1.115547508161516
Energy: 1.1009673900469752
Energy: 1.1442525558707546
Energy: 1.2197948002060284
Energy: 1.0471596603127815
Energy: 1.1457669453061579
Energy: 1.2617352539357933
Energy: 1.2845622011283409
Energy: 1.2151523648694975
Energy: 1.041341358245468
Energy: 1.2366245660089308
Energy: 1.1146151258450612
Energy: 1.1705507398842236
Energy: 1.1003820056453029
Energy: 1.137516409983518
Energy: 1.161192246132726
Energy: 1.1144255044546452
Energy: 1.146887502645765
Energy: 1.1545116319876891
Energy: 1.0301062927447082
Energy: 1.0305650123482404
Energy: 1.1495364309048892
Energy: 1.030328722464799
Energy: 1.0311763559721265
Energy: 1.1496791119571521
Energy: 1.0575815273489055
Energy: 1.028656253421196
Energy: 1.1491970000795262
Energy: 1.0133025461783631
Energy: 1.1147494978274215
Energy: 1.0863959545603799
Energy: 1.1080529524386742
Energy: 1.1086046975059451
Energy: 1.0484172339524844
Energy: 1.1084534920993783
Energy: 1.1478982075819615
Energy: 1.086304184520207
Energy: 1.1549930024012949
Energy: 1.0933797041483693
Energy: 1.0863573530848878
Energy: 1.1552460926617718
Energy: 1.0825446060228052
Energy: 1.149556981999268
Energy: 1.093081436430109
Energy: 1.0941005179217131
Energy: 1.1431769304634845
Energy: 1.0935210563358373
Energy: 1.0945340518036637
Energy: 1.3188545669493887
Energy: 1.092493986339381
Energy: 1.1671656317460042
Energy: 1.1438480505214055
Energy: 1.0923559203110789
Energy: 1.1486697858124402
Energy: 1.1527788282571374
Energy: 1.10539392932662
Energy: 1.142009413580175
Energy: 1.1033706290484206
Energy: 1.1120215293918025
Energy: 1.1423677441569424
Energy: 1.3173119016299122
Energy: 1.0405352801932044
Energy: 1.054915443482913
Energy: 1.3178901034943251
Energy: 1.0405412901359514
Energy: 1.094444618836011
Energy: 1.0840962787019677
Energy: 1.1034325267310283
Energy: 1.151335453925666
Energy: 1.084419718621473
Energy: 1.1026697756082466
Energy: 1.147853942137743
Energy: 0.9678841704789358
Energy: 1.0852830545974776
Energy: 0.9662457720438702
Energy: 0.9671776419194815
Energy: 1.1204790294478493
Energy: 0.9667550799944556
Energy: 0.9672141174471881
Energy: 1.0857119100826575
Energy: 0.9665440630130936
Energy: 0.9663330431071484
Energy: 1.1124416145526128
Energy: 0.9670699487282596
Energy: 1.0844735166899908
Energy: 1.1033960156425464
Energy: 1.1030863320173485
Energy: 1.0846140744598132
Energy: 1.1029196849872103
Energy: 1.1116089140269385
Energy: 1.1579497619363857
Energy: 1.0579025634673438
Energy: 1.0392722537584045
Energy: 1.098898457448459
Energy: 1.038768240148769
Energy: 1.089637788349111
Energy: 1.1442737234689448
Energy: 1.1041971033575917
Energy: 1.1427947065842121
Energy: 1.0997396086726596
Energy: 1.1110055318347098
Energy: 1.1431444181552852
Energy: 1.1564452940528187
Energy: 1.1474568753489738
Energy: 1.1501034808589041
Energy: 1.1467851929473643
Energy: 1.148734225766774
Energy: 1.1495940708120715
Energy: 1.1563886017240033
Energy: 1.129829862288011
Energy: 1.153878847764582
Energy: 1.1434357542610005
Energy: 1.0926580007314606
Energy: 1.153420157595661
Energy: 1.261844782223104
Energy: 1.195748995012374
Energy: 1.197635556530481
Energy: 1.041753511783573
Energy: 1.3206940978867472
Energy: 1.1965799861875779
Energy: 1.1070916634096222
Energy: 1.2064511033501732
Energy: 1.1445123338232808
Energy: 1.092275528054077
Energy: 1.2211121961406428
Energy: 1.1446755277992293
Energy: 1.1486155152352953
Energy: 1.055552540196817
Energy: 1.1010112256843152
Energy: 1.1547606787608078
Energy: 1.0378556165691304
Energy: 1.1147500084574893
Energy: 1.118664433485447
Energy: 1.031051571727219
Energy: 1.0311344374419076
Energy: 1.123018023290607
Energy: 1.0309763157325693
Energy: 1.0312410867885804
Energy: 1.1677825673129305
Energy: 1.1001075446819581
Energy: 1.1449545240488808
Energy: 1.1636366048779871
Energy: 1.107204581341764
Energy: 1.1163012264853112
Energy: 1.0862400269275292
Energy: 1.1371018991432298
Energy: 1.097416050864587
Energy: 1.086704983619734
Energy: 1.2165573031384813
Energy: 1.0434928702039432
Energy: 1.1709212355241447
Energy: 1.098406676419244
Energy: 1.0987848517144765
Energy: 1.154877990858239
Energy: 1.036535750729757
Energy: 1.1493662023804319
Energy: 1.280293043582386
Energy: 1.1386388180939784
Energy: 1.124288669022453
Energy: 1.1476740099264224
Energy: 1.1370690988385774
Energy: 1.1258704653587281
Energy: 1.1304996051834661
Energy: 1.051004430633069
Energy: 1.1518338636990193
Energy: 1.1262441049643248
Energy: 1.134986010621623
Energy: 1.044656716182718
Energy: 1.128994499967515
Energy: 1.0048911278285968
Energy: 1.1471398129311854
Energy: 1.1324312124179767
Energy: 1.0416034114464234
Energy: 1.0789810851555965
Energy: 1.2561022880868435
Energy: 1.0409070959230975
Energy: 1.0406441713365535
Energy: 1.175115099784287
Energy: 1.0415805295613658
Energy: 1.1397611907168947
Energy: 1.12221877893502
Energy: 1.0456176449341064
Energy: 1.0455158771611288
Energy: 1.066790048211166
Energy: 1.0097506793832307
Energy: 1.0749294161184502
Energy: 1.232301715099729
Energy: 1.0367362407341367
Energy: 1.0304059841070956
Energy: 0.9976486340277525
Energy: 1.0319724346669064
Energy: 1.0970655453815952

minimum gb energy = 0.9662457720438702 eV
minimum distance =  2.30668984532203 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.7684176183141147
Energy: 1.2110402879284374
Energy: 1.1191900203121568
Energy: 1.047553896012468
Energy: 1.1921497466528286
Energy: 1.0471761635582704
Energy: 1.0032423507271722
Energy: 1.0288870980636706
Energy: 1.012564861961855
Energy: 1.0745021416979308
Energy: 1.020976184328313
Energy: 1.0185245740519828
Energy: 1.0253855546082618
Energy: 1.0020072980939252
Energy: 1.0017403075622655
Energy: 1.0708874989853314
Energy: 1.0027509626477686
Energy: 1.0186972098763496
Energy: 1.0194428148259365
Energy: 1.0038112414165916
Energy: 1.019159739445426
Energy: 1.019390081454701
Energy: 1.0598029198629204
Energy: 1.0187164287513775
Energy: 1.0195403342154505
Energy: 1.0473794510324055
Energy: 1.0477379477111965
Energy: 1.0190437492602924
Energy: 1.045991855465463
Energy: 1.060871992391672
Energy: 1.0201299865586186
Energy: 1.0605009105829986
Energy: 1.0490831583507378
Energy: 1.0481459306573009
Energy: 1.0205113229808669
Energy: 1.0493799985999015
Energy: 1.0206412429282516
Energy: 1.01940254836169
Energy: 1.0194839239833644
Energy: 1.0200590666881135
Energy: 1.0194959641935453
Energy: 1.020493362980928
Energy: 1.109336555567228
Energy: 1.0236668622860081
Energy: 1.0219300875843005
Energy: 1.0118737510244447
Energy: 1.024535389941151
Energy: 1.0215345989236486
Energy: 1.0168428109778702
Energy: 1.0199086569266522
Energy: 1.0200562180929493
Energy: 1.017871062573909
Energy: 1.019195346772429
Energy: 1.0201064127989932
Energy: 1.1675379929346403
Energy: 1.020725970708451
Energy: 1.0205194689147103
Energy: 1.0204023848258652
Energy: 1.0209209042898444
Energy: 1.020625719070086
Energy: 1.0118896071698895
Energy: 1.0130061764406073
Energy: 1.0576666584033563
Energy: 1.0181608749964686
Energy: 1.0315274309455165
Energy: 1.0119217796382964
Energy: 1.0402158859376605
Energy: 1.0190537406399849
Energy: 1.018688888174671
Energy: 1.0027271217646074
Energy: 1.0205394820853426
Energy: 1.0187165890786563
Energy: 1.0387546286958655
Energy: 1.0188815045188235
Energy: 1.0356259741575746
Energy: 1.0060083568762324
Energy: 1.0194825801641814
Energy: 1.0352444605409128
Energy: 1.0117523470329641
Energy: 1.019798357131341
Energy: 1.0146824099867722
Energy: 1.0184259420738373
Energy: 1.0197549089824003
Energy: 1.012836890347599
Energy: 1.0119893734280774
Energy: 1.0104977200000453
Energy: 1.0097906841893636
Energy: 1.012507492268543
Energy: 1.0012991629259012
Energy: 1.019357064010571
Energy: 1.0117282244930514
Energy: 1.0631063231272921
Energy: 1.0211083705006827
Energy: 1.0117378838930677
Energy: 1.034284921104549
Energy: 1.0119775948779377
Energy: 1.015480301691389
Energy: 1.013125383259648
Energy: 1.012873265191838
Energy: 1.0153038202138809
Energy: 1.0206750485486247
Energy: 1.0130590106376212
Energy: 1.0151995664575502
Energy: 1.012789489136665
Energy: 1.0121212452769688
Energy: 1.0568127709398767
Energy: 1.0134624928857514
Energy: 1.0119241586111694
Energy: 1.0238379502821982
Energy: 1.0129457944178957
Energy: 1.0120862953118204
Energy: 1.0274785556700974
Energy: 1.012529822464534
Energy: 1.0193299326981153
Energy: 1.0228694205400168
Energy: 1.0126201420222205
Energy: 1.0120175711189028
Energy: 1.0214757363771514
Energy: 1.012617705263731
Energy: 1.0190256708973957
Energy: 1.0133716515806415
Energy: 1.0303596709299663
Energy: 1.0587721582506777
Energy: 1.0554684511372308
Energy: 1.0374561513028049
Energy: 1.012005049925677
Energy: 1.156592397007768
Energy: 1.0375039459246314
Energy: 1.037927559844905
Energy: 1.1567109084804301
Energy: 1.005804353521115
Energy: 1.1750502120584
Energy: 1.057146252918777
Energy: 1.0139916622293756
Energy: 1.013403556038586
Energy: 1.0356027093690945
Energy: 1.0375960328818659
Energy: 1.0118326317253823
Energy: 1.1476776134681443
Energy: 1.0138797166333209
Energy: 1.0132530032042593
Energy: 1.0162841586898514
Energy: 1.0127893668284182
Energy: 1.0128924839260873
Energy: 1.057258565697502
Energy: 1.0112421435034131
Energy: 1.011363413930955
Energy: 1.032688349739088
Energy: 1.0111449984390757
Energy: 1.0116596608636368
Energy: 1.0772135464948407
Energy: 1.0133055860834561
Energy: 1.0216014515940706
Energy: 1.0143377481373996
Energy: 1.0121294811566937
Energy: 1.0114665413006791
Energy: 1.07756985818983
Energy: 1.0119041290221404
Energy: 1.0213287182749384
Energy: 1.0194990873150982
Energy: 1.0284393894060695
Energy: 1.0211443002367553
Energy: 1.091956414619759
Energy: 1.0201963544198078
Energy: 1.0117659008756201
Energy: 1.0205201869771006
Energy: 1.029110286647217
Energy: 1.0194759584830229
Energy: 1.029806028869832
Energy: 1.0189584287311488
Energy: 1.0192517870244453
Energy: 1.02972088002383
Energy: 1.0122237858155034
Energy: 1.0194097520348984
Energy: 1.0191842095857762
Energy: 1.0287109923758595
Energy: 1.0136553428299806
Energy: 1.0772854166583266
Energy: 1.0191239617275374
Energy: 1.0197335414001794
Energy: 1.006631382168366
Energy: 1.0975520946814432
Energy: 1.0729735300055208
Energy: 1.037044594461248
Energy: 1.170314422624245
Energy: 1.0728508519454443

minimum gb energy = 1.0012991629259012 eV
minimum distance =  2.28858306952676 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.3604951745116403
Energy: 1.0563782311315952
Energy: 1.0568692919672813
Energy: 1.0277708996863961
Energy: 1.2043306445572854
Energy: 1.0565030543120553
Energy: 0.9635326577907456
Energy: 1.019955776023901
Energy: 1.0174224529471092
Energy: 1.0317169244027622
Energy: 1.0311995510785659
Energy: 1.0200109803257051
Energy: 1.0124884098652955
Energy: 0.9781005738189991
Energy: 0.9707101590758506
Energy: 1.0167774975521073
Energy: 0.9642219725562322
Energy: 0.9642231693634936
Energy: 1.0157915431618318
Energy: 0.9776952694569278
Energy: 0.9629607568322223
Energy: 1.015814741763214
Energy: 0.966016622606096
Energy: 1.0172940735167093
Energy: 1.01697278603543
Energy: 1.013731015559341
Energy: 1.0120795049628708
Energy: 1.0180124086517122
Energy: 1.0165690767399933
Energy: 1.0120139843805018
Energy: 0.9774911801342032
Energy: 1.012096898847944
Energy: 1.0085167327677673
Energy: 1.0175670932023213
Energy: 1.0199730972707584
Energy: 1.008714638938265
Energy: 1.0324396153815585
Energy: 1.01522937830743
Energy: 1.0158721599684493
Energy: 1.0318214187022532
Energy: 1.0158846045958192
Energy: 1.0190125673297052
Energy: 1.0312564747197268
Energy: 1.0136750248355533
Energy: 1.011391998204971
Energy: 1.0131868028717388
Energy: 1.0151612931382654
Energy: 1.0160158466937081
Energy: 1.0309553989872366
Energy: 1.0174294835561324
Energy: 1.0197233700945785
Energy: 1.031912083847203
Energy: 1.0197741099825355
Energy: 1.023956380761762
Energy: 1.1323009098404966
Energy: 1.0117765826972986
Energy: 1.0101781071056493
Energy: 1.1322187674803728
Energy: 1.01985151599962
Energy: 1.0130938197864938
Energy: 1.0207532841839861
Energy: 1.0097633572815023
Energy: 1.0151377593126507
Energy: 1.0268215484346666
Energy: 1.0178082050782882
Energy: 1.0163511778382008
Energy: 0.9636640772888786
Energy: 1.01676514551152
Energy: 1.0157831048376498
Energy: 0.9668654393382384
Energy: 1.0265578644152165
Energy: 1.0543499625636843
Energy: 0.9628886664315182
Energy: 1.0197343392695215
Energy: 1.0545401043685632
Energy: 0.9764480559179732
Energy: 1.029372832247783
Energy: 1.0538866080941118
Energy: 1.0192895578740235
Energy: 1.0350948167119947
Energy: 1.0229804999324623
Energy: 1.0302292277198053
Energy: 1.0315911511453166
Energy: 1.0129302035955967
Energy: 1.0268397672386522
Energy: 0.9684728873775793
Energy: 0.9706900444665283
Energy: 1.021960444680246
Energy: 0.9672854011562958
Energy: 0.9700912967934624
Energy: 1.016456333058141
Energy: 1.0125846015264475
Energy: 1.0107731031275717
Energy: 1.0181285022362596
Energy: 1.0272661263780607
Energy: 1.0159979876185135
Energy: 1.026083205059113
Energy: 1.011940924729425
Energy: 1.009458478671283
Energy: 1.0170133844858729
Energy: 1.0116195825152676
Energy: 1.017008754847774
Energy: 1.017608897941084
Energy: 1.0120955883029161
Energy: 1.0089542034469743
Energy: 1.0145488891299377
Energy: 1.0172402118195345
Energy: 1.01077530692958
Energy: 1.032533789963205
Energy: 1.0163589761800456
Energy: 1.0174405927139363
Energy: 1.0215047881086383
Energy: 1.0163037552339094
Energy: 1.022703262645382
Energy: 1.0325016770272295
Energy: 1.0167233312783948
Energy: 1.0158174189715183
Energy: 1.0075027411904922
Energy: 1.0180851411656355
Energy: 1.0224338920452933
Energy: 1.0297401149026695
Energy: 1.0363827477241563
Energy: 1.0142612437624652
Energy: 1.0305622801953294
Energy: 1.0363630242430206
Energy: 1.0139296211832178
Energy: 1.1256109160981056
Energy: 1.0132071499239923
Energy: 1.014018527102171
Energy: 1.1252751989156595
Energy: 1.0089124261026114
Energy: 1.0162808866518014
Energy: 1.0189408541923128
Energy: 1.0346135354979755
Energy: 1.033416657540696
Energy: 1.0304063598186137
Energy: 1.031649736738291
Energy: 1.026483393532693
Energy: 0.9629663070605506
Energy: 1.016486023519463
Energy: 1.0547233086142966
Energy: 0.9767326302860723
Energy: 1.0264491296947393
Energy: 1.0538931845046606

minimum gb energy = 0.9628886664315182 eV
minimum distance =  2.2997350320121 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.5629885692847196
Energy: 1.1192188362607152
Energy: 1.1196642274106756
Energy: 1.044230371089789
Energy: 1.0515844152941936
Energy: 1.0424631677075533
Energy: 0.9669876286853466
Energy: 1.0744014910432271
Energy: 1.0773824911093721
Energy: 1.0949230000864287
Energy: 1.084646043740358
Energy: 1.015892146061702
Energy: 1.3062670065256272
Energy: 0.9779947008795482
Energy: 0.9666922865891674
Energy: 1.054364714205849
Energy: 0.9670650196766317
Energy: 0.9674009125910489
Energy: 1.0569146076614089
Energy: 0.9676097483674231
Energy: 0.9674025257378808
Energy: 1.0569729940993966
Energy: 0.9641974219322452
Energy: 1.0546988971772329
Energy: 0.9535942056413159
Energy: 0.968059957234567
Energy: 0.971475896929221
Energy: 0.9544478813961548
Energy: 0.9717470542313852
Energy: 0.9710740879313279
Energy: 0.9678716712663008
Energy: 0.9467460929651518
Energy: 0.9500426854099209
Energy: 0.9535178792802093
Energy: 0.9479236155109527
Energy: 0.9554105912148096
Energy: 0.9384722753342142
Energy: 0.9375251403169642
Energy: 0.9372649828527277
Energy: 0.938556298471856
Energy: 0.9386048534081024
Energy: 0.9484350583128602
Energy: 0.9391681022363194
Energy: 0.9612344129220585
Energy: 0.9605208321907717
Energy: 0.9611553308367828
Energy: 0.9596663409507386
Energy: 0.9861536451064871
Energy: 0.9411832805256616
Energy: 0.9613531002482255
Energy: 0.9586218820961624
Energy: 0.9385569568722357
Energy: 0.9672787694032388
Energy: 0.9395089000007864
Energy: 0.9454421799633533
Energy: 0.9692046800652315
Energy: 0.9733436790091075
Energy: 0.9451391167622585
Energy: 0.9512373798083944
Energy: 0.9654738843318447
Energy: 0.955784799143506
Energy: 0.9694201200927676
Energy: 0.9690305513042071
Energy: 0.9719994827990438
Energy: 0.9538335450690306
Energy: 0.9695905525725506
Energy: 0.9533045374050917
Energy: 1.0720860946697783
Energy: 1.071682129015493
Energy: 0.9522440148041762
Energy: 1.072930399387529
Energy: 1.0592907369404114
Energy: 0.9521113569587967
Energy: 1.054800048389341
Energy: 1.063458504630228
Energy: 0.9712030976536713
Energy: 1.0537576580284786
Energy: 1.0633796191420735
Energy: 1.0821907324379694
Energy: 1.0739247689912605
Energy: 1.0751058719882765
Energy: 1.0830612069702663
Energy: 1.0764314624891176
Energy: 1.012972798676544
Energy: 1.0553674253756624
Energy: 1.0531763376427363
Energy: 1.0522925070850138
Energy: 1.0460209583626807
Energy: 1.0526963594814394
Energy: 1.0516637091739485
Energy: 1.0490967138972023
Energy: 1.094761448248308
Energy: 1.0173654903945402
Energy: 1.0956302968671652
Energy: 1.0868599188278323
Energy: 1.073168173173765
Energy: 0.9069768098745298
Energy: 1.05505603308084
Energy: 1.121241620664694
Energy: 0.9180747458745985
Energy: 1.055448031848786
Energy: 1.1214538263646694

minimum gb energy = 0.9069768098745298 eV
minimum distance =  2.2925212059523 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.654682199917952
Energy: 1.1991301845651037
Energy: 1.0147489074265008
Energy: 1.0118714108796014
Energy: 1.0779905099093086
Energy: 1.0143560875015976
Energy: 0.964870253286021
Energy: 1.064773740967554
Energy: 0.933992602493843
Energy: 1.0627519269474104
Energy: 1.0661070118589813
Energy: 0.9859111247598163
Energy: 1.255809353489109
Energy: 0.8668066913581493
Energy: 0.9583113828391329
Energy: 1.063356953841694
Energy: 0.8666657521315833
Energy: 0.9670955901797914
Energy: 1.0680620630615125
Energy: 0.9622269269000769
Energy: 0.9628015436576975
Energy: 1.0695532635167784
Energy: 0.8771055342580719
Energy: 0.9654354922877995
Energy: 0.9330703975896877
Energy: 0.9376646182498865
Energy: 0.9368418947345003
Energy: 0.9339635379071883
Energy: 0.9197696510501282
Energy: 0.9333480056405079
Energy: 0.839290154910927
Energy: 0.9178303590085747
Energy: 0.8710504118900565
Energy: 0.8693465234217572
Energy: 0.9182379074975194
Energy: 0.8709821876389104
Energy: 0.8536533470243522
Energy: 0.9185293915179131
Energy: 0.9178901231210873
Energy: 0.8567960056159838
Energy: 0.9221294329086548
Energy: 0.906719241815058
Energy: 0.8543751080256151
Energy: 0.8799391685183862
Energy: 0.8900335903498372
Energy: 0.9089084473047317
Energy: 0.8797140253458212
Energy: 0.8898056175703306
Energy: 0.8557372053725356
Energy: 0.8806455486708861
Energy: 0.8841272862757432
Energy: 0.8573963280015888
Energy: 0.8728160379553055
Energy: 0.8553487573197348
Energy: 0.8545633609001964
Energy: 0.8862130913467158
Energy: 0.8864669972686992
Energy: 0.8545501601514075
Energy: 0.884913907781274
Energy: 0.8862822081587126
Energy: 0.8747465482270587
Energy: 0.8539815822706646
Energy: 0.8844819819995131
Energy: 0.8841659405092606
Energy: 0.8550347904728344
Energy: 0.8846016166423066
Energy: 0.8579597483708188
Energy: 0.8556508269375547
Energy: 0.8550995121720455
Energy: 0.8601340285663004
Energy: 0.855248174251681
Energy: 0.8815313818708035
Energy: 0.8743080087387058
Energy: 0.8901641304889308
Energy: 0.8894007591557185
Energy: 0.8908445657938123
Energy: 0.8854142607614942
Energy: 0.8902798853799823
Energy: 0.9188287038193236
Energy: 0.906600946821658
Energy: 0.8967022511655818
Energy: 0.9190995370401817
Energy: 0.8809758096555899
Energy: 0.9179874402367975
Energy: 0.9180047951655996
Energy: 0.8985573105449857
Energy: 0.8993108431879773
Energy: 0.9179168592297935
Energy: 0.8990918766690595
Energy: 0.9333414596396058
Energy: 1.054075477164786
Energy: 0.9576895895617055
Energy: 0.9387092557034381
Energy: 0.9434861966228312
Energy: 0.9348186464458981
Energy: 0.9380756699811343
Energy: 0.8549569821163463
Energy: 1.0644527410212703
Energy: 1.0641685076150942
Energy: 0.8576044187688381
Energy: 1.0636041308110087
Energy: 0.9376403787313924
Energy: 0.8561631249471409
Energy: 1.0628190464873308
Energy: 1.059174221367521
Energy: 0.9376576859552584
Energy: 1.0627622149596139
Energy: 0.9370665854836698
Energy: 1.1703937520650527
Energy: 1.0631683184771743
Energy: 1.006640892539585
Energy: 1.0638794436602008
Energy: 0.987394355495755
Energy: 0.9394749838369583
Energy: 1.2583792497376047
Energy: 0.9358374325620248
Energy: 0.9354438584224933
Energy: 1.064214881981626
Energy: 0.9179078311171845
Energy: 1.0678939771579885
Energy: 1.2393646622380754
Energy: 1.062827768635218
Energy: 1.0595560663243762
Energy: 1.0652674170272785
Energy: 1.0663545841114992
Energy: 1.0625852410541685
Energy: 0.8695187040254341
Energy: 1.0695665478484888
Energy: 1.158205081816409
Energy: 0.9570618185841576
Energy: 1.06985637157686
Energy: 0.9658570320988948
Energy: 0.873935271071969
Energy: 1.0647990716808862
Energy: 1.0593350671304333
Energy: 0.8758478925731535
Energy: 1.068688548907096
Energy: 1.0338282603202669
Energy: 1.238221806590219
Energy: 0.957396164884541
Energy: 0.9356029917461239
Energy: 1.0655105955968602
Energy: 0.8687909422133364
Energy: 1.0635367810048746
Energy: 1.0627867872908512
Energy: 0.8684795319784911
Energy: 0.9591053888630134
Energy: 1.0625673541445406
Energy: 0.8675699934853405
Energy: 0.9675151265471853
Energy: 0.9369025258854446
Energy: 0.9374597571281574
Energy: 0.9413754814348781
Energy: 0.9373498857109429
Energy: 0.9197088577077397
Energy: 0.9387440902980152
Energy: 0.8378548178933476
Energy: 0.946640600567917
Energy: 0.9142751744132042
Energy: 0.8671615543421012
Energy: 0.9464447755038626
Energy: 0.8707404767136531
Energy: 0.8395011363308187
Energy: 0.9187413923696005
Energy: 0.9186771511130004
Energy: 0.8391727324502707
Energy: 0.9208865716565673
Energy: 0.9182582942995723
Energy: 0.8550573820415468
Energy: 0.8931746859804456
Energy: 0.8944491671131789
Energy: 0.8887458593095954
Energy: 0.8723071803364761
Energy: 0.894579983948603
Energy: 0.8556810842831379
Energy: 0.8796281686339354
Energy: 0.891381177510511
Energy: 0.8558185984426949
Energy: 0.879812728627765
Energy: 0.8898139857689236
Energy: 0.8617273908262313
Energy: 0.8852612292439969
Energy: 0.8847918058503464
Energy: 0.8550502663234187
Energy: 0.8817586743785834
Energy: 0.8745316621575544
Energy: 0.8555284942965772
Energy: 0.8820173801601364
Energy: 0.8856482399105686
Energy: 0.8835565262064751
Energy: 0.8897308443859262
Energy: 0.8824618716815348
Energy: 0.8695342359339936
Energy: 0.8552940416813122
Energy: 0.8553187376772519
Energy: 0.8698897147988234
Energy: 0.856087735373446
Energy: 0.8551914659618873
Energy: 0.8716014725675981
Energy: 0.9033192008127838
Energy: 0.8937930842656433
Energy: 0.8909393380523429
Energy: 0.8813970110673116
Energy: 0.8940815177346821
Energy: 0.9184527970859293
Energy: 0.8917249518593892
Energy: 0.8925714178759089
Energy: 0.9185611854356817
Energy: 0.8830057078513401
Energy: 0.8948114828543718
Energy: 0.9189816734882286
Energy: 0.8920883483244169
Energy: 0.9394219383177015
Energy: 0.9192900595063936
Energy: 0.8920402633404563
Energy: 0.939581971555532
Energy: 1.158876415213738
Energy: 0.9318327925873479
Energy: 0.9327211642961478
Energy: 0.920956700238777
Energy: 0.8573634956513885
Energy: 0.9397901587151307
Energy: 0.8539376683634159
Energy: 1.063126503612022
Energy: 1.062465887101686
Energy: 0.9156371898403353
Energy: 1.0646711780730218
Energy: 0.9397650988949234
Energy: 0.8550497787935347
Energy: 1.0588023349587319
Energy: 0.9453241816996729
Energy: 0.9176041245089884
Energy: 1.0573712187797633
Energy: 0.9516859002976759
Energy: 0.9185380928943658
Energy: 1.0629825381184965
Energy: 1.0638117130340985
Energy: 0.9349749866303851
Energy: 1.0684723752502499
Energy: 1.0001481090752338
Energy: 1.1783603925845705
Energy: 0.9184524620229998
Energy: 1.0527230538060526
Energy: 1.0666580100941934
Energy: 0.9188499148808577
Energy: 1.0627596434095203
Energy: 1.2347108257446477
Energy: 1.001309827713429
Energy: 0.933896696676414
Energy: 1.066763324929563
Energy: 0.9351690821615048
Energy: 1.0623991817469145
Energy: 0.8757559922914541
Energy: 1.0647542029974848
Energy: 1.0590791507142323
Energy: 0.8778153350334696
Energy: 1.0680647950067634
Energy: 1.035787770098623

minimum gb energy = 0.8378548178933476 eV
minimum distance =  2.29400086874291 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.8002111931686319
Energy: 1.1142896210225077
Energy: 0.9783837170806882
Energy: 0.8321373119451145
Energy: 1.3695009024076032
Energy: 0.9600048527908829
Energy: 1.0595178507924539
Energy: 0.9072693092582708
Energy: 0.8898024102919653
Energy: 1.040437087612237
Energy: 1.034256148786312
Energy: 0.8835896299538784
Energy: 1.194409570205808
Energy: 0.8256954797970384
Energy: 0.8564332887890463
Energy: 1.04014010066075
Energy: 0.8555418288871527
Energy: 0.9405709650811281
Energy: 1.0353381051896977
Energy: 0.8258091007496762
Energy: 0.9265099805182776
Energy: 1.0566114617599192
Energy: 0.8059110375282117
Energy: 0.9462950396902432
Energy: 0.8878142868964785
Energy: 0.9026899291808677
Energy: 0.8860203639232416
Energy: 0.8882280446040131
Energy: 0.9014782678146487
Energy: 0.881231229701569
Energy: 0.7791258753030358
Energy: 0.8986162162923897
Energy: 0.828657846810012
Energy: 0.8360175461991785
Energy: 0.8986069818794239
Energy: 0.8272109739758208
Energy: 0.8222933772257427
Energy: 0.9065749760394378
Energy: 0.8983590774641933
Energy: 0.831359064165675
Energy: 0.9044847346502883
Energy: 0.8430395747037305
Energy: 1.0569172724573648
Energy: 0.8233606873567404
Energy: 0.8227948741667909
Energy: 0.8447174053597415
Energy: 0.8228146189323231
Energy: 0.8394569193599557
Energy: 0.826666445845835
Energy: 0.840595698208148
Energy: 0.8236067504768292
Energy: 0.8287081373770396
Energy: 0.7898841539746848
Energy: 0.8229763314737326
Energy: 0.8231671811855967
Energy: 0.827063804240937
Energy: 0.8276957270966765
Energy: 0.8232587628703127
Energy: 0.8270150015562325
Energy: 0.8191753361686942
Energy: 0.7959261623354368
Energy: 0.788312518990852
Energy: 0.8170126866498733
Energy: 0.8136931816578282
Energy: 0.7893853313086001
Energy: 0.8172891516919297
Energy: 0.8285030877740407
Energy: 0.789062001450041
Energy: 0.7883657751207962
Energy: 0.8069876834656167
Energy: 0.7941485974873685
Energy: 0.8191921970487889
Energy: 0.7887013205082015
Energy: 0.8546806335793791
Energy: 0.8244939177774067
Energy: 0.8201248155452144
Energy: 0.8268360674584406
Energy: 0.8251768436107445
Energy: 0.7891735486891077
Energy: 0.8191875766766096
Energy: 0.7886992918674782
Energy: 0.7916277329690157
Energy: 0.804792316858266
Energy: 0.7885163849738437
Energy: 0.7884376959121702
Energy: 0.820075413220819
Energy: 0.8180729668127896
Energy: 0.7885818911046164
Energy: 0.8353018396129652
Energy: 0.8177044870310041
Energy: 0.8456826435743761
Energy: 0.8231542576917182
Energy: 0.8249310703393395
Energy: 0.8261999053811249
Energy: 0.8239801134706909
Energy: 0.8249642952113168
Energy: 0.7905050358328697
Energy: 0.8236556155458472
Energy: 0.8228185588233737
Energy: 0.8450628854061073
Energy: 0.8327613407343075
Energy: 0.8406062372215288
Energy: 0.7919520945414249
Energy: 0.8461792506484838
Energy: 0.8531275676375659
Energy: 0.7932172634181824
Energy: 0.8461585129745811
Energy: 0.839293694478201
Energy: 0.8989011567398867
Energy: 0.8503119525623608
Energy: 0.8709243459152989
Energy: 0.9007460181903347
Energy: 0.854850145957468
Energy: 0.8983274454929144
Energy: 1.0135202013542968
Energy: 0.8586877875841562
Energy: 0.8589749466696929
Energy: 0.8929445971489428
Energy: 0.8531366398148506
Energy: 0.8849789403082781
Energy: 1.1045856799311697
Energy: 0.9102306287833213
Energy: 0.8678371114887151
Energy: 0.8915287888282706
Energy: 0.9307537175833149
Energy: 0.907161939657839
Energy: 0.7890575265380547
Energy: 1.0327470049834129
Energy: 0.8982505231663583
Energy: 0.8433360919805166
Energy: 1.033131336936341
Energy: 0.8950203729948232
Energy: 0.8286549031620715
Energy: 1.0417003641701497
Energy: 1.0152424203300099
Energy: 0.8302558508637928
Energy: 1.0374500177914907
Energy: 1.0119161267150083
Energy: 1.103775395504156
Energy: 0.899021050912448
Energy: 0.880913988259702
Energy: 0.9057277962481854
Energy: 0.8860082693929601
Energy: 0.8980415959946233
Energy: 1.202495886849222
Energy: 0.8816455352447222
Energy: 0.8908766451077167
Energy: 1.0357921597905204
Energy: 0.899088653803571
Energy: 1.0314847728675507
Energy: 1.179253763117428
Energy: 1.0332573883795333
Energy: 1.0126588624695902
Energy: 1.0381408977765278
Energy: 1.0393259649727522
Energy: 0.907170831092719
Energy: 0.7969024416501145
Energy: 1.03293969278088
Energy: 0.9471342317991281
Energy: 0.8310399682535016
Energy: 1.0428329386484985
Energy: 0.9410864001773179

minimum gb energy = 0.7791258753030358 eV
minimum distance =  2.29283823736345 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.6965907631877251
Energy: 0.9620155983145078
Energy: 0.8663942990585214
Energy: 0.7529695982839765
Energy: 1.0618295115020893
Energy: 0.8307730936823885
Energy: 0.9961809384500431
Energy: 0.8047770121186975
Energy: 0.7699311202941588
Energy: 0.9209144365474011
Energy: 0.8062040698136116
Energy: 0.7513017176915794
Energy: 1.0402313953825961
Energy: 0.7273602162997059
Energy: 0.7289089579395865
Energy: 0.9198662043642556
Energy: 0.7276195793146555
Energy: 0.7536936185308669
Energy: 0.9054495510267214
Energy: 0.730380915577163
Energy: 0.7536116026341937
Energy: 0.8188458130051075
Energy: 0.763053198685991
Energy: 0.8558510698995414
Energy: 0.8170055978721282
Energy: 0.815955686347563
Energy: 0.7645949900117978
Energy: 0.8194634282609657
Energy: 0.8187659372255987
Energy: 0.7508109799729168
Energy: 0.6721338556408994
Energy: 0.8156538428454047
Energy: 0.7271708871717336
Energy: 0.7057583394121623
Energy: 0.8155535035956221
Energy: 0.7220845361613417
Energy: 0.936062157207684
Energy: 0.8153764383969461
Energy: 0.8153429361566868
Energy: 0.7211204856496211
Energy: 0.8154101425205806
Energy: 0.7290625598056957
Energy: 0.935673028889401
Energy: 0.7015428863402373
Energy: 0.7146197523018777
Energy: 0.7484396012793637
Energy: 0.7010566250030985
Energy: 0.7142312112348264
Energy: 0.7517676044558957
Energy: 0.71410941866649
Energy: 0.7486405616210441
Energy: 0.7538072743831902
Energy: 0.6884773493421597
Energy: 0.7483676058250659
Energy: 0.7358808071730419
Energy: 0.7071943510088049
Energy: 0.7072662903730096
Energy: 0.7493469510946599
Energy: 0.7069145556695432
Energy: 0.7060462324442356
Energy: 0.6658243992472076
Energy: 0.7057299418420665
Energy: 0.7030658493812358
Energy: 0.6965567392120309
Energy: 0.7058654702377838
Energy: 0.6961029619929406
Energy: 0.753378652552058
Energy: 0.7060685831506712
Energy: 0.7055988241477942
Energy: 0.6998244230227302
Energy: 0.7062426143605999
Energy: 0.6997787999863239
Energy: 0.8914936057283819
Energy: 0.7398442321723097
Energy: 0.7508287800626854
Energy: 0.7480695564689703
Energy: 0.7182332986994949
Energy: 0.7507325146596525
Energy: 0.6807920557557884
Energy: 0.6961412941046323
Energy: 0.6802741301042267
Energy: 0.6827893801514755
Energy: 0.668520254837725
Energy: 0.6802974058576616
Energy: 0.6804781256287411
Energy: 0.6893315455758037
Energy: 0.6885736352241165
Energy: 0.6802792320022463
Energy: 0.6881826912065611
Energy: 0.6885372842898279
Energy: 0.6732101446939833
Energy: 0.66864543150532
Energy: 0.6692525627645997
Energy: 0.6858789257849699
Energy: 0.6688781096566073
Energy: 0.6854201149738699
Energy: 0.6852010287080345
Energy: 0.6685526025113089
Energy: 0.6682719378243489
Energy: 0.6940452147574441
Energy: 0.6689874248007049
Energy: 0.6924001542583889
Energy: 0.6689120615459155
Energy: 0.6923460099856587
Energy: 0.6915431914600612
Energy: 0.6686583157403668
Energy: 0.7332610573982464
Energy: 0.6928548198769128
Energy: 0.668755917490015
Energy: 0.689268990909448
Energy: 0.6685602244849814
Energy: 0.66998275872655
Energy: 0.7887902168850363
Energy: 0.6685878703331175
Energy: 0.6688395420123061
Energy: 0.7000651762780983
Energy: 0.699539414543431
Energy: 0.6690094032360269
Energy: 0.7370945185025765
Energy: 0.700269999134033
Energy: 0.7098452277253742
Energy: 0.6804899278060041
Energy: 0.6802024730103581
Energy: 0.7207833076450865
Energy: 0.6807438655649007
Energy: 0.6997232711082605
Energy: 0.6706811938034484
Energy: 0.6804836779289074
Energy: 0.6820525126853554
Energy: 0.6906152347211214
Energy: 0.6808941264058597
Energy: 0.6902627229894429
Energy: 0.7062327656818935
Energy: 0.694315457548824
Energy: 0.6941772596430938
Energy: 0.7058782534735937
Energy: 0.693220339780452
Energy: 0.6934628055332593
Energy: 0.7060744778693643
Energy: 0.7094258457023599
Energy: 0.7057691095013076
Energy: 0.7083946089844807
Energy: 0.6806378845412229
Energy: 0.7058437915645919
Energy: 0.9091218760861783
Energy: 0.7238619001743384
Energy: 0.7028576797364515
Energy: 0.7024961880645757
Energy: 0.723200798504281
Energy: 0.7025914555872563
Energy: 0.8498682819651865
Energy: 0.7485184046423319
Energy: 0.7482529129918417
Energy: 0.7047265715705272
Energy: 0.7485643530711675
Energy: 0.7039837540056657
Energy: 0.6697264516994335
Energy: 0.748464664663032
Energy: 0.7203510451441237
Energy: 0.7021462039516485
Energy: 0.7483516397976944
Energy: 0.7082931703255713
Energy: 0.7490409861189942
Energy: 0.748154132415619
Energy: 0.7344392260513282
Energy: 0.7753591412545322
Energy: 0.7490225611168949
Energy: 0.7289714969411173
Energy: 0.8189385513739865
Energy: 0.7323108411493027
Energy: 0.8152883271692696
Energy: 0.8208331855192412
Energy: 0.7060043933618154
Energy: 0.8153093266807889
Energy: 0.9753851175521973
Energy: 0.7148172370992323
Energy: 0.7353363543730698
Energy: 0.8168791392308401
Energy: 0.7143872082031016
Energy: 0.7230957799455048
Energy: 0.9730879457525626
Energy: 0.8046804715712221
Energy: 0.8060324517376901
Energy: 0.8159946410980494
Energy: 0.8104283541176445
Energy: 0.8021515364848569
Energy: 0.6826137657052443
Energy: 0.9201825163759114
Energy: 0.7672630309448664
Energy: 0.7263084699034563
Energy: 0.919988632848453
Energy: 0.7365324119181396
Energy: 0.9023102726349627
Energy: 0.8813454995565427
Energy: 0.8279883473745643
Energy: 0.8261197958329832
Energy: 0.9231253857958927
Energy: 0.8471481194696718
Energy: 0.9753817642877602
Energy: 0.7713401692276799
Energy: 0.7958309205645423
Energy: 0.818935568213514
Energy: 0.7241157070429682
Energy: 0.8815731364714515
Energy: 1.042422386743833
Energy: 0.7357572472251344
Energy: 0.7966884108850516
Energy: 0.9201695476360212
Energy: 0.7358906071664686
Energy: 0.7964191972867568
Energy: 0.96381139891439
Energy: 0.885166654776789
Energy: 0.8286885775491065
Energy: 0.9210331649773684
Energy: 0.9238849410187701
Energy: 0.7684160231446475

minimum gb energy = 0.6658243992472076 eV
minimum distance =  2.33064642132753 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.3458451364307365
Energy: 0.39987233986918613
Energy: 0.0584770168822405
Energy: 0.06133195314366215
Energy: 0.5768747538260757
Energy: 0.346224216299259
Energy: 0.4003451284069651
Energy: 0.6112847400795344
Energy: 0.6100747579590301
Energy: 0.6817786492203388
Energy: 0.6125512373628199
Energy: 0.6102938428366805
Energy: 0.658527186820013
Energy: 0.05891186356571003
Energy: 0.05889050558490976
Energy: 0.6818287585002566
Energy: 0.058824084606078596
Energy: 0.11677167820704898
Energy: 0.6354683492907227
Energy: 0.058894923360576376
Energy: 0.058879143610627106
Energy: 0.6389976208740491
Energy: 0.05891576697308133
Energy: 0.11497184960913386
Energy: 0.11436623272609532
Energy: 0.6913740360694653
Energy: 0.6915224044216188
Energy: 0.11558393980977101
Energy: 0.691343139261423
Energy: 0.6909710427994505
Energy: 0.060096507098075895
Energy: 0.6374208763995495
Energy: 0.05867230328589496
Energy: 0.058369997933479974
Energy: 0.6372101691696326
Energy: 0.05884666800561902
Energy: 0.6896658157931463
Energy: 0.6107208361939368
Energy: 0.6085244630071363
Energy: 0.6928850928424745
Energy: 0.6086929281210892
Energy: 0.6378988647139869
Energy: 0.6880687692862442
Energy: 0.058759392641593855
Energy: 0.05880870410135592
Energy: 0.6934199846954822
Energy: 0.058635158663288514
Energy: 0.05898844652426158
Energy: 0.6096737034748779
Energy: 0.05898916541080582
Energy: 0.11518271162995943
Energy: 0.6298085324675697
Energy: 0.05892443154381758
Energy: 0.11697652832587702
Energy: 0.34638142999401683
Energy: 0.6669946779198268
Energy: 0.6623239322335416
Energy: 0.058562260063338235
Energy: 0.6623792970825261
Energy: 0.6617231615962974

minimum gb energy = 0.058369997933479974 eV
minimum distance =  2.41773853504017 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.8677959066574572
Energy: 0.8801957329887965
Energy: 0.8452442747183055
Energy: 0.8136306895544458
Energy: 0.842983716540756
Energy: 0.7769287871054661
Energy: 0.8550935878136967
Energy: 0.838959276809351
Energy: 0.8395348596230178
Energy: 0.8409625793029432
Energy: 0.8416658804265632
Energy: 0.842747855352847
Energy: 0.8624959172343888
Energy: 0.7856796107131994
Energy: 0.7856258066273629
Energy: 0.8412327865186117
Energy: 0.786500720344705
Energy: 0.8300250043870129
Energy: 0.806043846841785
Energy: 0.7850777033084086
Energy: 0.7852318967162348
Energy: 0.8061914266626418
Energy: 0.725824378554518
Energy: 0.830444332259189
Energy: 0.7363216461340091
Energy: 0.8399272909370775
Energy: 0.8434256351883874
Energy: 0.7363496060162106
Energy: 0.8409668453541261
Energy: 0.8448357098163675
Energy: 0.8018410207384394
Energy: 0.8429201963712889
Energy: 0.7986866368432498
Energy: 0.6835424924960875
Energy: 0.842954215091151
Energy: 0.7257766798425443
Energy: 0.8279517822136415
Energy: 0.7467733273654623
Energy: 0.7489345092814149
Energy: 0.828976836775861
Energy: 0.7520410970522897
Energy: 0.842638443878143
Energy: 0.8067464195930399
Energy: 0.7381101156062739
Energy: 0.7373750045572994
Energy: 0.8068320470264081
Energy: 0.7260533279047607
Energy: 0.7364381827964027
Energy: 0.8258532850541564
Energy: 0.7367726994271011
Energy: 0.829657501424793
Energy: 0.7585392674848913
Energy: 0.689933444607185
Energy: 0.8297612564637629
Energy: 0.6979842890093831
Energy: 0.7466981895572857
Energy: 0.7460237271137371
Energy: 0.6979491017715677
Energy: 0.7502127566229944
Energy: 0.7699845027981856
Energy: 0.787543789790036
Energy: 0.7720607904761764
Energy: 0.7489017178960111
Energy: 0.6579610419300077
Energy: 0.7934907161332213
Energy: 0.6918915362843105
Energy: 0.696102734081244
Energy: 0.809133363359319
Energy: 0.7650078601083183
Energy: 0.6960343390867535
Energy: 0.6970889365586308
Energy: 0.6953554158678426
Energy: 0.6965431634324419
Energy: 0.756026943180272
Energy: 0.6986580913610017
Energy: 0.6971673583338377
Energy: 0.6433760608451701
Energy: 0.6987737030789694
Energy: 0.7785199083761484
Energy: 0.7268825532660436
Energy: 0.7773058552195956
Energy: 0.701215350314587
Energy: 0.66359512622192
Energy: 0.7804962024624938
Energy: 0.7729929772218496
Energy: 0.6620011323070524
Energy: 0.6617199254871577
Energy: 0.7729071713312337
Energy: 0.6652915560160876
Energy: 0.6621471777386584
Energy: 0.7727419276402477
Energy: 0.7234480319648426
Energy: 0.761733654010117
Energy: 0.76501958143132
Energy: 0.7676227960012304
Energy: 0.759800610366982
Energy: 0.6445380583935021
Energy: 0.7620826502470507
Energy: 0.7613289807831473
Energy: 0.644605991348253
Energy: 0.6651529964387376
Energy: 0.6446110429871971
Energy: 0.6450981090141238
Energy: 0.7537725858455595
Energy: 0.7539826073152794
Energy: 0.6453725775096301
Energy: 0.647951177554781
Energy: 0.754984129534034
Energy: 0.7628305435246476
Energy: 0.7090940109379995
Energy: 0.7535707167210373
Energy: 0.6468954641808141
Energy: 0.6475081024404645
Energy: 0.753455157513058
Energy: 0.7664293308528484
Energy: 0.6445525291415127
Energy: 0.644339395121055
Energy: 0.7681226128446204
Energy: 0.6512182230827224
Energy: 0.6446869243106862
Energy: 0.7666579693689096
Energy: 0.7604131164068647
Energy: 0.7625080399426397
Energy: 0.7641413007978518
Energy: 0.7841688899356377
Energy: 0.7615479462783612
Energy: 0.6635268643404747
Energy: 0.7604824510501733
Energy: 0.7118543170665643
Energy: 0.6625381308602477
Energy: 0.7606752435666493
Energy: 0.6622011279473148
Energy: 0.6619879422388362
Energy: 0.7836717334845461
Energy: 0.7001657522207695
Energy: 0.6620442216383169
Energy: 0.6994961701882592
Energy: 0.7002286067869976
Energy: 0.7778310821789507
Energy: 0.6995740282523376
Energy: 0.6990637301521352
Energy: 0.6492189202531031
Energy: 0.6980540559565933
Energy: 0.7610018047670771
Energy: 0.7298866372109271
Energy: 0.6960573489612591
Energy: 0.6957764243518831
Energy: 0.7292009875266576
Energy: 0.6967120677943139
Energy: 0.6958640943626729
Energy: 0.7989465658299424
Energy: 0.7180502293853331
Energy: 0.7170926664959255
Energy: 0.7936166476945461
Energy: 0.7568116325989548
Energy: 0.7470800749992484
Energy: 0.7502326341234445
Energy: 0.7834781278790086
Energy: 0.7156229138698892
Energy: 0.7474543090218987
Energy: 0.8033829354523643
Energy: 0.747090954422761
Energy: 0.7132396761376031
Energy: 0.7606480984492224
Energy: 0.8319929998927243
Energy: 0.7132109805483765
Energy: 0.7682916476090415
Energy: 0.8315455906680694
Energy: 0.795538765702942
Energy: 0.8074070507830666
Energy: 0.7700240665158887
Energy: 0.6678153041025653
Energy: 0.8067159448796466
Energy: 0.7081982986578025
Energy: 0.7463792131358189
Energy: 0.8104866267067262
Energy: 0.8075955750656698
Energy: 0.7465708958415745
Energy: 0.8073219648379495
Energy: 0.831722593649178
Energy: 0.8086117829639531
Energy: 0.758879441092004
Energy: 0.7607332213725452
Energy: 0.8087519252382591
Energy: 0.6630271373742666
Energy: 0.7578111680001854
Energy: 0.881836638095761
Energy: 0.8077362126438113
Energy: 0.8370510017129563
Energy: 0.8387499636907635
Energy: 0.7069104719466752
Energy: 0.809575279110348
Energy: 0.7569766178531312
Energy: 0.8064310750036999
Energy: 0.8053649251336159
Energy: 0.7569510928225596
Energy: 0.807367924693353
Energy: 0.80133695194529

minimum gb energy = 0.6433760608451701 eV
minimum distance =  2.28950155424506 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.0275867402907
Energy: 1.0392411147249432
Energy: 1.0041498285762072
Energy: 0.8310924763686129
Energy: 1.0475707929006568
Energy: 1.0064853001486715
Energy: 0.9762873643378699
Energy: 1.0108717315417861
Energy: 1.0010017968487142
Energy: 0.9997358640881845
Energy: 1.0094784435665878
Energy: 0.924705422754573
Energy: 1.035913750507863
Energy: 0.9186798271418446
Energy: 0.9927011496531808
Energy: 0.996016177452458
Energy: 0.9176347013407429
Energy: 0.9922975519811034
Energy: 0.9427133914031157
Energy: 0.9894216157479017
Energy: 0.9906278648550735
Energy: 0.9433425325148127
Energy: 0.8513793515184462
Energy: 0.9914340183362966
Energy: 0.9339363323661344
Energy: 1.012904638635615
Energy: 0.9232015721114026
Energy: 0.9340081250846337
Energy: 1.009229736245149
Energy: 0.9239656965729107
Energy: 0.9452507478590537
Energy: 0.9244666330921281
Energy: 0.926945140136469
Energy: 0.8591165551426091
Energy: 0.9238109694020575
Energy: 0.928639727670522
Energy: 0.9361879896986152
Energy: 0.8549180461273456
Energy: 0.8578285006274328
Energy: 0.9358713592612806
Energy: 0.859781315646551
Energy: 0.8560203889978947
Energy: 0.9389234746654904
Energy: 0.8214038307150059
Energy: 0.9377516555306372
Energy: 0.9381976353987468
Energy: 0.8121552704048917
Energy: 0.8609883270730291
Energy: 0.952326236774136
Energy: 0.8559586136481114
Energy: 0.8588955641821546
Energy: 0.9558043957262101
Energy: 0.8552032384171994
Energy: 0.8612712716972968
Energy: 0.887710434757733
Energy: 0.8622110464620888
Energy: 0.8568111049503094
Energy: 0.8874843796649817
Energy: 0.8588979894884221
Energy: 0.857464230846072
Energy: 0.812763143649039
Energy: 0.8913967955974401
Energy: 0.857843549575596
Energy: 0.812621293367643
Energy: 0.9306280297024662
Energy: 0.9390456418947124
Energy: 0.811822182925236
Energy: 0.8922665276786556
Energy: 0.9379782460839234
Energy: 0.811726145453609
Energy: 0.8883067223219853
Energy: 0.8102118649249119
Energy: 0.8113567558297929
Energy: 0.8086208408592575
Energy: 0.927840407056682
Energy: 0.811303114846107
Energy: 0.8147816485475876
Energy: 0.8100016051809666
Energy: 0.9264185944750303
Energy: 0.8845387287110575
Energy: 0.9281082162421216
Energy: 0.811892908422618
Energy: 0.8746898192572281
Energy: 0.927441412726957
Energy: 0.9279958783199147
Energy: 0.8158124144101666
Energy: 0.8113295205994636
Energy: 0.9268374154661954
Energy: 0.812525185327192
Energy: 0.8111150094547934
Energy: 0.9282307088161967
Energy: 0.947368950940297
Energy: 0.941490998477763
Energy: 0.8832512326549197
Energy: 0.8831171416414796
Energy: 0.9385554298498495
Energy: 0.8636443961916768
Energy: 0.7958967080417712
Energy: 0.9259376202116889
Energy: 0.8647543100899611
Energy: 0.8012506178888636
Energy: 0.8559940551480716
Energy: 0.8569835455473909
Energy: 0.9654601887731397
Energy: 0.8588941316835058
Energy: 0.8572292060653893
Energy: 0.862248676119671
Energy: 0.8554135516804634
Energy: 0.9265776457641697
Energy: 0.9535396848791021
Energy: 0.8888149551348741
Energy: 0.8268852815760622
Energy: 0.9534483324509339
Energy: 0.8910558498747677
Energy: 0.8586869385596351
Energy: 0.9415542032048432
Energy: 0.861419911623925
Energy: 0.8590208707576058
Energy: 0.9390452872349911
Energy: 0.8606113976706716
Energy: 0.9382275756742435
Energy: 0.9551494194117317
Energy: 0.8203674399702323
Energy: 0.9385923993624606
Energy: 0.9745478622359426
Energy: 0.8199003761100143
Energy: 1.0347788738860213
Energy: 0.9002328636797452
Energy: 0.8205649985645127
Energy: 0.9961487540939058
Energy: 0.8978878937960785
Energy: 0.8204781178053412
Energy: 0.9762480740318487
Energy: 0.9459738745736279
Energy: 0.9363557204236177
Energy: 0.976856066760322
Energy: 0.9416191896749047
Energy: 0.8714931250461937

minimum gb energy = 0.7958967080417712 eV
minimum distance =  2.29078519344639 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.2351304149397313
Energy: 1.177476799499781
Energy: 1.0690816609188507
Energy: 0.8962064654956524
Energy: 1.1687110254706248
Energy: 1.128114358057375
Energy: 1.1788574879538436
Energy: 0.9836782952612632
Energy: 0.9806201202441656
Energy: 1.0391993115170501
Energy: 0.9807774891402247
Energy: 0.9421142386632052
Energy: 1.2220032290218612
Energy: 1.0062124415951608
Energy: 1.1432078673566937
Energy: 1.0398364504881537
Energy: 1.0809476070312962
Energy: 1.1443852880395076
Energy: 1.124920363232465
Energy: 1.1450863030166054
Energy: 0.9701391239594007
Energy: 1.1258703167004085
Energy: 1.0395811061154914
Energy: 1.0848650587344628
Energy: 1.0712203622280816
Energy: 0.9819441061352364
Energy: 0.9417590680719309
Energy: 1.0723097390928515
Energy: 0.9916489028769673
Energy: 0.9428696363544169
Energy: 1.1303090908866906
Energy: 1.0313423778544353
Energy: 1.0309059820824076
Energy: 0.986377129245642
Energy: 1.0305193713588032
Energy: 0.9798499674319269
Energy: 1.07154501304935
Energy: 1.0314246837723964
Energy: 1.030264356024838
Energy: 1.0726581552814878
Energy: 1.0323709257113836
Energy: 0.9976508219237785
Energy: 1.0718849153850984
Energy: 1.0627897792317011
Energy: 1.0805989692240663
Energy: 1.0728274782784086
Energy: 1.058150383341319
Energy: 0.9999141768141794
Energy: 1.1102817597496073
Energy: 1.0421494313864874
Energy: 1.051176494669344
Energy: 0.9930892251105924
Energy: 0.9855596625299958
Energy: 1.0544214774792344
Energy: 1.1115283239728735
Energy: 0.9859681332122421
Energy: 0.9858726812881538
Energy: 1.113289945956645
Energy: 0.9875690354484595
Energy: 0.9852449953970123
Energy: 1.0307192798613962
Energy: 1.0146440782522175
Energy: 1.0226339163721851
Energy: 1.0336276425121478
Energy: 1.0438144923133408
Energy: 1.0425044015527714
Energy: 0.9876852335944367
Energy: 1.0549917117222256
Energy: 1.0670659138859322
Energy: 0.9872885570023814
Energy: 1.0150893461428196
Energy: 0.9873223110201681
Energy: 0.9879649648368466
Energy: 0.9990247952653196
Energy: 1.1130506122158703
Energy: 0.9876389682681215
Energy: 0.9994728911397813
Energy: 0.9873522976299798
Energy: 0.9283335104582402
Energy: 0.9970479190470124
Energy: 1.0505511181216753
Energy: 0.9631598251467144
Energy: 1.0434955674887687
Energy: 1.0378732921893108
Energy: 0.9298511525818857
Energy: 1.0835629276509213
Energy: 1.081243883219265
Energy: 0.9292187381237706
Energy: 1.0843367939044395
Energy: 1.080230462409525
Energy: 1.00457493641003
Energy: 0.9479465884609444
Energy: 0.9807200519075655
Energy: 1.0048493585380442
Energy: 0.9879967025070976
Energy: 1.004137561866
Energy: 1.194654833281526
Energy: 1.0198480129314014
Energy: 1.1060357456691563
Energy: 1.1953058276231576
Energy: 1.0258983677330769
Energy: 0.9491526945716788
Energy: 1.1918517299770475
Energy: 1.071806361371152
Energy: 1.0706615516232225
Energy: 1.0561250575194534
Energy: 1.0826822811981065
Energy: 1.1665194568153072
Energy: 1.1137588035449528
Energy: 1.057697535268988
Energy: 0.9480102335337091
Energy: 0.9412541436239064
Energy: 1.0869131930174185
Energy: 1.040441501244674
Energy: 1.0629185715242007
Energy: 1.083435042986818
Energy: 1.0838947421625855
Energy: 1.063479837494413
Energy: 1.1950616369115714
Energy: 1.0808741924123102
Energy: 1.1990111939857078
Energy: 1.1456255912391444
Energy: 0.9667837678111706
Energy: 1.1999130555148059
Energy: 1.1015835653401675
Energy: 1.0454510175910423
Energy: 1.0849939560570976
Energy: 1.006362421431207
Energy: 1.143054710033829
Energy: 1.0852832384983602
Energy: 1.005722636688219
Energy: 1.1434052923446922
Energy: 1.0751408264236382
Energy: 1.0159774776924788
Energy: 1.0163746489389283
Energy: 1.0748733591151434
Energy: 1.081343161251185
Energy: 1.0158997525162763
Energy: 1.1296904108986423
Energy: 0.9891842299970108
Energy: 0.9891226114152188
Energy: 0.988026439102464
Energy: 0.9879807017458312
Energy: 1.0634136863571595
Energy: 1.0741831975776637
Energy: 0.9878762684295664
Energy: 0.9876625483391597
Energy: 1.074286541670062
Energy: 0.9880739003349781
Energy: 1.0000040458031587
Energy: 1.0806814005638572
Energy: 1.0575961254175805
Energy: 1.062639450670462
Energy: 1.0758470469330046
Energy: 1.0528112271434376
Energy: 1.0050545848734134
Energy: 1.1094970900560894
Energy: 1.0210973100123186
Energy: 1.0429643700042903
Energy: 1.050623185867261
Energy: 0.986142679100082
Energy: 1.0475168435318953
Energy: 1.1093016117157226
Energy: 0.9858255751980309
Energy: 0.9853750907992103
Energy: 1.1112724347153473
Energy: 0.9887063942611802
Energy: 0.9851513183636373
Energy: 1.1171780132301423
Energy: 1.0435243700734569
Energy: 1.071057348550809
Energy: 0.9964113979982386
Energy: 0.9866584389134309
Energy: 1.0210425912299286
Energy: 0.9850574863613487
Energy: 1.0409334447610807
Energy: 1.0641128223595366
Energy: 0.9859796443996303
Energy: 1.012047003220884
Energy: 0.9854824864027303
Energy: 0.9856156623305024
Energy: 1.0344527390201894
Energy: 0.9865080770211437
Energy: 0.9864172801901491
Energy: 1.0365067019204928
Energy: 0.9849741579571617
Energy: 0.9313317270105421
Energy: 1.092435393681224
Energy: 1.0936465933622779
Energy: 0.9646704884909156
Energy: 1.0778983001784312
Energy: 0.9946489313599975
Energy: 0.929442810722528
Energy: 0.9854682394491662
Energy: 0.9743485730179376
Energy: 0.92820786837523
Energy: 0.9801351406151196
Energy: 0.9463069963679162
Energy: 0.9987358457461315
Energy: 1.0384725094806067
Energy: 0.9983809219506705
Energy: 0.999706811415843
Energy: 0.9878409341664369
Energy: 0.9198884430065942
Energy: 1.23808473668606
Energy: 1.019820339475643
Energy: 0.9900083442926838
Energy: 1.133943261828254
Energy: 0.9624361031845877
Energy: 1.1182349210283722
Energy: 1.2117555846212764
Energy: 0.9807149590222409
Energy: 1.0191096418689956
Energy: 1.0372704070508922
Energy: 1.01889799522569
Energy: 1.0028361315781498
Energy: 1.1639269828821506
Energy: 0.9809559856947477
Energy: 0.9442657149120612
Energy: 0.9480986804141766
Energy: 0.981170929489713
Energy: 1.1021195218892759

minimum gb energy = 0.8962064654956524 eV
minimum distance =  2.25701528516816 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.443301083105554
Energy: 1.2322826171692305
Energy: 1.2335166663094201
Energy: 1.054850239587564
Energy: 1.1621462731282395
Energy: 1.234941450825368
Energy: 1.1434674830265585
Energy: 1.1196117301207071
Energy: 1.1165444262473305
Energy: 1.1154932950571392
Energy: 1.1186850511969466
Energy: 1.0849270739175274
Energy: 1.273671195453763
Energy: 1.0645987601707934
Energy: 1.0574310865070562
Energy: 1.1154001977300367
Energy: 1.0937407430207309
Energy: 1.1125715697941077
Energy: 1.1146010917654423
Energy: 1.062360177402184
Energy: 1.059407758761497
Energy: 1.1145902888694257
Energy: 1.0831380921022264
Energy: 1.0929059783278983
Energy: 1.0911277882767845
Energy: 1.1158940139069835
Energy: 1.116133564996121
Energy: 1.0912421366847558
Energy: 1.1164412749659691
Energy: 1.0631841487197597
Energy: 1.118504114644532
Energy: 1.1218089107291387
Energy: 1.0859193779438667
Energy: 1.105328792516645
Energy: 1.1209721956453742
Energy: 1.0601077740906233
Energy: 1.0901308214899168
Energy: 1.064475879967386
Energy: 1.084972855281068
Energy: 1.0901206475514849
Energy: 1.0647112505968204
Energy: 1.0625543907851962
Energy: 1.0951103961151631
Energy: 1.062405739496936
Energy: 1.0641296757169687
Energy: 1.0965406896071774
Energy: 1.0632059950427002
Energy: 1.0909269274309037
Energy: 1.1582181093020407
Energy: 1.0673101118001616
Energy: 1.0617134044153542
Energy: 1.162024821615714
Energy: 1.1226777422065475
Energy: 1.0597074487300056
Energy: 1.120456616494396
Energy: 1.0989336861001684
Energy: 1.0906623485212763
Energy: 1.1017456806761619
Energy: 1.0925275216843413
Energy: 1.0614752311897848
Energy: 1.2085492390703758
Energy: 1.118740001822408
Energy: 1.0625829632037198
Energy: 1.2112155797713582
Energy: 1.032922374986679
Energy: 1.172866525876462
Energy: 1.2689078600460448
Energy: 1.0335409618223532
Energy: 1.034408338343564
Energy: 1.2700163049936395
Energy: 1.0333747340642163
Energy: 1.114783671228675
Energy: 1.2820470693883734
Energy: 1.0907791912993983
Energy: 1.1164780824789104
Energy: 1.1166938105472075
Energy: 1.0909482971633109
Energy: 1.0876341476650007
Energy: 1.0324912091326537
Energy: 1.1159522481324184
Energy: 1.0589931346969141
Energy: 1.041301678177045
Energy: 1.1156025487687014
Energy: 1.034427291898618

minimum gb energy = 1.0324912091326537 eV
minimum distance =  2.30795274867178 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.8259500813951042
Energy: 1.2443782002899046
Energy: 1.2680400297317242
Energy: 1.2683812710920797
Energy: 1.2780961832463666
Energy: 1.234673260917209
Energy: 1.3496664673834262
Energy: 1.2090203025271922
Energy: 1.2097419475206959
Energy: 1.2622547855573554
Energy: 1.208900628550199
Energy: 1.2127232708175222
Energy: 1.4396282355361614
Energy: 1.2490235297058514
Energy: 1.2512987248374232
Energy: 1.4419509343303507
Energy: 1.1943385570991225
Energy: 1.2507820133146366
Energy: 1.274157328574478
Energy: 1.1930226162997086
Energy: 1.237808198817166
Energy: 1.2138589244405025
Energy: 1.1936362297819234
Energy: 1.2380320822493114
Energy: 1.2470585944961865
Energy: 1.2090426864451242
Energy: 1.2092932697949954
Energy: 1.231068643331705
Energy: 1.208870258764833
Energy: 1.2092458022791155
Energy: 1.2731419330048548
Energy: 1.2320484642217093
Energy: 1.2229857212849058
Energy: 1.2100297734235743
Energy: 1.231549142015198
Energy: 1.2352304953784183
Energy: 1.2309869323458167
Energy: 1.2349263267251933
Energy: 1.2348487513661506
Energy: 1.2309427345871191
Energy: 1.2174159203325414
Energy: 1.236077228758763
Energy: 1.2295600180356523
Energy: 1.21920232350437
Energy: 1.2107192269373552
Energy: 1.209693258374861
Energy: 1.249669618602164
Energy: 1.2098718337996397
Energy: 1.2456421680035206
Energy: 1.2653044927957757
Energy: 1.239342980894768
Energy: 1.2152067755185216
Energy: 1.2115352308099119
Energy: 1.2116682116520867
Energy: 1.2315754230541618
Energy: 1.2649145971893718
Energy: 1.2378030063216199
Energy: 1.2155263878111595
Energy: 1.2134327045218092
Energy: 1.2000532389925476
Energy: 1.2304029232378058
Energy: 1.2287501372624876
Energy: 1.2105872578845736
Energy: 1.2095345169218001
Energy: 1.2229907028342955
Energy: 1.210158075629576
Energy: 1.2098389360700679
Energy: 1.2406699818430076
Energy: 1.2437080977379316
Energy: 1.210473461971742
Energy: 1.2483205790282823
Energy: 1.2408629841395085
Energy: 1.2086848202070628
Energy: 1.2463928924397196
Energy: 1.2117302717597156
Energy: 1.2088581110678551
Energy: 1.2560295899530165
Energy: 1.212878013665872
Energy: 1.2305311393838705
Energy: 1.2895150972132647
Energy: 1.2501302361774074
Energy: 1.2370245978231564
Energy: 1.2124753881185555
Energy: 1.2460562927145402
Energy: 1.1951511314079124
Energy: 1.2124593113498559
Energy: 1.268010985637389
Energy: 1.1953891189420274
Energy: 1.212260607094908
Energy: 1.196100681378529
Energy: 1.1958951865166616
Energy: 1.2595940548847324
Energy: 1.1954957339008767
Energy: 1.1978102070481353
Energy: 1.211653445173039
Energy: 1.1953681154232036
Energy: 1.1949802943159404
Energy: 1.237037075277026
Energy: 1.1953956949795552
Energy: 1.1951628898066884
Energy: 1.2125800654100836
Energy: 1.206243829120046
Energy: 1.2545170838528656
Energy: 1.2322180074808893
Energy: 1.2116279485802082
Energy: 1.2204280014701612
Energy: 1.2564264104304619
Energy: 1.2338835710467084
Energy: 1.2264171371803103
Energy: 1.2110566163593728
Energy: 1.2113026184250197
Energy: 1.226295443970368
Energy: 1.2108611393614817
Energy: 1.2313959511295298
Energy: 1.2410151511039629
Energy: 1.251407096278064
Energy: 1.2345933168312755
Energy: 1.2150873304730812
Energy: 1.1972811894521276
Energy: 1.2398592462223939
Energy: 1.3157874915352288
Energy: 1.1973515987607308
Energy: 1.2404819710028439
Energy: 1.212779573110281
Energy: 1.2229715573475126
Energy: 1.2322595842173139
Energy: 1.226399101876395
Energy: 1.23603684003402
Energy: 1.2323988064510922
Energy: 1.206628661729407
Energy: 1.2119146526440343
Energy: 1.231382995452386
Energy: 1.2442213660016757
Energy: 1.2369726373540466
Energy: 1.2400385644558467
Energy: 1.233089654595282
Energy: 1.236828483325936
Energy: 1.2467766733230563
Energy: 1.3128872764809747
Energy: 1.2262513090523477
Energy: 1.2519378897689635
Energy: 1.2260030584281618
Energy: 1.2261203114782921
Energy: 1.2117497759865758
Energy: 1.3101739399405976
Energy: 1.234420328107219
Energy: 1.2358752395016661
Energy: 1.3119988846536226
Energy: 1.218380291743295
Energy: 1.2415796536403154
Energy: 1.2983118199232377
Energy: 1.2218230843299138
Energy: 1.2064895990875568
Energy: 1.2154928529640698
Energy: 1.1953883980622795
Energy: 1.19540915909313
Energy: 1.29525002201456
Energy: 1.195011056033694
Energy: 1.1944458069730912
Energy: 1.2123502373013109
Energy: 1.1985602845523469
Energy: 1.1959641893666269
Energy: 1.2957936308992908
Energy: 1.21631082029585
Energy: 1.1963188295233693
Energy: 1.2219604928316212
Energy: 1.195675965133821
Energy: 1.19651902985548
Energy: 1.3149544644863866
Energy: 1.2369495400691999
Energy: 1.2385271673349396
Energy: 1.3141535080203506
Energy: 1.2102559437070992
Energy: 1.2365184318809832
Energy: 1.4231378651561966
Energy: 1.2092313045120053
Energy: 1.209713525468703
Energy: 1.2365211621131074
Energy: 1.2087270248177278
Energy: 1.2348577007862076
Energy: 1.2759148519502004
Energy: 1.2101122441305492
Energy: 1.242993877491388
Energy: 1.2524739663638895
Energy: 1.2115474965575743
Energy: 1.2390455546843626

minimum gb energy = 1.1930226162997086 eV
minimum distance =  2.292463282414 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.6549816673003606
Energy: 1.3646834590437655
Energy: 1.358641253794726
Energy: 1.3571413835186745
Energy: 1.8033277884639358
Energy: 1.3581867720540777
Energy: 1.1685212065891448
Energy: 1.2098488039978799
Energy: 1.2039486564327218
Energy: 1.2038573824031187
Energy: 1.2090505643842748
Energy: 1.2068995212503948
Energy: 1.2795514717022958
Energy: 1.2361527353311876
Energy: 1.1978310144792268
Energy: 1.2797267867693776
Energy: 1.1985408564479236
Energy: 1.2122922111414547
Energy: 1.2022138495835517
Energy: 1.215862887642166
Energy: 1.2026960332340184
Energy: 1.2042150527629505
Energy: 1.1988192182441422
Energy: 1.203796989618483
Energy: 1.202051130085519
Energy: 1.2114957865440645
Energy: 1.2172832375982623
Energy: 1.2031281491916146
Energy: 1.2059756451194108
Energy: 1.2066390675037313
Energy: 1.2037498626027545
Energy: 1.2053942067331331
Energy: 1.2021565753100898
Energy: 1.206829225427772
Energy: 1.2824837399698863
Energy: 1.2087933021485657
Energy: 1.2764941603048858
Energy: 1.2374364282955261
Energy: 1.242807961213419
Energy: 1.2781765926092692
Energy: 1.2297472894001626
Energy: 1.2032571423718592
Energy: 1.3292455367570766
Energy: 1.2140227024400165
Energy: 1.2052234506773238
Energy: 1.2072483389379547
Energy: 1.2028927446129343
Energy: 1.2039634289615462
Energy: 1.1713781841096977
Energy: 1.2082365077237331
Energy: 1.2332747596116025
Energy: 1.1688226324450817
Energy: 1.2044313046365591
Energy: 1.2404105426382417
Energy: 1.2393958039543116
Energy: 1.2064571745829349
Energy: 1.2337848314972042
Energy: 1.168597628365191
Energy: 1.2037161946630737
Energy: 1.2417389272075086
Energy: 1.3286845552051894
Energy: 1.215337087584695
Energy: 1.2192345791107693
Energy: 1.207765440759242
Energy: 1.2042408662309825
Energy: 1.2032537125715848
Energy: 1.261207479425986
Energy: 1.2355769875550144
Energy: 1.2119520344110406
Energy: 1.2614720056130928
Energy: 1.2348434408485718
Energy: 1.2032565194366556
Energy: 1.2035015994421316
Energy: 1.2096055587941066
Energy: 1.205387511744739
Energy: 1.203165210002124
Energy: 1.2043945598037944
Energy: 1.2041398830425567
Energy: 1.2046060604544406
Energy: 1.2784290453288318
Energy: 1.2038576507066496
Energy: 1.209948349528825
Energy: 1.2801695391702732
Energy: 1.2079734536765603
Energy: 1.2027333538051455
Energy: 1.2277150298069572
Energy: 1.2033918672050472
Energy: 1.20286087350159
Energy: 1.2204002184490277
Energy: 1.203682236719559
Energy: 1.291635454494607
Energy: 1.2306672086741213
Energy: 1.237349681685713
Energy: 1.2791673158285983
Energy: 1.2220426123847643
Energy: 1.2153808754739148
Energy: 1.1687229914646529
Energy: 1.2089645174757129
Energy: 1.2037137164880332
Energy: 1.1682966231803948
Energy: 1.203100782459119
Energy: 1.2217699102908104

minimum gb energy = 1.1682966231803948 eV
minimum distance =  2.30619907892733 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.0159198948142407
Energy: 1.3748395070328083
Energy: 1.2991052429237508
Energy: 1.274785494460675
Energy: 1.3618191565002118
Energy: 1.4209357242343597
Energy: 1.31998927881968
Energy: 1.306924092134214
Energy: 1.285400399371506
Energy: 1.279615781771103
Energy: 1.287030646126291
Energy: 1.2841506001621523
Energy: 1.2861314618391568
Energy: 1.2779443034304763
Energy: 1.2817274883281782
Energy: 1.2871527061090844
Energy: 1.2772041754332013
Energy: 1.28297821764741
Energy: 1.2657368010964483
Energy: 1.27972721046902
Energy: 1.3035736854165247
Energy: 1.2660580900615974
Energy: 1.2791209600286708
Energy: 1.2814084906408094
Energy: 1.3348078613370984
Energy: 1.2479331716504583
Energy: 1.2407275584610302
Energy: 1.2412664427187472
Energy: 1.2890204524840534
Energy: 1.2406289596369784
Energy: 1.2833134910595143
Energy: 1.2864573672373039
Energy: 1.2835934309071704
Energy: 1.2849958010342144
Energy: 1.2849088750021294
Energy: 1.2831955254876979
Energy: 1.2625104790128734
Energy: 1.2828945572205188
Energy: 1.2719018605451595
Energy: 1.2634625337671657
Energy: 1.2881968898144482
Energy: 1.2685360543223116
Energy: 1.3077907830257223
Energy: 1.2793918799072828
Energy: 1.2895643815362032
Energy: 1.2596651357394277
Energy: 1.2799279731455189
Energy: 1.2743688392232448
Energy: 1.3445528230991244
Energy: 1.2475788843994702
Energy: 1.2399322138480173
Energy: 1.3018752614415654
Energy: 1.266968800036667
Energy: 1.2803955076319211
Energy: 1.3091148256335319
Energy: 1.2681182648346692
Energy: 1.2402244830606293
Energy: 1.3136380588853058
Energy: 1.2627218818622814
Energy: 1.2403528136999156
Energy: 1.307598877295695
Energy: 1.270222322813896
Energy: 1.2716735294359849
Energy: 1.2622246675610067
Energy: 1.2888601795661072
Energy: 1.2422725970651023
Energy: 1.309537309888461
Energy: 1.2808440885119208
Energy: 1.2808742929674009
Energy: 1.286235460363605
Energy: 1.2796280486833855
Energy: 1.2813417368366242
Energy: 1.3469825467046734
Energy: 1.2777932997927557
Energy: 1.283038124326344
Energy: 1.2948320662304005
Energy: 1.2722251886888634
Energy: 1.2811336649225464
Energy: 1.307397615542152
Energy: 1.2778077670488401
Energy: 1.2797634968482334
Energy: 1.2953831702922685
Energy: 1.2424633384254435
Energy: 1.2812994834764426
Energy: 1.308138316593408
Energy: 1.2381408072322264
Energy: 1.238583090765287
Energy: 1.2882270311306434
Energy: 1.2714092312829457
Energy: 1.2441835677820694
Energy: 1.2866574582174257
Energy: 1.2764131327900685
Energy: 1.2369694756173877
Energy: 1.2879910479068102
Energy: 1.2659042405497236
Energy: 1.2374327195387749
Energy: 1.291279172824912
Energy: 1.3026363849843379
Energy: 1.3103415107772611
Energy: 1.2925434051698044
Energy: 1.2781600163703886
Energy: 1.280978706491734
Energy: 1.4480986708076125
Energy: 1.2642722965968756
Energy: 1.2449394232918416
Energy: 1.2797652172692313
Energy: 1.2907377269364886
Energy: 1.2442833500283332
Energy: 1.2858938721952744
Energy: 1.280663507926703
Energy: 1.2816269572774497
Energy: 1.2861585130937394
Energy: 1.2655306355015383
Energy: 1.2810777092883618
Energy: 1.287488364256892
Energy: 1.2805539851625725
Energy: 1.281229670724429
Energy: 1.264259272102672
Energy: 1.3041397876963468
Energy: 1.280619483510282
Energy: 1.2898176501976946
Energy: 1.2870195635430273
Energy: 1.2449684273276302
Energy: 1.2523001034081596
Energy: 1.2917065912514163
Energy: 1.2455715235961249

minimum gb energy = 1.2369694756173877 eV
minimum distance =  2.30279084761335 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.8681841831054762
Energy: 1.2561904794662817
Energy: 1.2609923597280148
Energy: 1.2623827519477122
Energy: 1.3079357036512351
Energy: 1.2628970793307097
Energy: 1.270660350967441
Energy: 1.2572675575959964
Energy: 1.2616784448946032
Energy: 1.2749588401374339
Energy: 1.2820125495037022
Energy: 1.2574429509127383
Energy: 1.26109740518999
Energy: 1.2443783505656494
Energy: 1.2762606771153278
Energy: 1.2494618616129332
Energy: 1.2778471902717057
Energy: 1.3111550875969447
Energy: 1.2753569559812794
Energy: 1.2578061397859535
Energy: 1.2576176323472028
Energy: 1.2734315084340673
Energy: 1.2571074149530541
Energy: 1.2761364819557917
Energy: 1.2866807636481796
Energy: 1.2416132062487502
Energy: 1.24803624885306
Energy: 1.285632287283462
Energy: 1.2525937398090676
Energy: 1.262576316281458
Energy: 1.3007660007649242
Energy: 1.273967475950773
Energy: 1.2749732155048874
Energy: 1.296079334961567
Energy: 1.2719696157271252
Energy: 1.2754246962610658
Energy: 1.2414365949818102
Energy: 1.2461128292298995
Energy: 1.2466535775482028
Energy: 1.2410844425034073
Energy: 1.244496373912901
Energy: 1.2470090824175195
Energy: 1.3294091847184921
Energy: 1.247699119679314
Energy: 1.247472961442873
Energy: 1.2464439640234029
Energy: 1.3185707802648479
Energy: 1.2470443965193332
Energy: 1.272825902451274
Energy: 1.2462592865176565
Energy: 1.2464673058109819
Energy: 1.2827642235497265
Energy: 1.2740617124796134
Energy: 1.2469975258979558
Energy: 1.2844714269521147
Energy: 1.2920834633955998
Energy: 1.2831150670395697
Energy: 1.2818117748965843
Energy: 1.2856676907490578
Energy: 1.285059553946491
Energy: 1.3187413018015264
Energy: 1.302755115786405
Energy: 1.297512165372068
Energy: 1.3202328844947953
Energy: 1.2484600057041149
Energy: 1.2946663482720993
Energy: 1.2997925846710652
Energy: 1.2946214804349492
Energy: 1.2924110703040987
Energy: 1.2784422071308401
Energy: 1.2900188791472915
Energy: 1.29178715789103
Energy: 1.395089399808356
Energy: 1.2916510725333348
Energy: 1.294092547894978
Energy: 1.2795069567762156
Energy: 1.2466447883759573
Energy: 1.2948379753996557
Energy: 1.388879470327838
Energy: 1.277301396456289
Energy: 1.2792552041983043
Energy: 1.283422705085781
Energy: 1.2858058280969886
Energy: 1.279353422344866
Energy: 1.3003829361966583
Energy: 1.2897720455738246
Energy: 1.2886620521652214
Energy: 1.301028030875921
Energy: 1.2904830090884636
Energy: 1.2882982287767428
Energy: 1.2862004854609366
Energy: 1.2729622578199948
Energy: 1.2758430708310737
Energy: 1.2965501516919045
Energy: 1.2807643334996095
Energy: 1.2725804428022378
Energy: 1.2851038219558564
Energy: 1.2867539237303822
Energy: 1.2888305425397981
Energy: 1.3012848962810488
Energy: 1.276367342947576
Energy: 1.2907293067621595
Energy: 1.3100798850545814
Energy: 1.2721965374788922
Energy: 1.2477697311533649
Energy: 1.2761223607547916
Energy: 1.2675275731249402
Energy: 1.2490351363196532
Energy: 1.2707912184922006
Energy: 1.2470944088861018
Energy: 1.2477350949686277
Energy: 1.2692677767088734
Energy: 1.2468755208937483
Energy: 1.247881052859863
Energy: 1.2606603619098062
Energy: 1.2470676409227064
Energy: 1.2478758003151875
Energy: 1.2612441217498738
Energy: 1.246964162398303
Energy: 1.2478732201761766
Energy: 1.260150471405217
Energy: 1.2448980173465474
Energy: 1.2479536520061092
Energy: 1.2452619436473698
Energy: 1.2433655461037525
Energy: 1.2496346906270934
Energy: 1.2795850412759213
Energy: 1.2547765210096933
Energy: 1.2550842241153346
Energy: 1.279182036178825
Energy: 1.2934945615159734
Energy: 1.2569672044323617
Energy: 1.3080836173605397
Energy: 1.2412730312050617
Energy: 1.2748405248995567
Energy: 1.2406541881640958
Energy: 1.2412650888991046
Energy: 1.2788340492090222
Energy: 1.259997812829972
Energy: 1.2683836660034362
Energy: 1.2739825445389326
Energy: 1.2499623890541935
Energy: 1.2558192456662676
Energy: 1.2715061520361912
Energy: 1.402122979437454
Energy: 1.2975247725145698
Energy: 1.2966627612991246
Energy: 1.2505424556169198
Energy: 1.28454179408699
Energy: 1.2454941224546376

minimum gb energy = 1.2406541881640958 eV
minimum distance =  2.25905244251774 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.3183292681356034
Energy: 1.2172497836083
Energy: 1.2398551006784728
Energy: 1.2622191942842784
Energy: 1.2143688576394702
Energy: 1.2395750780236827
Energy: 1.2696142111250386
Energy: 1.2475015311605309
Energy: 1.2476562852754118
Energy: 1.250001421801068
Energy: 1.2469681916126831
Energy: 1.2472461842076494
Energy: 1.2826219689116873
Energy: 1.2481877874725062
Energy: 1.2479402727255464
Energy: 1.2586841367910746
Energy: 1.247380298063394
Energy: 1.2486395286009795
Energy: 1.2782292418389796
Energy: 1.248377557628256
Energy: 1.2498210240502894
Energy: 1.2467132117710187
Energy: 1.2771886008984568
Energy: 1.2486585655071598
Energy: 1.28134798085587
Energy: 1.254061880745381
Energy: 1.249870711511438
Energy: 1.2626370804887035
Energy: 1.2614202333863451
Energy: 1.2508885251742519
Energy: 1.294516970652486
Energy: 1.3075245161763902
Energy: 1.247303587703314
Energy: 1.2927056167263251
Energy: 1.241675842626822
Energy: 1.2478742435221222
Energy: 1.3001927444666324
Energy: 1.256695968364013
Energy: 1.2541653475490229
Energy: 1.2874795474767717
Energy: 1.2443957344659389
Energy: 1.2516176810644513
Energy: 1.2770053364890868
Energy: 1.2454248859334551
Energy: 1.247150490487721
Energy: 1.2471640091454668
Energy: 1.2449017564119247
Energy: 1.245002629149729
Energy: 1.2595260024442838
Energy: 1.2462449519809473
Energy: 1.2477065342679508
Energy: 1.2483089431288361
Energy: 1.2525892607638722
Energy: 1.2481026590571838
Energy: 1.2598772084353584
Energy: 1.2672931426633278
Energy: 1.2483568809020997
Energy: 1.2475074300948579
Energy: 1.2691701949251806
Energy: 1.2471428104616245
Energy: 1.2780400480552168
Energy: 1.2314849794873373
Energy: 1.2306794999213229
Energy: 1.2774641471116805
Energy: 1.2321937815841564
Energy: 1.2309331031774893
Energy: 1.267934231473521
Energy: 1.249499089029876
Energy: 1.2292668161463474
Energy: 1.210649986230862
Energy: 1.2063716900585122
Energy: 1.2172013909000083
Energy: 1.298016735662252
Energy: 1.2534247332167567
Energy: 1.2510994285663553
Energy: 1.249887857226243
Energy: 1.2576247530710964
Energy: 1.251533274133459
Energy: 1.3346723654328279
Energy: 1.26100649203891
Energy: 1.2575836278993413
Energy: 1.2344215787812562
Energy: 1.264665757047741
Energy: 1.248657071953101
Energy: 1.2677376626824717
Energy: 1.229561974970969
Energy: 1.2292661612285443
Energy: 1.2342342900223393
Energy: 1.2302762298168874
Energy: 1.218777933081169
Energy: 1.2684086624120936
Energy: 1.2341656028597294
Energy: 1.2294586223658999
Energy: 1.2234237338688805
Energy: 1.2295562827930453
Energy: 1.2283377647140619
Energy: 1.273640563789327
Energy: 1.2653982610688328
Energy: 1.26020765282735
Energy: 1.2321939736641576
Energy: 1.26833418721398
Energy: 1.2598410413360588
Energy: 1.3093686470201915
Energy: 1.2072721632877896
Energy: 1.2054180503738186
Energy: 1.2234898158387923
Energy: 1.2294998988820136
Energy: 1.2287521459745094
Energy: 1.292869695944583
Energy: 1.225871343111771
Energy: 1.2157650528275785
Energy: 1.2610774617589269
Energy: 1.2265036047712803
Energy: 1.223060999400882
Energy: 1.2749443366687059
Energy: 1.2256461269853305
Energy: 1.2261724201434065
Energy: 1.2382540775048414
Energy: 1.22688927119402
Energy: 1.2230634494054193
Energy: 1.2305051608815625
Energy: 1.2198075441438119
Energy: 1.2054076863064656
Energy: 1.2334192490046958
Energy: 1.2232437646688696
Energy: 1.2295217650849013
Energy: 1.2301634405926327
Energy: 1.2044773371786885
Energy: 1.2173357120454908
Energy: 1.2324209906269588
Energy: 1.205123873810286
Energy: 1.2052520081554285
Energy: 1.2725641843716948
Energy: 1.2581678203137938
Energy: 1.2572901782424513
Energy: 1.274283250068514
Energy: 1.2597556534413847
Energy: 1.242905866598964
Energy: 1.2835147846948571
Energy: 1.2194683713593222
Energy: 1.2299406930849541
Energy: 1.2708047956718047
Energy: 1.220682925256781
Energy: 1.2297216435178742
Energy: 1.298132160218272
Energy: 1.2055339747049658
Energy: 1.2061330961801464
Energy: 1.2499531411029987
Energy: 1.2129600820036281
Energy: 1.2173499772713705
Energy: 1.2834740067350903
Energy: 1.239736268220446
Energy: 1.2411195135079789
Energy: 1.2461426951232848
Energy: 1.247862127920981
Energy: 1.2473468911661196
Energy: 1.284752036933154
Energy: 1.2501954319038586
Energy: 1.249019631720044
Energy: 1.2624912410046207
Energy: 1.248418616273625
Energy: 1.2484601604741705
Energy: 1.282384103433806
Energy: 1.2504231388694078
Energy: 1.249127797218711
Energy: 1.2512945070894446
Energy: 1.2472540925897058
Energy: 1.2482851983637857
Energy: 1.3074639817116633
Energy: 1.3099841608573488
Energy: 1.3112582551959815
Energy: 1.2170172477660495
Energy: 1.3082850643940667
Energy: 1.2498899985156608

minimum gb energy = 1.2044773371786885 eV
minimum distance =  2.25084385037385 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.7976364007566974
Energy: 1.2215026710423746
Energy: 1.222308518790311
Energy: 1.1737862650991657
Energy: 1.2102351181487854
Energy: 1.1744497221398444
Energy: 1.3330360528995817
Energy: 1.2063735075748236
Energy: 1.201198100283881
Energy: 1.1981021479699951
Energy: 1.202241644296286
Energy: 1.1996265020596764
Energy: 1.264649163087884
Energy: 1.2005774077027707
Energy: 1.2028371531527362
Energy: 1.205559591517985
Energy: 1.1984667913480909
Energy: 1.2084249458275624
Energy: 1.2515902824585257
Energy: 1.1997371474427703
Energy: 1.1999701891538943
Energy: 1.2028535669865517
Energy: 1.1917687655990226
Energy: 1.1999458660427864
Energy: 1.2172991843341021
Energy: 1.2086759284618689
Energy: 1.2090782577306132
Energy: 1.21916648107822
Energy: 1.206005143551728
Energy: 1.217191089117203
Energy: 1.2281420088282056
Energy: 1.2130272302885607
Energy: 1.2133670610911569
Energy: 1.1950722360007828
Energy: 1.2190711089834372
Energy: 1.2144223998725354
Energy: 1.262627659768725
Energy: 1.1941669616246144
Energy: 1.1970561499239112
Energy: 1.247301836155516
Energy: 1.1896877863467372
Energy: 1.206624625118068
Energy: 1.2827211153530254
Energy: 1.1986095739231406
Energy: 1.203453193311851
Energy: 1.2326679165882406
Energy: 1.1937598528372089
Energy: 1.2021478194941542
Energy: 1.1956306416342029
Energy: 1.2041020727434115
Energy: 1.2077164286529756
Energy: 1.1957941649652575
Energy: 1.2016075916979931
Energy: 1.2025852870948304
Energy: 1.1954904137041524
Energy: 1.2022364849825053
Energy: 1.2039111074524385
Energy: 1.1957089959086522
Energy: 1.2393639976246766
Energy: 1.203066984702298
Energy: 1.2585489393985216
Energy: 1.1767532160206207
Energy: 1.1934104688483638
Energy: 1.2505337834040802
Energy: 1.1686270423333711
Energy: 1.192663709221952
Energy: 1.2652584867190055
Energy: 1.1976820590217538
Energy: 1.2013630397661184
Energy: 1.2048421538564134
Energy: 1.1957218480010572
Energy: 1.20443081735993
Energy: 1.2243733356740176
Energy: 1.2033116413097522
Energy: 1.203649021305259
Energy: 1.1886841399311376
Energy: 1.2023798880381527
Energy: 1.2075637982854466
Energy: 1.2482155605320542
Energy: 1.2121550532110006
Energy: 1.206752815147758
Energy: 1.1899087050452082
Energy: 1.2066390970289798
Energy: 1.2046666850198677
Energy: 1.2623482607037377
Energy: 1.1978575204453035
Energy: 1.2020226135766807
Energy: 1.2039479776254258
Energy: 1.1949082810580895
Energy: 1.206285903479882
Energy: 1.2632917029058799
Energy: 1.2108597048597227
Energy: 1.2075001345604544
Energy: 1.2050161739728606
Energy: 1.2038910949855983
Energy: 1.2203179396414845
Energy: 1.2240512605976233
Energy: 1.2056114548925032
Energy: 1.2183051433752536
Energy: 1.1570168971509203
Energy: 1.2372131343976485
Energy: 1.17836364358831
Energy: 1.3369406572326386
Energy: 1.2042962224949088
Energy: 1.208273056778572
Energy: 1.2149581928441848
Energy: 1.202757259844829
Energy: 1.2220343622661307
Energy: 1.2625097668016143
Energy: 1.1984195188764548
Energy: 1.205138662913449
Energy: 1.2034994883773582
Energy: 1.1940091796178551
Energy: 1.2092838071717664
Energy: 1.2480100398529248
Energy: 1.1980053416853376
Energy: 1.1992928064026065
Energy: 1.2024045217606738
Energy: 1.1944474136295158
Energy: 1.2012191174547395
Energy: 1.2211956251702887
Energy: 1.2038220365183816
Energy: 1.2059918815960402
Energy: 1.2223018804463743
Energy: 1.2050716772593644
Energy: 1.2160347560185814
Energy: 1.2484398135509351
Energy: 1.2012945583776662
Energy: 1.2009545916488678
Energy: 1.2173246009150136
Energy: 1.2037812182778616
Energy: 1.200918289706009
Energy: 1.2387990112143135
Energy: 1.1899317341271025
Energy: 1.1920598936372826
Energy: 1.2259726483532492
Energy: 1.1891391451827171
Energy: 1.1943406654925381
Energy: 1.241428825605102
Energy: 1.1954459057538274
Energy: 1.1928611147653188
Energy: 1.2038843821840697
Energy: 1.1937265461305036
Energy: 1.2276595821747396
Energy: 1.208936621833865
Energy: 1.2079607787556084
Energy: 1.2016209637248847
Energy: 1.203931448929902
Energy: 1.2028827704671359
Energy: 1.199785932748177
Energy: 1.1960596531507341
Energy: 1.2066786096404245
Energy: 1.2057686342130618
Energy: 1.1969971887954916
Energy: 1.2120141826651798
Energy: 1.2028903977103882
Energy: 1.2070112326511584
Energy: 1.17484539972128
Energy: 1.180208864029571
Energy: 1.1802795739175
Energy: 1.1633237601875703
Energy: 1.183016798377322
Energy: 1.2647852407982254
Energy: 1.1659878187755637
Energy: 1.1747838144465301
Energy: 1.2069482430676461
Energy: 1.168954653887136
Energy: 1.206340546114075
Energy: 1.2232352543238514
Energy: 1.2055462167264372
Energy: 1.2100833586454838
Energy: 1.188638067824474
Energy: 1.2093988842368868
Energy: 1.2065928987459946
Energy: 1.2267682470837231
Energy: 1.189073138128302
Energy: 1.2287401084195497
Energy: 1.189721790304312
Energy: 1.1839565115472517
Energy: 1.202236785641412
Energy: 1.2644485285755318
Energy: 1.1963140554735783
Energy: 1.202170184792429
Energy: 1.2046684828942806
Energy: 1.1954282607641034
Energy: 1.2045965794569153
Energy: 1.2626991313041982
Energy: 1.2015599775046473
Energy: 1.200317804077586
Energy: 1.2034689866117059
Energy: 1.2031115719226269
Energy: 1.201707258838848
Energy: 1.225881420492598
Energy: 1.1942370308303472
Energy: 1.21016619144848
Energy: 1.1584034788895574
Energy: 1.193942707994537
Energy: 1.1753417787044385

minimum gb energy = 1.1570168971509203 eV
minimum distance =  2.26266184686453 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.020389830834446517
Energy: 0.02134502760862165
Energy: 0.021159052765655044
Energy: 0.02294943924470734
Energy: 1.0986032172647007
Energy: 0.020909341993887588
Energy: 0.02095901677820312
Energy: 0.17727807884112912
Energy: 0.17462765960247212
Energy: 0.1737342635215939
Energy: 0.17762122111451809
Energy: 0.17431682344227872
Energy: 1.5266780346062259
Energy: 1.0997261233203712
Energy: 1.0962391359023136
Energy: 1.0938657428497498
Energy: 1.0971417021461238
Energy: 1.0968618726319104
Energy: 0.600151933022677
Energy: 0.17727807884112912
Energy: 0.17462765960293883
Energy: 0.1737342635211272
Energy: 0.17762122111498482
Energy: 0.17431682344227872

minimum gb energy = 0.020389830834446517 eV
minimum distance =  2.4602700467007 Angstroms
sigma value = 1