Model name: model_name=EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.498696342110634
cohesive_energy=4.116955210479424
mass=55.845
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=[2.49596689104324e-19, 3.75287446041624e-19, 4.40725146304086e-19, 4.910206751986139e-19, 5.25843984338604e-19, 5.48620527367548e-19, 5.63839603213914e-19, 5.746206497840999e-19, 5.828382137398859e-19, 5.89687518850236e-19, 5.959696534321499e-19, 6.023799621447839e-19, 6.09703511538798e-19, 6.1834405012596e-19, 6.27513307002342e-19, 6.35953573510254e-19, 6.429230418681539e-19, 6.4829674229859e-19, 6.52292570823786e-19, 6.5518289747152205e-19, 6.5720164003036205e-19, 6.58529844459948e-19, 6.59298889244268e-19, 6.595568396823419e-19, 6.59262039181686e-19, 6.5826228096207e-19, 6.56330055941466e-19, 6.532186289182379e-19, 6.4854988620676195e-19, 6.41376941416344e-19, 6.3044849459583e-19, 6.14612580745374e-19, 5.9265314779977e-19, 5.6267642297763e-19, 5.23043379582372e-19, 4.728664117587599e-19, 4.1052251457655196e-19, 3.3386156699292e-19, 2.47755788151858e-19, 1.5313972768397818e-19, 4.441249651214339e-20, -8.181771329782439e-20, -2.3021355618619195e-19, -4.0763379010544994e-19, -6.22875005646912e-19, -9.01126623850326e-19, -1.2910868035061219e-18, -1.8547117150510798e-18, -2.6922495504745797e-18, -3.9788134093429195e-18, -5.95155747702078e-18, -9.1170259181136e-18, -1.504338115668156e-17, -2.3234124675614397e-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: 0.01695222855924045
Energy: 0.6579746997080088
Energy: 0.017314881945447134
Energy: 0.017186808621807843
Energy: 0.6451532158578052
Energy: 0.01734568864078568
Energy: 0.657974699706372
Energy: 0.13193707939661642
Energy: 0.13182874438040795
Energy: 0.13413239326406357
Energy: 0.13311772146680081
Energy: 0.13195085036997925
Energy: 0.017314881945447134
Energy: 0.13182874438040795
Energy: 0.13275100434600384
Energy: 0.017178071221584882
Energy: 0.13253300373747495
Energy: 0.13408571728405264
Energy: 0.017186808621807843
Energy: 0.13413239326406357
Energy: 0.01717807122091527
Energy: 0.017371822701243538
Energy: 0.1332608181757094
Energy: 0.01735103004245445
Energy: 0.6451532166097393
Energy: 0.13311772146680081
Energy: 0.13253300373747495
Energy: 0.1332608181753746
Energy: 0.13190076002522025
Energy: 0.1322441905416653
Energy: 0.01734568864078568
Energy: 0.13195085037027682
Energy: 0.13408571728468505
Energy: 0.01735103004245445
Energy: 0.1322441905410329
Energy: 0.017105147471442764

minimum gb energy = 0.01695222855924045 eV
minimum distance =  2.47200653571357 Angstroms
sigma value = 1


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

Energy: 1.6111830762220614
Energy: 1.0176298414581237
Energy: 1.0380747170225808
Energy: 1.1693767520829808
Energy: 1.012104397883789
Energy: 1.0347970005302043
Energy: 1.4135303346844328
Energy: 0.9508460030206038
Energy: 0.9469421691213952
Energy: 1.0369007470876423
Energy: 0.9569758278521683
Energy: 0.947549421916671
Energy: 1.4300590217910016
Energy: 0.9542883634719993
Energy: 0.9544636269940461
Energy: 1.0475896762986803
Energy: 0.9665898057564511
Energy: 0.9534317991519721
Energy: 1.5162309751364336
Energy: 1.172590741165296
Energy: 1.1866322430135021
Energy: 1.066064632476033
Energy: 1.1442560661796508
Energy: 1.0973480618921208
Energy: 1.412985486534508
Energy: 0.9751349996575097
Energy: 0.976803283386068
Energy: 1.0193681850123577
Energy: 0.9500977725836496
Energy: 0.9753476325606539
Energy: 1.4336401197549455
Energy: 1.0071673078244323
Energy: 1.0072540358964028
Energy: 1.0120194571663583
Energy: 0.9886801868191613
Energy: 1.01434004980769
Energy: 1.4096206592746434
Energy: 1.1261030300247619
Energy: 0.9972901557186135
Energy: 1.0222830675353975
Energy: 1.1394186800713328
Energy: 0.9840921904592528
Energy: 1.3050938429014485
Energy: 1.0315154179197588
Energy: 1.0987766726825727
Energy: 1.1375073788558512
Energy: 1.0154354607501879
Energy: 1.054842343585141
Energy: 1.1747177596077842
Energy: 0.9918276710877109
Energy: 0.9904496879208146
Energy: 1.0091223834308152
Energy: 1.0185922818271138
Energy: 0.9956650900318925
Energy: 1.1862768404113277
Energy: 1.0013801212143034
Energy: 1.0021579105750502
Energy: 0.9534873748981989
Energy: 1.0022031492102894
Energy: 1.001222760119483
Energy: 1.404518612173637
Energy: 1.0995095559201697
Energy: 1.1545262187702836
Energy: 1.1474680293210193
Energy: 1.1658192566302605
Energy: 1.236499479083104
Energy: 0.972755152802722
Energy: 1.028265178457322
Energy: 0.951835346983808
Energy: 0.9580056157545369
Energy: 1.0174408585906214
Energy: 0.9508756488528968
Energy: 0.9681456493188918
Energy: 0.9966219112693738
Energy: 0.9401781354100156
Energy: 0.94777259635407
Energy: 1.0346821988013142
Energy: 0.9445814272397101
Energy: 1.1358605883263075
Energy: 1.09225327646947
Energy: 1.0887619465357645
Energy: 1.0010223553675566
Energy: 1.1004922723785926
Energy: 1.1371419102543208
Energy: 1.039593048630376
Energy: 0.9941834317166229
Energy: 0.968580065595993
Energy: 0.9528653161392168
Energy: 1.037240957867007
Energy: 0.9712527877426694
Energy: 1.0431363189701273
Energy: 0.9957541636383612
Energy: 0.9771305501300781
Energy: 0.988404655946054
Energy: 1.0368827960740206
Energy: 0.9802172001434735
Energy: 1.3252463006122956
Energy: 1.009537928408797
Energy: 1.124800303488474
Energy: 1.236282427515138
Energy: 1.0077654289460032
Energy: 1.0589900915783765
Energy: 1.313679779938079
Energy: 1.0711525825663002
Energy: 1.0120805383467306
Energy: 0.9732298921716125
Energy: 1.0623163377641955
Energy: 0.9778234952848947
Energy: 1.299784381835684
Energy: 1.0381857030498132
Energy: 1.0470784708691483
Energy: 1.0328399926404077
Energy: 1.0055224938822078
Energy: 1.0653121592710335
Energy: 1.352766686084627
Energy: 0.9660522497306241
Energy: 0.9902575841763305
Energy: 1.0486007744591666
Energy: 0.9672880921470182
Energy: 0.9900411111433394
Energy: 1.4785602283412667
Energy: 1.2365449515394427
Energy: 1.1756071044048397
Energy: 1.1211630416119742
Energy: 1.24127344962376
Energy: 1.1722805678226285
Energy: 1.4126118130681462
Energy: 0.9924288464784906
Energy: 0.9911891715028766
Energy: 1.0113661776955696
Energy: 0.9961490701585692
Energy: 0.9786592915072303
Energy: 1.4574641191473008
Energy: 0.9500455852184642
Energy: 0.9478251196257163
Energy: 1.0375190388227966
Energy: 0.9516307769401912
Energy: 0.9404718490445156

minimum gb energy = 0.9401781354100156 eV
minimum distance =  2.29192456429501 Angstroms
sigma value = 33


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

Energy: 2.0732132918808017
Energy: 1.6316867006062112
Energy: 1.1033241500728668
Energy: 1.3309437324534834
Energy: 1.6393789487045962
Energy: 1.0879690305421092
Energy: 1.3618418569723627
Energy: 1.0173252824924308
Energy: 1.0002175366038877
Energy: 1.0787135963040675
Energy: 1.0190228565964414
Energy: 0.9901758881546717
Energy: 1.4598084938035616
Energy: 0.9931926739247074
Energy: 0.9934891476810129
Energy: 1.0414780421926126
Energy: 1.0016078673856321
Energy: 0.9905849401809148
Energy: 1.385657152691142
Energy: 1.2498208409541591
Energy: 1.1604704580520175
Energy: 1.2008164460808215
Energy: 1.2896691432046696
Energy: 1.0927896052905497
Energy: 1.3424477649917728
Energy: 1.0030121905444
Energy: 1.0157767651396201
Energy: 1.0591373108637532
Energy: 1.011581151748409
Energy: 1.0165948512801697
Energy: 1.469163611953823
Energy: 1.0419725152968218
Energy: 1.0489440570442643
Energy: 1.02599270186003
Energy: 1.0309904556895177
Energy: 1.0306319531571875
Energy: 1.17758698468974
Energy: 1.1862459192884258
Energy: 1.0138929276743176
Energy: 1.0297565830980346
Energy: 1.2060462744064417
Energy: 1.0121834462932136
Energy: 1.3804666893134026
Energy: 1.063546331211355
Energy: 1.0937436348461136
Energy: 1.1733861272915371
Energy: 1.0622662307334017
Energy: 1.1086581484528257
Energy: 1.188143559119962
Energy: 1.0504709051340952
Energy: 1.037954045320225
Energy: 1.0271121511021437
Energy: 1.0445600479599144
Energy: 1.0456721537634985
Energy: 1.2017728536845846
Energy: 0.9908041320943453
Energy: 0.9790743507908177
Energy: 0.9866902803047966
Energy: 1.062228994688979
Energy: 0.9789203301051725
Energy: 1.3418699672258916
Energy: 1.2278754063127646
Energy: 1.1506426630493647
Energy: 1.1848647698996155
Energy: 1.2127131981545287
Energy: 1.1385048153803812
Energy: 1.0582265420998236
Energy: 0.9845321901750146
Energy: 0.9797292214133556
Energy: 1.0143059775824514
Energy: 1.0515071329103052
Energy: 0.988284359843903
Energy: 1.0354429926796676
Energy: 1.0383328049806608
Energy: 0.9917915637248164
Energy: 1.007419899128056
Energy: 1.0677910035113805
Energy: 0.9915402234692209
Energy: 1.1141754927186822
Energy: 1.0896004156069758
Energy: 1.0896642242781978
Energy: 1.0718116273768072
Energy: 1.092137339231767
Energy: 1.0931094302441735
Energy: 1.146924113493043
Energy: 1.0200616832703906
Energy: 1.0292742237193406
Energy: 1.03532186155573
Energy: 1.0597675310032737
Energy: 1.0345880139100336
Energy: 1.1636437256076453
Energy: 1.0283266345796631
Energy: 1.0316762236388026
Energy: 1.0953007358772975
Energy: 1.0285212231733578
Energy: 1.034731903478097
Energy: 1.3517703939681678
Energy: 1.064106382118285
Energy: 1.030572069901488
Energy: 1.2170373482077288
Energy: 1.0654918010828596
Energy: 1.1859265189666546
Energy: 1.3823255632586133
Energy: 1.10649885134223
Energy: 1.087442861424825
Energy: 1.0369631113913569
Energy: 1.0999092703156075
Energy: 1.0567025743457747
Energy: 1.3901728716425206
Energy: 1.017152379417362
Energy: 1.0432508505510694
Energy: 1.0521157365634697
Energy: 1.0172499744310401
Energy: 1.0465198702356893
Energy: 1.2770500515446936
Energy: 0.9634683406489437
Energy: 0.9570027072983491
Energy: 1.0442987133414976
Energy: 0.9608628136311557
Energy: 0.9557140673178153
Energy: 1.7061724463499441
Energy: 1.2133096840386552
Energy: 1.198465784767706
Energy: 1.249539740493736
Energy: 1.2122696956572656
Energy: 1.1947146408487006
Energy: 1.0869204196879036
Energy: 0.9938175649221344
Energy: 0.9705707998260659
Energy: 1.071408205340362
Energy: 0.9942743122550967
Energy: 0.9605594513753436
Energy: 1.2768378229848296
Energy: 0.9830858478150749
Energy: 0.9833308734368985
Energy: 1.0534819302438183
Energy: 1.0014626115532828
Energy: 0.9840613631171784
Energy: 1.6203792900402894
Energy: 1.0334641013300538
Energy: 1.0500150053854194
Energy: 1.1923506569102607
Energy: 1.0705730397850892
Energy: 1.1568304603498798
Energy: 1.2860129628127572
Energy: 1.0188905126008065
Energy: 1.012863266691323
Energy: 1.0226092508492615
Energy: 1.0216745550877806
Energy: 1.0128173493993524
Energy: 1.2506486290580094
Energy: 1.068855411145941
Energy: 1.0596694163653297
Energy: 1.0887467004226865
Energy: 1.069898763055331
Energy: 1.0490775518495798
Energy: 1.5293227544030212
Energy: 1.1833677976594568
Energy: 1.1965182867544393
Energy: 1.0415136209988591
Energy: 1.1905243872548892
Energy: 1.2032630596488185
Energy: 1.349048457335862
Energy: 1.0019236801322586
Energy: 1.0176050975258997
Energy: 1.0943067435773621
Energy: 1.0182128164484563
Energy: 1.0281375163517428
Energy: 1.2210752417599153
Energy: 1.0636557703903693
Energy: 1.0650623924216285
Energy: 1.0656015979536866
Energy: 1.0695359573224021
Energy: 1.0727598205184055
Energy: 1.1963207298968166
Energy: 1.0444313477090155
Energy: 1.024945791521908
Energy: 0.9767272353255056
Energy: 1.050883983968692
Energy: 0.9831209815284417
Energy: 1.1902386298979455
Energy: 0.9690021482798372
Energy: 1.160141963319024
Energy: 1.1822633996876368
Energy: 0.9670943596415243
Energy: 1.1374845235151423
Energy: 1.0561031415066249
Energy: 0.9940319066424699
Energy: 0.9648937220914742
Energy: 1.0083723512812095
Energy: 1.023105869636278
Energy: 0.9775481335561852
Energy: 1.03105093542401
Energy: 1.0139642959080248
Energy: 0.9898517106638414
Energy: 1.003264953240332
Energy: 1.0647058860203016
Energy: 0.9885110572628776
Energy: 1.103986311157739
Energy: 1.0902811489785542
Energy: 1.157541265964085
Energy: 1.032914239103672
Energy: 1.1564681682153133
Energy: 1.1697833220109048
Energy: 1.1513036469589766
Energy: 1.0336220543633028
Energy: 1.0139084674159138
Energy: 1.0072878916417243
Energy: 1.054220633856809
Energy: 1.0073884684160623
Energy: 1.163920202619564
Energy: 1.0342654089017096
Energy: 1.0498832360418455
Energy: 1.065532377321867
Energy: 1.0326786102642533
Energy: 1.052065590483102
Energy: 1.2609677107378485
Energy: 1.1851159076607578
Energy: 1.1755753771634645
Energy: 1.1891048431645486
Energy: 1.18606869021909
Energy: 1.1763060455287937
Energy: 1.4026731568856334
Energy: 1.0802594711776865
Energy: 1.0439836372728162
Energy: 1.0160817248168454
Energy: 1.0768301267474853
Energy: 1.044307339746904
Energy: 1.3729894518219221
Energy: 1.0603861261223666
Energy: 1.0602263003202417
Energy: 1.0453681005425144
Energy: 1.0613265447821214
Energy: 1.0734158500040405
Energy: 1.4089920132176073
Energy: 0.9927214870458223
Energy: 0.9932273346360506
Energy: 1.0674190541085082
Energy: 0.9922588857349685
Energy: 1.05482852187756
Energy: 1.3658489232646858
Energy: 1.1597659751995533
Energy: 1.1377313861609393
Energy: 0.9862789154788066
Energy: 1.1728555672231185
Energy: 0.9851872517701944

minimum gb energy = 0.9557140673178153 eV
minimum distance =  2.30057540452298 Angstroms
sigma value = 51


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

Energy: 1.68279675615463
Energy: 1.0649326512391566
Energy: 1.111858640782433
Energy: 1.1377127346313012
Energy: 1.0635883459487419
Energy: 1.113524309487246
Energy: 1.309288163663898
Energy: 0.9917817605038316
Energy: 0.9988737848037814
Energy: 1.131690957581921
Energy: 1.0133696328412196
Energy: 0.999504306606729
Energy: 1.3603419419191296
Energy: 1.00762943646054
Energy: 1.00878080976095
Energy: 1.111390970336576
Energy: 1.010663994380525
Energy: 1.0157239652457404
Energy: 1.4959831374247416
Energy: 1.170741025509796
Energy: 1.1083805842429921
Energy: 1.124173644671772
Energy: 1.1508704445323084
Energy: 1.0658109504436108
Energy: 1.3221889133221891
Energy: 1.0062508952490117
Energy: 1.0075367550240695
Energy: 1.0945984252761414
Energy: 1.01267197729261
Energy: 1.0307405525940663
Energy: 1.291325175288691
Energy: 1.0556021310229986
Energy: 1.0805647106162855
Energy: 1.0894231067628755
Energy: 1.0559212196051655
Energy: 1.0753888737607917
Energy: 1.3002634779731916
Energy: 1.0595597851611172
Energy: 1.0470301770695216
Energy: 1.0248602833000737
Energy: 1.0355173772540218
Energy: 1.0218671819574914
Energy: 1.30362173365268
Energy: 1.06992903013631
Energy: 1.0690120552797313
Energy: 1.1638841736885337
Energy: 1.0186254914406838
Energy: 1.0702179335906021
Energy: 1.0266738681173282
Energy: 1.054784603533582
Energy: 1.0397037490877472
Energy: 0.9990894977590147
Energy: 1.1663519700606653
Energy: 1.0006061913294355
Energy: 0.9981423209486001
Energy: 1.0762343130261454
Energy: 0.9995712321373271
Energy: 0.9915043689104299
Energy: 1.0960618115659715
Energy: 1.0006895647048626
Energy: 1.1221296356021684
Energy: 1.1178808740042478
Energy: 1.0123454111993346
Energy: 1.1165747544470241
Energy: 1.0763454941433597
Energy: 1.0326151615140835
Energy: 1.1039104359746703
Energy: 1.076871003675647
Energy: 1.0006486337164704
Energy: 0.9923392770085304
Energy: 1.0819125461497272
Energy: 0.9991005201266373
Energy: 1.1007852628731063
Energy: 1.112256637012355
Energy: 1.0477866593947096
Energy: 1.0337890309468745
Energy: 1.1000562832656464
Energy: 1.0440971885988908
Energy: 1.1767362824701066
Energy: 1.1429541394011615
Energy: 1.1334376849908259
Energy: 1.1078415067959673
Energy: 1.1443250869335388
Energy: 1.1323736304552912
Energy: 1.0744349820942822
Energy: 1.0855020210323294
Energy: 1.066205436550749
Energy: 1.0215962826858866
Energy: 1.0742647064605304
Energy: 1.0655058506902029
Energy: 1.3636503600227603
Energy: 1.0557585619908156
Energy: 1.058490249123571
Energy: 1.0623758471817109
Energy: 1.0737579302806282
Energy: 1.0723532262497109
Energy: 1.324428433899757
Energy: 1.0107057505546477
Energy: 1.0017564462161013
Energy: 1.1017977658831217
Energy: 1.0143658312035295
Energy: 1.0141735339910607
Energy: 1.619416713730559
Energy: 1.0042998873575117
Energy: 0.9921204178416697
Energy: 1.0979386865404042
Energy: 1.0042109007667823
Energy: 1.0356081051871224

minimum gb energy = 0.9915043689104299 eV
minimum distance =  2.29163137271714 Angstroms
sigma value = 19


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

Energy: 1.4424561818345107
Energy: 1.5174428907951634
Energy: 1.0071450828175776
Energy: 1.0073710971534562
Energy: 1.5155321079319033
Energy: 1.0070669485093762
Energy: 1.2129220733279313
Energy: 0.9974790697755955
Energy: 0.9974230854653043
Energy: 1.2218382186302401
Energy: 1.0049531098934956
Energy: 1.001911983142783
Energy: 1.1822953253390232
Energy: 1.0095447326644478
Energy: 1.015627986533716
Energy: 1.0177845778094725
Energy: 0.9973737792364987
Energy: 1.010016410951895
Energy: 1.186544729275575
Energy: 1.0573746008401155
Energy: 1.023480093277966
Energy: 1.0641554230383674
Energy: 1.0573349534358376
Energy: 1.0263757630600727
Energy: 1.2727608640049926
Energy: 1.0084776729098712
Energy: 1.0089979977756867
Energy: 1.009710878883661
Energy: 0.9968726640298856
Energy: 1.0778973391055755
Energy: 1.2047740744095328
Energy: 0.9837916432516257
Energy: 1.0165120879974496
Energy: 1.0782241943332793
Energy: 0.9834196476736978
Energy: 1.0389126536531337
Energy: 1.209774582941073
Energy: 1.0561251704162442
Energy: 1.0822613884799552
Energy: 1.0175306476490824
Energy: 1.0094598001310044
Energy: 1.0173015173027327
Energy: 1.0823408652752133
Energy: 1.1045937526619776
Energy: 1.1034499171526868
Energy: 1.073759986241207
Energy: 1.129093739203627
Energy: 1.054197728772722
Energy: 1.0038490533480249
Energy: 1.0168268479744451
Energy: 1.0687281982970567
Energy: 1.004884587460679
Energy: 1.0827404389070487
Energy: 0.9930852961455656
Energy: 1.0124431510817193
Energy: 1.0636163149696802
Energy: 1.0090735184843929
Energy: 1.0082469671410932
Energy: 1.114794958039541
Energy: 1.0088460481003096
Energy: 0.9981687473519021
Energy: 1.068178474060874
Energy: 1.0260649467231702
Energy: 0.9909634592461192
Energy: 1.0276525146987117
Energy: 0.9915752498541077
Energy: 1.0691402209624246
Energy: 1.0430493495931619
Energy: 1.0406924282010808
Energy: 1.0093740402792795
Energy: 1.194595935312267
Energy: 1.01010130909116
Energy: 0.9666990491985404
Energy: 1.00807100553232
Energy: 1.0403480491415265
Energy: 0.9660767385271053
Energy: 1.180694685409408
Energy: 1.03124790317224
Energy: 1.0696041318267284
Energy: 1.0772653339143994
Energy: 1.074290057111889
Energy: 1.009170221013873
Energy: 1.0751550867739486
Energy: 1.0439733284134594
Energy: 1.2110720190837416
Energy: 1.012727887395609
Energy: 1.0126025041154825
Energy: 1.1769173167874387
Energy: 1.0710072837988411
Energy: 0.9938255635431369
Energy: 1.3963032648673366
Energy: 1.0333378449049089
Energy: 1.0092339319093806
Energy: 1.129456698970209
Energy: 1.0336893001579197
Energy: 1.0539767734125463
Energy: 1.213490295448205
Energy: 0.9967715474563942
Energy: 0.9967819374395415
Energy: 1.0323585120653307
Energy: 0.9961649079604478
Energy: 1.009547021366689
Energy: 1.2021580875639115
Energy: 1.0240962606346329
Energy: 1.024044383222042
Energy: 1.0758783399925345
Energy: 1.0233010086932368
Energy: 1.0567951077663287
Energy: 1.1828698340705563
Energy: 1.0154738267392731
Energy: 1.0090619887449992
Energy: 1.064876778555779
Energy: 1.0570085322048657
Energy: 1.0449035654610803
Energy: 1.2130775160542357
Energy: 0.9647673394048999
Energy: 1.0023372281126897
Energy: 1.183823832808702
Energy: 0.9638596754253983
Energy: 1.0655279785772174
Energy: 1.1868421719624245
Energy: 1.0077982939398542
Energy: 1.0166870980439997
Energy: 1.0664653755231353
Energy: 1.0078920817147836
Energy: 1.0406370686439252
Energy: 1.0893984065822822
Energy: 1.0757970924485274
Energy: 1.0431430888408222
Energy: 1.0134474491480778
Energy: 1.05456970423352
Energy: 1.0792592937426417
Energy: 1.0818058778808728
Energy: 1.0005318887807237
Energy: 1.00774785242615
Energy: 1.0747072367889163
Energy: 1.0003271512981007
Energy: 1.0072238978540589
Energy: 1.0043886069262804
Energy: 1.0248941948240466
Energy: 1.0034456234830105
Energy: 1.0047022134229322
Energy: 1.011703185195247
Energy: 0.9975025031537648
Energy: 0.9988103482216777
Energy: 1.0436153627826894
Energy: 1.015499312706095
Energy: 0.9971652187527008
Energy: 1.0923393201886726
Energy: 1.0153791974278912
Energy: 1.088396204585753
Energy: 1.0643728578716718
Energy: 1.0367515702318355
Energy: 1.0574857051121476
Energy: 1.0646687180005607
Energy: 1.0261647563423606
Energy: 1.0692955376538318
Energy: 1.0412667134036577
Energy: 1.0412469686043402
Energy: 1.008621675786235
Energy: 1.1141982064986427
Energy: 1.0773988801143968
Energy: 0.9851750442643505
Energy: 1.0788849629547397
Energy: 1.0774675653661305
Energy: 0.9849256093949871
Energy: 1.0779645216357356
Energy: 1.0777132290891187
Energy: 1.081412661986548
Energy: 1.0174905836816601
Energy: 1.017304493043812
Energy: 1.0093412781634572
Energy: 1.0172990497970458
Energy: 1.0753324582796662
Energy: 1.3978522300534586
Energy: 1.0739714473350674
Energy: 1.0541711207760252
Energy: 1.1183645213832563
Energy: 1.0736627001381576
Energy: 1.0541379939291489

minimum gb energy = 0.9638596754253983 eV
minimum distance =  2.28160647293089 Angstroms
sigma value = 27


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

Energy: 1.2232457280531448
Energy: 0.9715756892230056
Energy: 0.9787811212426607
Energy: 1.0112871995111405
Energy: 0.9677791888908204
Energy: 1.441391216157428
Energy: 1.1267246163261753
Energy: 0.959881669420071
Energy: 0.9746702550839356
Energy: 1.126619017017002
Energy: 0.9660678164893849
Energy: 0.99151864338274
Energy: 1.0874896340542763
Energy: 0.9655980794931571
Energy: 0.9674493283931686
Energy: 0.9697556245638003
Energy: 1.0264336382024601
Energy: 0.9995396402775454
Energy: 1.5248808807064385
Energy: 1.1942046067877428
Energy: 1.0161903117035902
Energy: 0.9628703190721453
Energy: 1.2076799434431464
Energy: 1.0420915327400595
Energy: 1.2435957437010328
Energy: 0.9911517295420086
Energy: 0.9664214967047191
Energy: 1.0106452365862713
Energy: 0.9766908510137924
Energy: 1.027158274897541
Energy: 1.0665835163289605
Energy: 1.0177525273431507
Energy: 1.0203658937757036
Energy: 1.0553139475668611
Energy: 1.0175816003624558
Energy: 0.9530335703614305
Energy: 1.0082788000515397
Energy: 0.9760110923235128
Energy: 0.9341578650652349
Energy: 0.9802794478088237
Energy: 1.126188284183118
Energy: 0.9822505047807836
Energy: 1.0778413449224256
Energy: 0.9971273421185837
Energy: 1.0391226334583636
Energy: 1.0709428155354965
Energy: 0.9926234939519472
Energy: 1.011288420747487
Energy: 1.1858006408235933
Energy: 0.9579424246994862
Energy: 0.9703915832310323
Energy: 0.964197731928144
Energy: 0.9571354223270144
Energy: 0.9678755253469596
Energy: 1.0759887563723376
Energy: 0.9837769148356273
Energy: 0.9936475847872026
Energy: 0.954387017734219
Energy: 0.9849749832242912
Energy: 0.9548651965090326
Energy: 1.0863757123915851
Energy: 0.9764482649992452
Energy: 0.9798337653521949
Energy: 0.9580642272806259
Energy: 0.980292587718186
Energy: 0.9573813831431598
Energy: 1.0326675126714493
Energy: 0.9593773501459019
Energy: 0.9615947232383283
Energy: 1.018291505145265
Energy: 0.9593986568184673
Energy: 0.9672926953643746

minimum gb energy = 0.9341578650652349 eV
minimum distance =  2.30124389781557 Angstroms
sigma value = 9


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

Energy: 2.1072326833808463
Energy: 0.9652352811431535
Energy: 1.6461859677672304
Energy: 0.8609778180517438
Energy: 0.9252634817645129
Energy: 1.6651077176475833
Energy: 0.9063258737711283
Energy: 0.8748986070402878
Energy: 0.8815330858572161
Energy: 0.8872400668434899
Energy: 0.8750177930649222
Energy: 0.8737137571964184
Energy: 0.9396104243565406
Energy: 0.9021960689785479
Energy: 0.9053653792327586
Energy: 0.8635532842741115
Energy: 0.9028187399904782
Energy: 0.9582307095948701
Energy: 1.244385245621092
Energy: 0.9272863134873454
Energy: 0.9063230717054115
Energy: 0.9429980354030875
Energy: 0.9612094447378582
Energy: 0.9354084848809862
Energy: 0.9002875573804431
Energy: 0.9292173943555497
Energy: 0.9347148633990361
Energy: 0.9218815076140494
Energy: 0.9525934047301091
Energy: 0.9743481812989493
Energy: 0.9563630361611657
Energy: 0.9866235670919358
Energy: 1.017951797625201
Energy: 0.9007255355046541
Energy: 0.857812183227448
Energy: 0.8499051955322305
Energy: 1.021830031651605
Energy: 0.8494904762886147
Energy: 0.9433474124507397
Energy: 0.950384919373198
Energy: 0.8519250852299421
Energy: 0.9484434982691594
Energy: 1.0266779046899934
Energy: 0.9349515877456251
Energy: 1.006004690931882
Energy: 0.9212412309280122
Energy: 0.872501236637093
Energy: 0.8874625291642205
Energy: 1.002640323948151
Energy: 0.9027681331098866
Energy: 0.9960348923917367
Energy: 1.0015972364514039
Energy: 0.9029243964342836
Energy: 0.9787477438882181
Energy: 1.471384921702052
Energy: 1.0070511966425433
Energy: 0.8944765419054237
Energy: 1.0054708494903608
Energy: 1.0457958622196466
Energy: 0.9886082249357826
Energy: 0.8670540385616562
Energy: 0.91857948295144
Energy: 0.9115894004546793
Energy: 0.8491596199580856
Energy: 0.9171924925393309
Energy: 0.9950822405071956
Energy: 1.0116556621577637
Energy: 0.8859138499797219
Energy: 0.8820291551847463
Energy: 0.9357353189278255
Energy: 0.885587068400502
Energy: 0.881807023291613
Energy: 1.809499424743847
Energy: 1.0715318172073984
Energy: 1.3085876481285468
Energy: 1.0059848394312654
Energy: 0.9779917307293522
Energy: 1.4678387723873947
Energy: 1.0109097156419449
Energy: 0.8755008952713664
Energy: 0.8784697261197851
Energy: 0.9257008005505164
Energy: 0.8970161973045954
Energy: 0.8995059896768242
Energy: 0.9253115301840953
Energy: 0.8764759186984389
Energy: 0.8855104842629035
Energy: 0.9045048948930754
Energy: 0.8805256436335658
Energy: 0.9062736620417841
Energy: 0.917332017949002
Energy: 0.8576955035668568
Energy: 0.8883644551726199
Energy: 0.903810612400661
Energy: 0.8674730511393262
Energy: 0.899125019821114
Energy: 0.892034127172878
Energy: 0.8910685969030475
Energy: 0.9416026882279074
Energy: 0.8875247088607365
Energy: 0.983050527557455
Energy: 0.8895298856018373
Energy: 0.8882105309578634
Energy: 1.012759130587513
Energy: 0.9832886249545613
Energy: 0.887419069538848
Energy: 0.9388008134608299
Energy: 0.8829060898186958
Energy: 0.9395903189011449
Energy: 0.8681585957766584
Energy: 0.8524529271410648
Energy: 0.860521227376584
Energy: 0.86648409315657
Energy: 0.8474504820554987
Energy: 0.9236067109537023
Energy: 0.8583048439338646
Energy: 0.8591823060054027
Energy: 0.8619318517385268
Energy: 0.8583254015368266
Energy: 0.8603624909131633
Energy: 0.9590891887106674
Energy: 0.8534764898367754
Energy: 0.8483940647437154
Energy: 0.8663508163166519
Energy: 0.8531841179682675
Energy: 0.8527837013309679
Energy: 0.9552539994140969
Energy: 0.8859002550012912
Energy: 0.9302029079852658
Energy: 0.9063159174162525
Energy: 0.890680783646511
Energy: 1.0117959243242711
Energy: 0.9624664032403623
Energy: 0.8977672132343476
Energy: 0.8988120823917708
Energy: 0.9833963099165755
Energy: 0.8891486455498858
Energy: 0.914445839362047
Energy: 0.9381640563127653
Energy: 0.9046526320705254
Energy: 0.902094144811017
Energy: 0.8516522125612515
Energy: 0.9050754207599604
Energy: 0.8507377715246977
Energy: 1.2602706342886205
Energy: 0.9051101168501151
Energy: 0.9141945397793909
Energy: 0.9413083348008836
Energy: 0.9177797480735785
Energy: 1.0713366020197042
Energy: 1.1979569741650504
Energy: 0.8974464693723269
Energy: 0.9579415842417774
Energy: 0.8855075567333149
Energy: 0.8538028149252055
Energy: 0.8884216905106972
Energy: 0.9350495448831159
Energy: 0.9822363959809611
Energy: 1.2529945898056216
Energy: 1.135851869202398
Energy: 1.0413338936235277
Energy: 0.8608975924756271
Energy: 0.9971753035553778
Energy: 0.9402131745523957
Energy: 0.902935533050041
Energy: 0.9485267396035019
Energy: 0.9746602719626447
Energy: 0.9641181087031928
Energy: 0.981125171231994
Energy: 0.9009820548051216
Energy: 0.9958046791849373
Energy: 0.915514370453301
Energy: 0.9089834143057045
Energy: 0.9113594590165305
Energy: 0.9209349959378732
Energy: 0.939168634806042
Energy: 1.0039292287109702
Energy: 1.058132050941652
Energy: 0.865592886108415
Energy: 0.9168012775695594
Energy: 0.8688940141311486
Energy: 0.8987838767393311
Energy: 0.9416285625991289
Energy: 0.8569514026185023
Energy: 0.9590106694279829
Energy: 0.9740043103074771
Energy: 1.325082752988765
Energy: 0.919791309116661
Energy: 0.9188642304317804
Energy: 0.9913580215440657
Energy: 0.9215854696556354
Energy: 0.9193582883802051
Energy: 1.0555060443801834
Energy: 0.9877121901471251
Energy: 0.9780661997059164
Energy: 0.9409902747292873
Energy: 0.9868962991015026
Energy: 0.8884509872265111
Energy: 0.908050987092972
Energy: 0.8841679681136705
Energy: 0.8831287218743648
Energy: 0.9527290760534655
Energy: 0.889067390555224
Energy: 0.9668148216089382
Energy: 0.9155007309437196
Energy: 0.8941483717182168
Energy: 0.8643451755515845
Energy: 0.9191539153747428
Energy: 0.9213250391714758
Energy: 0.9258419563468927
Energy: 1.0663139822930892
Energy: 0.869181879956431
Energy: 0.9462651398341
Energy: 0.8867130335023056
Energy: 0.8835292542493434
Energy: 0.9307007121288023
Energy: 0.9083293150971389
Energy: 0.8715434540941251
Energy: 0.9498082968450525
Energy: 0.9036213925068868
Energy: 0.8681739300349005
Energy: 0.9060315447341868
Energy: 0.9268817736625786
Energy: 0.9106720179981991
Energy: 0.8624687050022835
Energy: 0.8839601928740958
Energy: 0.8589521239093653
Energy: 0.8732376729968967
Energy: 0.9452337944948961
Energy: 1.1408567401122114
Energy: 1.4612122707105792
Energy: 1.0816966121386076
Energy: 0.9734379120180727
Energy: 0.8674511347400193
Energy: 0.9813324889661437
Energy: 0.9119790930146443
Energy: 0.8763650016246172
Energy: 0.8747823299933352
Energy: 0.869149175594011
Energy: 0.8836404987656284
Energy: 0.924451881292852
Energy: 0.8610323374368279
Energy: 0.8658873711514948
Energy: 0.8590622796702764
Energy: 0.8622938761698438
Energy: 0.8597834758112939
Energy: 0.9376109975619152
Energy: 0.8498135254273027
Energy: 0.8584768037839104
Energy: 0.8676881443292966
Energy: 0.8603956849175617
Energy: 0.8652275261944591
Energy: 1.114055872635997
Energy: 0.870040147540846
Energy: 0.8550744616189334
Energy: 0.9870399507007639
Energy: 0.8766607101267094
Energy: 0.9210579742002778

minimum gb energy = 0.8474504820554987 eV
minimum distance =  2.28110328479939 Angstroms
sigma value = 57


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

Energy: 1.1385974593863506
Energy: 0.9542480442933424
Energy: 0.8496705809554465
Energy: 1.114978348245967
Energy: 1.4195320984209856
Energy: 1.0849462954532803
Energy: 0.9943868038898731
Energy: 0.8778288317059364
Energy: 0.8761910443671995
Energy: 0.8815285222347922
Energy: 0.8782625416764613
Energy: 0.9017555079254573
Energy: 1.0124663399951446
Energy: 0.8981036962006572
Energy: 0.8912547605610549
Energy: 0.8719593809785997
Energy: 0.8784233459303882
Energy: 0.884500519017813
Energy: 0.94831276524144
Energy: 0.6029192594885532
Energy: 0.5918116418947756
Energy: 0.8881912478430639
Energy: 0.5599185132710797
Energy: 0.5769945885054798
Energy: 1.0519837504745575
Energy: 0.8156275294525666
Energy: 0.8057516627302872
Energy: 1.009121604869423
Energy: 0.8099060013308129
Energy: 1.0387692261736514
Energy: 1.165474309379551
Energy: 0.8082669224773716
Energy: 0.8125484309591023
Energy: 0.98878076035593
Energy: 0.808218642629055
Energy: 0.8043123196208053
Energy: 1.1685978820370786
Energy: 0.5858075357401451
Energy: 0.5738238193874827
Energy: 1.0130512657290123
Energy: 0.5576940493499203
Energy: 0.5729739411694348
Energy: 0.5550050597958014
Energy: 0.5221224333267767
Energy: 0.5214204341695937
Energy: 0.5710994432407722
Energy: 0.5238756681234769
Energy: 0.5440620976403857
Energy: 0.5079109570656171
Energy: 0.5055845193193684
Energy: 0.5198214504531873
Energy: 0.5079256421632484
Energy: 0.5245856010148393
Energy: 0.5418364959547799
Energy: 0.5744437568778261
Energy: 0.520836273150781
Energy: 0.5212616167379377
Energy: 0.5082552495901176
Energy: 0.5210881974859086
Energy: 0.5047434012310354
Energy: 0.579461572807394
Energy: 0.5237475673861804
Energy: 0.5313892195426088
Energy: 0.5101929880170506
Energy: 0.5172902782999516
Energy: 0.5063030910080338
Energy: 0.5085001772874118
Energy: 0.5070746640672581
Energy: 0.5072088842625002
Energy: 0.5075507637432888
Energy: 0.5068905586527398
Energy: 0.5422021194546761
Energy: 2.0280268385344202
Energy: 0.5460191985228812
Energy: 0.5460042704930276
Energy: 0.5458394279878153
Energy: 0.5045375539387409
Energy: 0.545247440866294
Energy: 0.6221687981864676
Energy: 0.5823727918192537
Energy: 0.6054342187961904
Energy: 0.5726745511288885
Energy: 0.5817866179426677
Energy: 0.5727758591587222
Energy: 1.1997774063835245
Energy: 0.8034951880595986
Energy: 0.7971440410978656
Energy: 0.998431917280594
Energy: 0.8053382128702627
Energy: 0.7830908150377056
Energy: 1.0938014376427534
Energy: 0.5886016121569689
Energy: 0.592160756696407
Energy: 0.5697890363635661
Energy: 0.8100304525611589
Energy: 0.6050682796070138
Energy: 0.9919379617023467
Energy: 0.8987270614894949
Energy: 0.8870569296757733
Energy: 0.8897661678296516
Energy: 0.8842495074750235
Energy: 0.8704337754505234
Energy: 1.012097689154937
Energy: 0.8949767505178461
Energy: 0.9092367311278492
Energy: 0.9304452182320371
Energy: 0.8975005713119129
Energy: 0.8972071685116746
Energy: 0.9581945271965678
Energy: 0.8783084569627404
Energy: 0.9000816854150726
Energy: 0.765833214764491
Energy: 0.8984682349985058
Energy: 0.8830610508879292

minimum gb energy = 0.5045375539387409 eV
minimum distance =  2.30896564445146 Angstroms
sigma value = 11


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

Energy: 1.707287868185809
Energy: 1.0528247604563319
Energy: 0.9261248259341348
Energy: 0.9305403428296557
Energy: 0.7568564489895909
Energy: 1.1149209452531443
Energy: 0.7757679385978964
Energy: 0.7261816128930976
Energy: 0.7234582334115758
Energy: 0.7161908293269194
Energy: 0.7261064827000124
Energy: 0.7340955524361327
Energy: 0.7657116162556936
Energy: 0.7519770711638147
Energy: 0.7311256602171604
Energy: 0.7352210358342182
Energy: 0.7498467299912068
Energy: 0.773691165318315
Energy: 0.7642210447487118
Energy: 0.7299392173852443
Energy: 0.7508112553032364
Energy: 0.7356645996935689
Energy: 0.7280425764538903
Energy: 0.7257625288604143
Energy: 0.7715530076694229
Energy: 0.8258921524253604
Energy: 0.826416252288986
Energy: 0.7215354681395546
Energy: 0.9018131474868257
Energy: 0.7425905337742232
Energy: 0.7766513960118772
Energy: 0.9608431572177997
Energy: 0.8727480983928307
Energy: 0.7158957627457653
Energy: 0.8564808581482771
Energy: 0.8492115372112374
Energy: 0.8613195451646014
Energy: 0.7449979161889152
Energy: 0.7628474866141494
Energy: 0.7306609266324979
Energy: 0.7263127525768608
Energy: 0.7345522971948982
Energy: 0.7963480028766582
Energy: 0.8347127882823518
Energy: 0.8064582410356186
Energy: 0.7676154453337436
Energy: 0.8532199041399274
Energy: 0.9045169753800766
Energy: 0.85506429331478
Energy: 0.7788091783532205
Energy: 0.7459969321796894
Energy: 0.7219925842819888
Energy: 0.7791146587110721
Energy: 0.7458525399191269
Energy: 1.4494876067531888
Energy: 0.7897266663969154
Energy: 0.7911282418548311
Energy: 0.7937322437351408
Energy: 0.7923733829168763
Energy: 0.9137240527429719
Energy: 0.7611482104485153
Energy: 0.7930335545911684
Energy: 0.8079280167550187
Energy: 0.9072039640997103
Energy: 0.9192885794708693
Energy: 0.8160670269351976
Energy: 0.7838375988728941
Energy: 0.7263057443277234
Energy: 0.7962679700538203
Energy: 0.7305473260146917
Energy: 0.7241889576388971
Energy: 0.8421128161413634
Energy: 0.946673790944143
Energy: 0.8871638836061883
Energy: 0.989201078156686
Energy: 0.9399797688046548
Energy: 0.723971228687322
Energy: 0.8567658146393492
Energy: 0.973343343285639
Energy: 0.9044593080760988
Energy: 0.815932576113652
Energy: 0.8936868033779026
Energy: 0.7337154498826525
Energy: 0.8729150095909064
Energy: 1.1788211769720658
Energy: 1.0434090469778452
Energy: 1.0526916711819
Energy: 1.1730223278877467
Energy: 0.9817049263822163
Energy: 0.9889000194768244
Energy: 1.2331244748667447
Energy: 0.9027467603445345
Energy: 0.9387766174510228
Energy: 0.9151827473889862
Energy: 0.8022363730244094
Energy: 0.8692095022119969
Energy: 1.2204453041596197
Energy: 0.8432188857500078
Energy: 0.9297445157451674
Energy: 1.1070067681948277
Energy: 0.827127487367103
Energy: 1.1276535895068343
Energy: 1.1657210758849685
Energy: 0.8970480146442048
Energy: 0.8627400120043691
Energy: 0.8629877769355127
Energy: 0.9045251481122589
Energy: 0.8370507109687368
Energy: 0.7705716439241561
Energy: 0.8790716517253396
Energy: 0.9083056297856823
Energy: 0.7868251405729769
Energy: 0.910362189614184
Energy: 0.8484732282867433
Energy: 1.0067270958557484
Energy: 0.8123503873118886
Energy: 0.7658052440222021
Energy: 0.8742681653309691
Energy: 0.8092009066000309
Energy: 0.97927345682248
Energy: 1.0812140166695066
Energy: 0.8713055466123375
Energy: 0.942722774568631
Energy: 0.9152405956550161
Energy: 0.9713437518324392
Energy: 0.7962453773493078
Energy: 1.3185980874556575
Energy: 1.1321198368764591
Energy: 1.0213523040629486
Energy: 0.8235874445676885
Energy: 0.9591516941069529
Energy: 1.000283275784371
Energy: 0.8640292241560994
Energy: 0.7936050389262755
Energy: 0.8014260801766239
Energy: 0.791014878583907
Energy: 0.732600120692662
Energy: 0.7507537071013235
Energy: 0.8390090577796934
Energy: 0.7381298315841127
Energy: 0.8720576694647237
Energy: 0.8238709119500954
Energy: 0.7473951774348397
Energy: 0.7361025252428778
Energy: 0.7714309778598496
Energy: 0.7381914720877116
Energy: 0.7301434746600485
Energy: 0.7315851422342603
Energy: 0.736260148362798
Energy: 0.7805678667020367
Energy: 0.8734599566636234
Energy: 0.736120980090576
Energy: 0.7213027040271496
Energy: 0.9005937967015601
Energy: 0.7360107367149187
Energy: 0.7156646688879891

minimum gb energy = 0.7156646688879891 eV
minimum distance =  2.29533794434025 Angstroms
sigma value = 41


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

Energy: 1.5762710293733007
Energy: 0.9399045966171755
Energy: 1.3943433471141593
Energy: 1.4791456615299934
Energy: 0.9570824021777816
Energy: 1.0762502641286553
Energy: 0.8090634047724229
Energy: 0.7870802688933518
Energy: 0.8005120332594865
Energy: 0.769553629086194
Energy: 0.7868969385144091
Energy: 0.786354179688858
Energy: 0.8407058019188114
Energy: 0.8002225776286856
Energy: 0.785327184752055
Energy: 0.8198373501326525
Energy: 0.8208753879841247
Energy: 0.8009050291827934
Energy: 0.8408411917178918
Energy: 0.7826779597662382
Energy: 0.8061359722921639
Energy: 0.8204461772131244
Energy: 0.8008356195777768
Energy: 0.7834146649482644
Energy: 0.7980278451977626
Energy: 0.8730318177567555
Energy: 0.8702596706094886
Energy: 0.759228310329661
Energy: 0.8787851358473385
Energy: 0.8211839885675412
Energy: 1.0324806972637464
Energy: 0.9546469134428628
Energy: 0.8124570476155667
Energy: 0.7914554699271806
Energy: 1.0223707670141007
Energy: 0.8620587763468105
Energy: 0.9844444951600759
Energy: 0.8481191124815353
Energy: 0.8614386263220899
Energy: 0.8102872052783414
Energy: 0.7899355643137623
Energy: 0.7849673740786433
Energy: 0.8731027650040859
Energy: 0.9171822764518323
Energy: 0.9400223711696017
Energy: 0.8106594727561304
Energy: 0.9168495579463655
Energy: 0.87772376033941
Energy: 0.8733970027128576
Energy: 0.8609642640346016
Energy: 0.8505194554104326
Energy: 0.787909852726576
Energy: 0.8611670201132039
Energy: 0.8633816520625078
Energy: 1.2174108512753792
Energy: 0.9609293415264009
Energy: 0.9187235558666627
Energy: 0.7982345998205972
Energy: 0.891924196492707
Energy: 0.9526890302225012
Energy: 1.0820573038922057
Energy: 0.777274856838905
Energy: 0.7926805032731805
Energy: 0.7974252679245973
Energy: 0.7726493067533298
Energy: 0.836099722656125
Energy: 0.8174703303234544
Energy: 0.7924046106714717
Energy: 0.7644256064377966
Energy: 0.7733754035007073
Energy: 0.7920704811342396
Energy: 0.8683096206340589
Energy: 0.9098780916085346
Energy: 0.7643057246871416
Energy: 0.9636290230921553
Energy: 0.8912697071652921
Energy: 0.7932174996970044
Energy: 1.0133664853866253
Energy: 0.9242713507740147
Energy: 0.7961197390310891
Energy: 0.838322572956088
Energy: 0.8779637928471764
Energy: 0.7852413498882664
Energy: 0.8394210141611727
Energy: 0.9401511236629773
Energy: 0.99838022979646
Energy: 0.8802899661228063
Energy: 0.9400096317922702
Energy: 1.003650948576375
Energy: 0.9163507852284211
Energy: 0.819682036619608
Energy: 0.7838207629601945
Energy: 0.7857840509376931
Energy: 0.786638413967674
Energy: 0.8026100244453626
Energy: 0.8314153065791867
Energy: 1.5712458513492695
Energy: 0.7974853104681033
Energy: 0.8612994445012693
Energy: 0.8906992663318757
Energy: 0.7956819134251367
Energy: 0.8467662418496255
Energy: 1.3222497852532629
Energy: 0.758088625760339
Energy: 0.7759498087458474
Energy: 0.8539854778635778
Energy: 0.7589896521821515
Energy: 0.8103828541649744
Energy: 0.802615547444114
Energy: 0.8200270902553638
Energy: 0.8202877071544227
Energy: 0.7848112568443181
Energy: 0.819815680981625
Energy: 0.7989423899888968
Energy: 0.8429609416747608
Energy: 0.7982847306489497
Energy: 0.7996463490154816
Energy: 0.8003371830230199
Energy: 0.8197637609979651
Energy: 0.7871689499842376
Energy: 0.8076181196834225
Energy: 0.8150879696160521
Energy: 0.8059644554738442
Energy: 0.772237937767384
Energy: 0.818407412718578
Energy: 0.7698142041515122
Energy: 0.8047832597822548
Energy: 0.950342975988488
Energy: 0.8588048744868801
Energy: 0.8228905721097016
Energy: 1.0039233470729576
Energy: 1.0909373387605033
Energy: 0.9553829232904336
Energy: 0.813551604451244
Energy: 0.797116812615702
Energy: 0.78677900090663
Energy: 0.7903734528228952
Energy: 0.8275167460336591
Energy: 0.8664421144612544
Energy: 0.9318973747931297
Energy: 0.8918200662242377
Energy: 0.8101340579673024
Energy: 0.960580732450565
Energy: 0.8707759095221144
Energy: 0.9529962382889752
Energy: 0.8813161824532652
Energy: 0.8643139201518314
Energy: 0.8236799948830147
Energy: 0.8726333823338082
Energy: 0.8664980615577976
Energy: 1.2108406869061012
Energy: 0.908246871559214
Energy: 0.9116290018690023
Energy: 0.818814464364004
Energy: 0.8914880454420115
Energy: 0.8630229845112463
Energy: 1.2172128238067779
Energy: 0.8398450549737326
Energy: 0.791219467717604
Energy: 0.7979336858078386
Energy: 1.0872074407378434
Energy: 0.8649752535400534
Energy: 0.8454190242964271
Energy: 0.7944312150227828
Energy: 0.8420231634697043
Energy: 0.7906045925075542
Energy: 0.795428553887585
Energy: 0.8652845565095827
Energy: 1.0982604979312405
Energy: 0.7920174864910918
Energy: 1.0368330588424959
Energy: 1.0947113852955919
Energy: 1.036869978332515
Energy: 1.0153532538561671
Energy: 0.8827374030444091
Energy: 0.8846856597331395
Energy: 0.858880572056152
Energy: 0.8778222945347265
Energy: 0.8394051744694462
Energy: 0.845624740054203
Energy: 0.9261430020160198
Energy: 0.8223726415213608
Energy: 1.0097827655280471
Energy: 0.9163663943545896
Energy: 1.0096027281142508
Energy: 0.9061875078766857
Energy: 0.8205230502857218
Energy: 0.8006249191108598
Energy: 0.7830984765501846
Energy: 0.7877394830206264
Energy: 0.7993996500101306
Energy: 0.833332904534141
Energy: 1.5672775526911524
Energy: 0.8211755926051173
Energy: 0.821327847748114
Energy: 0.7930759204896914
Energy: 0.7905510001246572
Energy: 0.8620752697890611

minimum gb energy = 0.758088625760339 eV
minimum distance =  2.28364419105908 Angstroms
sigma value = 33


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

Energy: 0.9523092918769638
Energy: 0.912225987299629
Energy: 0.8514991102469417
Energy: 0.9926637498208469
Energy: 0.9142250272889859
Energy: 1.8245683345339956
Energy: 1.0477244942867654
Energy: 0.8330566141419163
Energy: 0.8069781530183833
Energy: 0.8406580024398843
Energy: 0.8324115977206897
Energy: 0.819022441237962
Energy: 0.906172964786033
Energy: 0.8811649275242937
Energy: 0.8809906616790024
Energy: 0.8806092479682771
Energy: 0.8797828330106756
Energy: 0.9194059203192004
Energy: 0.9060358699092496
Energy: 0.8798831556853655
Energy: 0.825769587493535
Energy: 0.8802124227563288
Energy: 0.8762091833017228
Energy: 0.8611082001893023
Energy: 0.8696994494702533
Energy: 0.8757537350551687
Energy: 0.900157994534479
Energy: 0.8352294414367686
Energy: 0.8750710183622665
Energy: 0.8312792979217483
Energy: 0.9372471305145675
Energy: 0.8762665472129209
Energy: 0.8993135067749979
Energy: 0.8354001053785174
Energy: 0.8770659358065114
Energy: 0.8532475721382886
Energy: 1.1633056769889933
Energy: 0.9215546250425819
Energy: 0.9060587591453371
Energy: 0.8805871497438958
Energy: 0.8261211223314392
Energy: 0.9395908642526504
Energy: 0.9475463328491833
Energy: 0.8247094756868965
Energy: 0.9288641996581164
Energy: 0.9216663642752347
Energy: 0.8243385169470062
Energy: 0.9782021264146861
Energy: 0.9621989803331712
Energy: 0.8225421243082642
Energy: 0.8069410856357988
Energy: 0.8949164725871199
Energy: 0.8211233222536759
Energy: 0.8025880174338886
Energy: 1.4727494458984869
Energy: 0.8256753693734544
Energy: 0.8067229514647416
Energy: 0.8776922570258705
Energy: 0.8241291381154249
Energy: 0.8058616648455642
Energy: 1.1427581736567876
Energy: 0.923486274880876
Energy: 0.8251817745055388
Energy: 0.876008087100866
Energy: 0.8808081817926064
Energy: 0.9475110238242708
Energy: 0.9324018376442847
Energy: 0.838861032253421
Energy: 0.9287878295585883
Energy: 0.893107062382675
Energy: 0.8343048517365728
Energy: 1.02417740909183
Energy: 0.8642796804084194
Energy: 0.8370574566611656
Energy: 1.0186051552607196
Energy: 0.8317736983390974
Energy: 0.836096303969687
Energy: 0.8024148532474724
Energy: 0.8945346753368395
Energy: 0.8656147563453216
Energy: 0.83911842995208
Energy: 0.8790625091717856
Energy: 0.8804776931412078
Energy: 0.8693806720190632
Energy: 0.8903052216837534
Energy: 0.8853152418849414
Energy: 0.9394661581658197
Energy: 0.8924492223325042
Energy: 0.8866841755509045
Energy: 0.8905805534280549
Energy: 0.9090638273560175
Energy: 0.8609658856772953
Energy: 0.832772309616574
Energy: 0.8815924394494953
Energy: 0.8604586596989307
Energy: 0.8487978684861366
Energy: 1.444441348724595
Energy: 0.8327524438006674
Energy: 0.8801243579486421
Energy: 1.3275859419346168
Energy: 0.8320940534498519
Energy: 1.0138050523255724
Energy: 1.1405774920996907
Energy: 0.9646602979096386
Energy: 0.965226439142821
Energy: 0.8758617155334717
Energy: 0.889271977251587
Energy: 0.9457799461030211
Energy: 1.0886397909923435
Energy: 0.9147164655928034
Energy: 0.9225953813707701
Energy: 0.8788905094112541
Energy: 0.9132247864254767
Energy: 0.9780188481675866
Energy: 0.8476607363191805
Energy: 0.9145677417939778
Energy: 0.9255239035482575
Energy: 0.8292710765661905
Energy: 0.9133340498252586
Energy: 0.8244957328124966
Energy: 0.8296141718718065
Energy: 0.971636167278829
Energy: 0.8831691172205485
Energy: 0.8067662658728102
Energy: 0.9713118989291044
Energy: 0.8033439899375628
Energy: 0.8729552260678077
Energy: 1.373047962173354
Energy: 1.3761454754696825
Energy: 0.8263175731150428
Energy: 1.3753641130672802
Energy: 0.8318160051068625
Energy: 1.1034574187145432
Energy: 0.9407591613528498
Energy: 0.8691012174635809
Energy: 0.82393410815643
Energy: 0.8509470697717502
Energy: 0.8990830427273994
Energy: 0.949112090402139
Energy: 0.8109960967834203
Energy: 0.802895652279183
Energy: 0.9300754408880224
Energy: 0.8218327794925356
Energy: 0.8021363433413903
Energy: 1.3575357239685861
Energy: 0.8349815365437955
Energy: 0.8097022123904793
Energy: 0.9301729263005399
Energy: 0.8343639791325215
Energy: 0.8213333207173732
Energy: 0.9056618472166218
Energy: 0.8785890602080791
Energy: 0.8794178249038892
Energy: 0.8796378928096402
Energy: 0.8781768079273731
Energy: 0.83597405871138
Energy: 0.9067960970821858
Energy: 0.8785827524632752
Energy: 0.8462370731861589
Energy: 0.8799878191063993
Energy: 0.8752568221626393
Energy: 0.8626254765769995
Energy: 0.8662824785726505
Energy: 0.8220808437181955
Energy: 0.8960314443063846
Energy: 0.8670420237421829
Energy: 0.8758959877156639
Energy: 0.8624375302487314
Energy: 0.8797580993359073
Energy: 0.8754175075081495
Energy: 0.9003333011674209
Energy: 0.8415636000488167
Energy: 0.9005432727483502
Energy: 0.8343353564323546
Energy: 1.168700907120041
Energy: 0.833494559524409
Energy: 0.8242359388028229
Energy: 0.8832588575646959
Energy: 0.82605592867305
Energy: 0.8805724429201727
Energy: 0.948820365421118
Energy: 1.13157276325548
Energy: 0.9465205311545601
Energy: 0.9248293849238599
Energy: 0.9287471953668593
Energy: 0.9772022826784206
Energy: 1.1695983031532549
Energy: 0.822790446585125
Energy: 0.8239972130776924
Energy: 0.8802217457137559
Energy: 0.820946821637795
Energy: 0.8225325144949047
Energy: 0.9273522579445241
Energy: 0.8295463468737534
Energy: 0.8248511844572675
Energy: 0.8770514928752142
Energy: 0.8293845041695072
Energy: 0.9067038493913911
Energy: 0.930092742250288
Energy: 0.8083118148099568
Energy: 0.8527944693201228
Energy: 0.8764128881833455
Energy: 0.8526761268608387
Energy: 0.9927567604318902
Energy: 1.1125429696221214
Energy: 0.8361998522065475
Energy: 0.9478011174044062
Energy: 0.8891848118655272
Energy: 0.8354841550512367
Energy: 0.9204042760744748
Energy: 0.8662630135716483
Energy: 0.8344354463791382
Energy: 0.7894372405254051
Energy: 0.8345098585965723
Energy: 0.9437546699424288
Energy: 0.8025144417030972
Energy: 0.8670334223533719
Energy: 0.8489690926685532
Energy: 0.8192110636675454
Energy: 0.8494406246703003
Energy: 0.8601355527858705
Energy: 0.8061727278756734
Energy: 0.8894710091389665
Energy: 0.9347928200796024
Energy: 0.936210688900881
Energy: 0.8497167818746221
Energy: 0.9129947412338337
Energy: 0.8852124500320099
Energy: 0.9068369744021378
Energy: 0.8603402606289413
Energy: 0.8649103150674916
Energy: 0.8620298314772973
Energy: 0.8600689154892341
Energy: 0.8774136462442187
Energy: 1.4447031521651434
Energy: 0.8330488328806963
Energy: 0.8335519418981947
Energy: 0.8761432771720317
Energy: 0.8322987057484562
Energy: 0.9287207259394346
Energy: 1.1076130052471185
Energy: 0.9357717381347611
Energy: 0.9366786806099068
Energy: 0.8746280862374493
Energy: 0.8927806539551569
Energy: 0.9330170821746085
Energy: 1.087686786525167
Energy: 0.9155841200737956
Energy: 0.9246160946327479
Energy: 0.8505108457228598
Energy: 0.9143678338925565
Energy: 0.9756681569908063
Energy: 0.8515520357545752
Energy: 0.9160887145810254
Energy: 0.9520853846403299
Energy: 0.8232919246855918
Energy: 0.9156068633124148
Energy: 0.8364361668759855
Energy: 0.8263230988780463
Energy: 1.0048957316505764
Energy: 0.8036701110002796
Energy: 0.8033498096235022
Energy: 0.9243978507692735
Energy: 0.8065038111413738
Energy: 1.128785940591074
Energy: 1.373774099162082
Energy: 1.3801469697768356
Energy: 0.8793910220299098
Energy: 1.376197359556961
Energy: 0.8408444713141505
Energy: 1.0748114743434047
Energy: 0.9728754480921324
Energy: 0.8683492825799803
Energy: 0.8614246583945419
Energy: 0.8794148929960406
Energy: 0.8097680322443545
Energy: 1.9980016990298375
Energy: 0.943838016930438
Energy: 0.8024119799579524
Energy: 0.8124548334268155
Energy: 0.8957262665023323
Energy: 0.7901709408915273

minimum gb energy = 0.7894372405254051 eV
minimum distance =  2.28239776656582 Angstroms
sigma value = 67


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

Energy: 1.1444076501411606
Energy: 0.8858962751056094
Energy: 0.8207349840161939
Energy: 1.0367135740849807
Energy: 1.6460829609373564
Energy: 1.0364926221968247
Energy: 1.0734431635050778
Energy: 0.8770847560642023
Energy: 0.8220436519283315
Energy: 1.017348045121571
Energy: 0.875632206750636
Energy: 0.8254077732510159
Energy: 0.9682730777424395
Energy: 0.7928757861534547
Energy: 0.8303950910921516
Energy: 0.9416635200572369
Energy: 0.7913492925077003
Energy: 0.9358846800580816
Energy: 0.9101183786297558
Energy: 0.8238734869764172
Energy: 0.8256513245164375
Energy: 0.9006228538502484
Energy: 0.8801171292490515
Energy: 0.8258488202402784
Energy: 0.9069997338727561
Energy: 0.8255192099131897
Energy: 0.8256911828614631
Energy: 0.878041671226972
Energy: 0.8790209105553974
Energy: 0.8771612713206144
Energy: 0.905794136636342
Energy: 0.8240360193397588
Energy: 0.8789295023300154
Energy: 0.8791159822418491
Energy: 0.934691836669188
Energy: 0.8786314856407984
Energy: 1.1690177913609254
Energy: 0.8762836616106026
Energy: 0.8246894903444764
Energy: 1.0871039052418445
Energy: 0.8763813463456849
Energy: 0.8669246948014929

minimum gb energy = 0.7913492925077003 eV
minimum distance =  2.31336642674432 Angstroms
sigma value = 3


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

Energy: 1.463132468660076
Energy: 1.1302449640110692
Energy: 1.0338442981958182
Energy: 0.9709245948862248
Energy: 1.061163634024319
Energy: 1.0688743010089314
Energy: 1.0008788702478708
Energy: 1.0041005996850338
Energy: 1.0500867812116095
Energy: 0.9723522701925059
Energy: 1.0095196365355872
Energy: 0.9911965031451362
Energy: 1.177121956512652
Energy: 1.1767596237174225
Energy: 1.0363946821911982
Energy: 1.155745152570573
Energy: 1.2363894686660328
Energy: 1.1669853910764583
Energy: 1.0126008570009777
Energy: 0.910591046578203
Energy: 0.8849502927943187
Energy: 1.0236337694489843
Energy: 1.0409917474257737
Energy: 0.912449742522914
Energy: 1.013385233323896
Energy: 0.9534942659532807
Energy: 0.9486578694828186
Energy: 1.004289343195802
Energy: 1.1068148890106124
Energy: 0.8774611460931967
Energy: 1.0274160597599609
Energy: 1.1597710571735018
Energy: 1.1538973985859458
Energy: 1.1121794951098094
Energy: 1.18507959553022
Energy: 1.1118750192598623
Energy: 0.972123876426518
Energy: 1.0674106443640625
Energy: 1.0709175143725571
Energy: 1.0391082291010232
Energy: 0.9650281382563963
Energy: 1.0350711022165908
Energy: 1.3636171502097536
Energy: 1.1157298612320274
Energy: 1.0301324030273125
Energy: 1.0603003787986285
Energy: 1.2492749730290773
Energy: 1.1082883980743305
Energy: 0.9730331241943567
Energy: 1.0362835846228229
Energy: 1.0098933311917093
Energy: 1.0872563119136245
Energy: 1.1021114568437067
Energy: 1.0534066288606911
Energy: 1.2913771944207042
Energy: 0.9891886206775212
Energy: 0.9895412557769778
Energy: 1.2291021823870236
Energy: 0.9856268035621653
Energy: 1.0299123064362554
Energy: 1.151116439452342
Energy: 1.0450127073171291
Energy: 0.9835232248542013
Energy: 1.1183331145702073
Energy: 0.9563374808991693
Energy: 1.0210123834901168
Energy: 1.2000847151717327
Energy: 1.1501158835881482
Energy: 1.0341782286878718
Energy: 1.1746701424428254
Energy: 1.0303615742354737
Energy: 1.04021008214825
Energy: 1.1211746701109893
Energy: 1.003933403673044
Energy: 0.9735163047164526
Energy: 1.1003510928527953
Energy: 1.0110392703579842
Energy: 0.9639789830692823
Energy: 1.1542643015270388
Energy: 0.9674693684421989
Energy: 0.9482334308908116
Energy: 1.0783833697764653
Energy: 0.9752386076127506
Energy: 0.9454239453268447
Energy: 1.2024750921610476
Energy: 1.2330446561402078
Energy: 1.2133676056612723
Energy: 1.1547828328307903
Energy: 1.114709912945848
Energy: 1.054630388692161
Energy: 1.2675521467631679
Energy: 1.000072071074814
Energy: 0.9899832227893578
Energy: 1.0766275295963685
Energy: 1.033000165933907
Energy: 0.9891645031798605
Energy: 1.2088665426137037
Energy: 1.0231721007262629
Energy: 1.0229216601577173
Energy: 1.1797259629240526
Energy: 1.119115800366164
Energy: 1.1418976462935713
Energy: 1.0967659583839897
Energy: 1.051456487992809
Energy: 1.0135791952614404
Energy: 1.0670239886598263
Energy: 1.0498367266106508
Energy: 1.0417373255336972
Energy: 1.3191285451831076
Energy: 1.2295917985913731
Energy: 1.0241128198391065
Energy: 0.9936247109532883
Energy: 1.181089916338848
Energy: 0.9883168068303955
Energy: 1.269712179715589
Energy: 1.0076653352432745
Energy: 1.0130671860747036
Energy: 0.9927093529953702
Energy: 1.0382017600679159
Energy: 0.9881688099846537
Energy: 1.096694793863228
Energy: 0.9813697748459095
Energy: 0.9789489607002378
Energy: 1.0608743657751236
Energy: 0.9708424051328938
Energy: 0.9875743556502921
Energy: 1.0837414979566335
Energy: 1.150605575743789
Energy: 1.149466341764798
Energy: 1.0736745632846336
Energy: 1.1498713837391958
Energy: 1.1427644643536372
Energy: 1.0402145794092694
Energy: 1.086675502852258
Energy: 1.0003849129277949
Energy: 1.021222511275359
Energy: 0.9779461931686315
Energy: 0.9923981091988473
Energy: 1.0220114452858358
Energy: 1.2213114910564404
Energy: 0.9634140529332681
Energy: 1.0707070775941825
Energy: 1.0909775916597788
Energy: 1.061274794387435
Energy: 1.338243882897999
Energy: 1.0651624974885503
Energy: 1.0369662690999881
Energy: 1.061159388471204
Energy: 1.0734986339950692
Energy: 1.0238159175471997
Energy: 1.4427510662059784
Energy: 1.1471876793805011
Energy: 1.0174026893569583
Energy: 0.9374912436793942
Energy: 1.1736028997767456
Energy: 1.0202326858569677
Energy: 0.8688078970720504
Energy: 1.1525476113967088
Energy: 0.9812976458552987
Energy: 0.9059112658717017
Energy: 1.2353344861094726
Energy: 0.9699080234128453
Energy: 1.1505415896021034
Energy: 1.024464298382164
Energy: 1.048989666669677
Energy: 1.0610510614884312
Energy: 1.090924699353512
Energy: 1.0071474978240396
Energy: 1.0294571473739635
Energy: 1.1887089817237402
Energy: 1.1191067320835313
Energy: 1.0252764514943942
Energy: 1.1787989975643567
Energy: 1.0086476965369051
Energy: 0.9478085086577995
Energy: 1.0582985050091103
Energy: 0.9369596967488448
Energy: 0.9383830860565487
Energy: 1.0526964273554194
Energy: 0.9498025486660586
Energy: 1.032006760006099
Energy: 1.17774819871652
Energy: 1.1692195487373938
Energy: 1.029106059127046
Energy: 1.179718569994604
Energy: 1.0779200045381268
Energy: 1.0561474750801545
Energy: 1.0488930173193598
Energy: 1.0509855929767127
Energy: 1.090407012302412
Energy: 1.063502370080912
Energy: 1.0346758295540242
Energy: 1.3486220956425838
Energy: 1.0424918863097552
Energy: 1.0787247957122144
Energy: 1.2180092001208924
Energy: 1.0708044932191756
Energy: 1.0225531658999085
Energy: 1.1173585620305175
Energy: 1.1743273806636847
Energy: 1.037725884118712
Energy: 1.034429617997424
Energy: 1.2037547267315218
Energy: 1.0665764403262668
Energy: 1.2885713302755486
Energy: 1.0324100246297063
Energy: 1.002333506757962
Energy: 1.2745741805586974
Energy: 1.0503463239450868
Energy: 1.012910824843903
Energy: 1.1976427505496734
Energy: 0.989865996160882
Energy: 0.9883186357409735
Energy: 1.1191045901951657
Energy: 0.9831313178800571
Energy: 1.0409357766462062
Energy: 1.1434960997652905
Energy: 1.0047175937536967
Energy: 1.025151098270082
Energy: 1.1210175873777422
Energy: 0.9981631137298556
Energy: 1.0379713622841087
Energy: 1.1487871379062817
Energy: 0.9685520694681062
Energy: 1.175335132176791
Energy: 1.1069731603131407
Energy: 1.030302830425783
Energy: 1.1714173753749948
Energy: 1.1663090994849457
Energy: 0.9506467409215942
Energy: 0.9610260095769543
Energy: 1.0407484646991707
Energy: 0.9496448591650984
Energy: 0.946336960747776
Energy: 1.2053959178805207
Energy: 1.0099074935597891
Energy: 1.0007785834705492
Energy: 1.2004716218583147
Energy: 1.0177714168528287
Energy: 1.0010138319957655
Energy: 1.364174646980711
Energy: 1.007565822997491
Energy: 1.0052486645219672
Energy: 1.326842599432576
Energy: 1.1330469298154275
Energy: 1.0050117868921777
Energy: 1.1186736844896077
Energy: 1.0258721598739922
Energy: 0.9687262125821894
Energy: 1.1849269349779536
Energy: 0.9686239965480558
Energy: 1.0687925533631022
Energy: 1.2509125286036242
Energy: 1.0070329955312982
Energy: 1.0657997176904468
Energy: 1.229488659723997
Energy: 1.0028895869078913
Energy: 1.0834892740740372
Energy: 1.2153170452272841
Energy: 1.0417251569051151
Energy: 1.0388012414835384
Energy: 1.035194164048314
Energy: 1.0741387206079969
Energy: 1.005982882874977
Energy: 1.292774960642545
Energy: 1.0738782724939089
Energy: 0.9845986647764033
Energy: 1.1423663342573678
Energy: 1.0429540992055713
Energy: 0.9892915467155368
Energy: 1.0260229338313327
Energy: 0.9709839694666597
Energy: 0.9735896294258544
Energy: 1.001789363139435
Energy: 0.8793796024522719
Energy: 0.974324814871664
Energy: 1.140088421571329
Energy: 1.059854295076222
Energy: 1.081215246577536
Energy: 1.1179382036084524
Energy: 1.0650120456551668
Energy: 1.1477626291780523
Energy: 1.0638961557248496
Energy: 1.0151306299715412
Energy: 0.9570349939713862
Energy: 0.9744815219149848
Energy: 0.9780011965790242
Energy: 0.9090073865079265
Energy: 1.0710926786963082
Energy: 0.9610074592006544
Energy: 0.9529816006229296
Energy: 1.0737766526108896
Energy: 1.138672683181484
Energy: 0.9795482911514585
Energy: 1.1978587413508586
Energy: 1.0739104966776882
Energy: 1.0439754491805233
Energy: 1.2065803910284545
Energy: 1.0878163042056448
Energy: 1.0633582155451742
Energy: 0.9442362411660224
Energy: 1.0066959988055435
Energy: 1.049634237465773
Energy: 0.9815188927680137
Energy: 1.0109170604379212
Energy: 0.9904055275775816

minimum gb energy = 0.8688078970720504 eV
minimum distance =  2.29026613538945 Angstroms
sigma value = 81


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

Energy: 1.4237121739007343
Energy: 1.02805838572459
Energy: 0.9435558778922515
Energy: 1.2237189579315753
Energy: 1.0275978252216504
Energy: 0.9445588387820401
Energy: 0.8694822278964232
Energy: 0.8094325160971778
Energy: 0.873633168499431
Energy: 0.8068815780305827
Energy: 0.8108144982542708
Energy: 0.8257396613370193
Energy: 0.9514000622226069
Energy: 0.8047068668848206
Energy: 0.9759139825612341
Energy: 1.0129750055386058
Energy: 0.7969166734712052
Energy: 0.9829090948554869
Energy: 0.8642032412020585
Energy: 0.7984973940196968
Energy: 0.8230895253827497
Energy: 0.8054022336038325
Energy: 0.9147998201564888
Energy: 0.8022486884774092
Energy: 0.9273849662970388
Energy: 0.8238953835420562
Energy: 0.8905676499312043
Energy: 0.8693189376834525
Energy: 0.8270986759212587
Energy: 0.8639020184230398
Energy: 0.9241205354405387
Energy: 0.894988470563232
Energy: 0.8958344109110938
Energy: 1.0657663841939062
Energy: 0.8947806310243176
Energy: 0.8650263893781344
Energy: 0.8691043887242114
Energy: 0.8084407748307232
Energy: 0.8267720767707006
Energy: 0.8075373213586182
Energy: 0.8092704488852205
Energy: 0.8261354485030677
Energy: 1.1655391396850976
Energy: 1.026564217807606
Energy: 1.0254091624413377
Energy: 0.9390529219442739
Energy: 1.040633509635098
Energy: 0.9821561701548895
Energy: 0.8704979622446418
Energy: 0.8891439898126835
Energy: 0.8255521111691191
Energy: 0.8069401916935894
Energy: 0.8673241987335968
Energy: 0.825787795600654
Energy: 0.9533872785387948
Energy: 0.9281793485359547
Energy: 0.9229802471188485
Energy: 0.9062393040222109
Energy: 0.9239838527625615
Energy: 0.9205215431794213
Energy: 0.9284309165749062
Energy: 0.7984333076834367
Energy: 0.8581019028155684
Energy: 0.9208245274335931
Energy: 1.0597505473614584
Energy: 0.8281552414121011
Energy: 0.9242613464182712
Energy: 0.8691800627341637
Energy: 0.8642817692291394
Energy: 0.914424906359086
Energy: 0.8676027712083683
Energy: 0.8922781896768863
Energy: 0.9311606501689501
Energy: 0.8674116788525222
Energy: 0.8651085207995747
Energy: 0.796425634228836
Energy: 0.866734007282985
Energy: 1.018894181190874
Energy: 0.8656197022534845
Energy: 0.8058527269511297
Energy: 0.8011236889765432
Energy: 0.8097323176759937
Energy: 0.8041832072033328
Energy: 0.8467246791698869
Energy: 1.1675239310064283
Energy: 1.11254752490599
Energy: 0.9834365892636271
Energy: 1.0437734576091298
Energy: 0.9893157616981305
Energy: 0.9824346484326502
Energy: 0.8128590988910982
Energy: 0.9187498534536781
Energy: 0.8573470617304008
Energy: 0.8084445620453745
Energy: 0.8073348329987523
Energy: 0.825633918497484
Energy: 1.0602880678420037
Energy: 0.9849371557284636
Energy: 0.9811996892660125
Energy: 1.02301952710211
Energy: 0.9380657617474959
Energy: 0.9820744543309813
Energy: 1.0541737968363463
Energy: 0.8508506063049622
Energy: 0.8268686896386651
Energy: 0.9181825641274898
Energy: 0.8088039374879604
Energy: 0.8914770186247801
Energy: 1.1200387661356916
Energy: 1.063859414690341
Energy: 0.9202101976965776
Energy: 0.8826915991230836
Energy: 1.0637465523569771
Energy: 0.9195163481505271
Energy: 1.3362246666770166
Energy: 0.871958628847303
Energy: 0.9203798512960316
Energy: 0.9205076696138769
Energy: 0.9302884647551027
Energy: 0.9195938702346463
Energy: 1.1033139000863537
Energy: 0.8504547032131697
Energy: 0.8253175349126037
Energy: 0.8679716562862028
Energy: 0.8091771906847355
Energy: 0.8896467013843614
Energy: 0.9258171605969834
Energy: 1.0151477161422728
Energy: 1.0160982368009803
Energy: 0.866367008187203
Energy: 0.9809793588966434
Energy: 1.0149049736553266
Energy: 0.8081050171091458
Energy: 0.857561173219781
Energy: 0.8430518381353331
Energy: 0.8006842373839277
Energy: 0.8089978629097241
Energy: 0.8004038967445976
Energy: 0.9270370178556596
Energy: 1.153285807398668
Energy: 1.0164192111221007
Energy: 0.8664383248591879
Energy: 1.1222507340777441
Energy: 0.9914863935689752
Energy: 1.1020085075493566
Energy: 0.8239276524371891
Energy: 0.8263414131977134
Energy: 0.868493606300199
Energy: 0.8079062167553692
Energy: 0.906275708139371
Energy: 1.18417010655599
Energy: 1.0252307482625003
Energy: 1.0243740374444217
Energy: 0.88981356929538
Energy: 1.0246666111022251
Energy: 0.9301576775757543
Energy: 1.1814697348813457
Energy: 1.0243776964817712
Energy: 0.9829669406357162
Energy: 0.892535889096844
Energy: 1.0254510010229225
Energy: 0.8916187044522372
Energy: 1.1021197511096767
Energy: 0.7969451078020707
Energy: 0.8271077792878808
Energy: 0.8692702076327304
Energy: 1.0596428453124966
Energy: 0.8909975098272976
Energy: 0.9494581312287859
Energy: 0.9225121300763803
Energy: 0.9201639307551877
Energy: 0.9432637480599132
Energy: 0.917587202544375
Energy: 0.9200000393783718
Energy: 0.8780025131894408
Energy: 0.8071516833711361
Energy: 0.8236756808000181
Energy: 0.8076022948707267
Energy: 0.8675132473046391
Energy: 0.8249624612722378
Energy: 0.9207404555964178
Energy: 0.984725576407295
Energy: 0.9843884112037087
Energy: 0.7971904022371641
Energy: 0.9368384918357916
Energy: 1.016407542691704
Energy: 0.8654092411796795
Energy: 0.8012959429750537
Energy: 0.8015499310056167
Energy: 0.8070912812261047
Energy: 0.804527696565008
Energy: 0.8007370395106784
Energy: 1.1702413433332692
Energy: 0.8701464609541124
Energy: 0.8638047392337134
Energy: 0.8944442502240865
Energy: 0.8681735478320276
Energy: 0.8916358048018673
Energy: 1.1831006919221976
Energy: 0.8643447080847515
Energy: 0.8646153568818136
Energy: 0.825563957921012
Energy: 0.9217227165459584
Energy: 0.8938639251546466
Energy: 0.8144118203021583
Energy: 0.8414953210744218
Energy: 0.8301750002366414
Energy: 0.8584504848993202
Energy: 0.8893516240026715
Energy: 0.8292417553865421
Energy: 1.1805999521002855
Energy: 0.9387677926587935
Energy: 0.9813808957849762
Energy: 1.163760830927986
Energy: 0.9385480295725969
Energy: 1.0246919434106458
Energy: 0.8706853491487092
Energy: 0.8691458875310706
Energy: 0.8254097637019078
Energy: 0.8706141147376432
Energy: 0.8074413363458135
Energy: 0.8245049005526959
Energy: 1.4041615053663175
Energy: 0.9591013931950674
Energy: 0.9451633997724304
Energy: 0.9222839809402532
Energy: 0.9606259880098721
Energy: 0.9453810898186641

minimum gb energy = 0.796425634228836 eV
minimum distance =  2.31068424263111 Angstroms
sigma value = 43


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

Energy: 1.4796888607556047
Energy: 1.2465826558564477
Energy: 1.0247638201764324
Energy: 0.9968837685546816
Energy: 1.226191267080821
Energy: 0.994040193353435
Energy: 0.9704853094604514
Energy: 0.9646579452442514
Energy: 0.9736671442455128
Energy: 0.9607525264862015
Energy: 0.9407133073899129
Energy: 0.909395538981153
Energy: 0.9364482506711129
Energy: 1.0018398166193474
Energy: 0.8961569528883409
Energy: 1.1850412416313756
Energy: 1.0007026152753338
Energy: 0.9261648221495477
Energy: 0.9390961938358315
Energy: 0.9554444938841271
Energy: 0.869305834866776
Energy: 0.9266370859272454
Energy: 0.9944284630161928
Energy: 0.9067131796770086
Energy: 0.9488111250717209
Energy: 0.852144581652798
Energy: 0.8755054208773615
Energy: 0.8253955138150872
Energy: 0.8243938560544809
Energy: 0.8253802932776302
Energy: 0.9529070172558063
Energy: 0.8244913386106979
Energy: 0.8259947945357641
Energy: 0.9855798367741329
Energy: 0.8240839029598066
Energy: 1.0506051631839424
Energy: 0.9221324463135091
Energy: 0.8750374811249382
Energy: 0.8256456099822507
Energy: 0.8879947603416043
Energy: 0.8480222875176011
Energy: 0.8486888977500123
Energy: 1.2234356962991464
Energy: 1.1808522151126952
Energy: 1.1070252549187751
Energy: 0.9773124690572507
Energy: 0.9262741775757325
Energy: 0.9244602805324644
Energy: 0.8337867660731916
Energy: 0.9268696175946308
Energy: 0.8743224612508138
Energy: 0.9296946969040567
Energy: 0.9839708792543788
Energy: 0.906533619923643
Energy: 1.2552219741533694
Energy: 0.9958438959654222
Energy: 1.025222675501055
Energy: 1.108768830373721
Energy: 0.9877326410389071
Energy: 0.984764716537151
Energy: 0.9091383357834073
Energy: 0.9675517771379433
Energy: 0.9986729253509401
Energy: 0.8370292265120866
Energy: 0.9971794965699498
Energy: 0.8360554750609055
Energy: 1.2922782204085288
Energy: 0.9280006313968339
Energy: 0.9255900274382822
Energy: 0.9331263110999428
Energy: 0.9686937932421786
Energy: 0.9833246830595881
Energy: 1.2750377728404925
Energy: 0.9257687037859095
Energy: 0.9577751614894466
Energy: 1.0009688633353713
Energy: 0.9254879724950268
Energy: 0.95871853848524
Energy: 0.9148114723904865
Energy: 0.9098228147895433
Energy: 0.9104733650496525
Energy: 0.834635965405207
Energy: 0.908231060144847
Energy: 0.96738370766292
Energy: 0.9206208651468468
Energy: 1.0688145010856542
Energy: 1.0694895841217202
Energy: 0.8386678844996236
Energy: 1.0353465383309288
Energy: 1.0722872866895585
Energy: 0.934010180145517
Energy: 0.9538632713723256
Energy: 0.8976509418981711
Energy: 0.8731293145979702
Energy: 0.9640206142203677
Energy: 0.8339841660122361
Energy: 0.9220676506840463
Energy: 1.0162955550494044
Energy: 0.9835247587864546
Energy: 0.8775820809242538
Energy: 1.0489222556775415
Energy: 0.8758733333993018
Energy: 1.0812996703885767
Energy: 0.9765249760795283
Energy: 0.996155410939238
Energy: 0.9305766237846731
Energy: 0.9780916138449319
Energy: 0.8767031659321772
Energy: 1.4054440602277194
Energy: 0.879911120105912
Energy: 0.8773473760694405
Energy: 0.8937510562687717
Energy: 0.9470700734769092
Energy: 0.9293066606785627
Energy: 1.3809014585366324
Energy: 0.8760472737839718
Energy: 0.8765992551390437
Energy: 0.9860190464640172
Energy: 0.9750756796445902
Energy: 0.9305652605861072
Energy: 1.0978470639694762
Energy: 0.9719579291875854
Energy: 0.969629334448312
Energy: 0.9532495206852886
Energy: 0.9834775176996609
Energy: 0.9294986682906735
Energy: 1.122754062401509
Energy: 0.9644868033804685
Energy: 0.9947544456981391
Energy: 1.0694400445170147
Energy: 0.9675672714209652
Energy: 1.066229341380744
Energy: 1.0710804120609156
Energy: 0.9539868828281592
Energy: 0.9894614107414915
Energy: 1.0477347245035233
Energy: 0.9612411903486227
Energy: 0.9672761867147389
Energy: 1.1449251093843278
Energy: 1.09197656820455
Energy: 1.0557866675151182
Energy: 0.9858265994774793
Energy: 1.127638325505772
Energy: 1.0274521431656662
Energy: 1.0632613205059536
Energy: 0.8783559403760733
Energy: 0.8568827728795372
Energy: 1.0015595677043
Energy: 0.8768666185691528
Energy: 0.836352879669461
Energy: 1.027809804832391
Energy: 0.8345748986132986
Energy: 0.8351678632824103
Energy: 0.9083997791406456
Energy: 0.834619567665566
Energy: 0.886689858991833
Energy: 1.061080705457778
Energy: 0.8352347668655457
Energy: 1.0132177327806569
Energy: 0.9086673014129707
Energy: 1.0932304264016033
Energy: 0.8369954006942528
Energy: 0.946611738779271
Energy: 0.9187233418968666
Energy: 0.9196602051172105
Energy: 0.926560708237342
Energy: 0.9534573499088075
Energy: 0.9082035902434454
Energy: 1.0838244689795147
Energy: 0.9297930559332548
Energy: 0.9829291449287599
Energy: 1.2086406903860565
Energy: 0.9553211421645738
Energy: 0.9837955319944511
Energy: 1.2774844525941158
Energy: 0.9968083950685698
Energy: 0.9242769368684836
Energy: 1.0612674192099343
Energy: 0.9277200640993262
Energy: 0.9072790345425741
Energy: 1.4740322198870712
Energy: 1.1386069806017929
Energy: 1.0045337659749232
Energy: 0.9640583295877886
Energy: 1.2076989069328106
Energy: 1.005039619371823

minimum gb energy = 0.8240839029598066 eV
minimum distance =  2.26267489319207 Angstroms
sigma value = 57


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

Energy: 1.1532713805176797
Energy: 1.4411547318136353
Energy: 0.985996730019786
Energy: 1.0341320010710826
Energy: 1.4409901238515193
Energy: 0.9890587688969243
Energy: 0.9685662993413622
Energy: 0.917153684776069
Energy: 0.8659883472631341
Energy: 0.894935995163363
Energy: 0.91772224969269
Energy: 0.8920125264498637
Energy: 0.9350540168353892
Energy: 1.0384083878989165
Energy: 0.9429604626232784
Energy: 1.001505591886192
Energy: 1.0367433364539682
Energy: 0.9173091213589339
Energy: 0.8329998849131119
Energy: 0.9018853756387224
Energy: 0.7894188596540058
Energy: 0.8548745725373307
Energy: 0.8494928708173209
Energy: 0.8298145706118626
Energy: 0.9348948052324072
Energy: 0.9658272580967993
Energy: 0.8359500939411394
Energy: 0.9292586587742133
Energy: 0.8915690157709122
Energy: 0.8382522611854542
Energy: 1.0890881472680705
Energy: 0.8265682189245044
Energy: 0.8441879640707932
Energy: 1.0476083910789968
Energy: 0.8315048795499006
Energy: 0.9645989553389502
Energy: 0.9799588598515188
Energy: 0.8297519081814695
Energy: 0.8300268860450843
Energy: 0.8895139919200759
Energy: 0.8729478986496751
Energy: 0.8302884014840245
Energy: 0.9561907145471173
Energy: 1.0958244579844636
Energy: 1.0992470093181506
Energy: 1.044199512590038
Energy: 1.0205856352677465
Energy: 1.003665168233683
Energy: 0.898045118268183
Energy: 0.9236131999803496
Energy: 0.9155462909514241
Energy: 0.8825100982549179
Energy: 0.9140399319862028
Energy: 0.9876972518167991
Energy: 1.0723753947571975
Energy: 1.0258195007516429
Energy: 1.005535130472136
Energy: 1.081310176832972
Energy: 1.0244661708536127
Energy: 1.0057862023615232
Energy: 1.22998566689011
Energy: 0.9382291434690694
Energy: 0.9369353109777957
Energy: 1.0005354395398685
Energy: 0.8898272693902443
Energy: 0.878358637892626
Energy: 0.8355910966868481
Energy: 0.9113048218612776
Energy: 0.9170516561448284
Energy: 0.7951338974187117
Energy: 0.9108979329103845
Energy: 0.9113287279110772
Energy: 1.4619071802711034
Energy: 0.9129837935547208
Energy: 0.9625025256512468
Energy: 0.859537826470052
Energy: 0.8865211378599898
Energy: 0.9631146880160035
Energy: 1.0560293553565039
Energy: 0.8513424290052763
Energy: 0.9164777526202316
Energy: 0.9131275604979512
Energy: 0.9138448656459741
Energy: 0.8301575125826082
Energy: 0.919910379033713
Energy: 1.0309994799113182
Energy: 1.0316178360725705
Energy: 0.8891526201148272
Energy: 1.0448996561584771
Energy: 1.0316653390015695
Energy: 0.9300475887361832
Energy: 0.8244985825492791
Energy: 0.8873060245720932
Energy: 0.9314409094482373
Energy: 0.8913574397508389
Energy: 0.8736010818148765
Energy: 0.9550140910711221
Energy: 1.0383349357673997
Energy: 1.0347049984345693
Energy: 0.8278050109148918
Energy: 1.0482494400836668
Energy: 0.8410178836032677
Energy: 1.0781285203759317
Energy: 0.82886637799947
Energy: 0.8257695107295389
Energy: 1.020791333629495
Energy: 0.92707506355247
Energy: 0.8780095404343154
Energy: 0.9190069782199982
Energy: 0.9059690550897015
Energy: 0.8795227046795574
Energy: 0.8992937323839808
Energy: 0.9064364442628764
Energy: 0.9495699009200249
Energy: 1.2582191119058903
Energy: 1.0027903803447709
Energy: 1.0021192719346692
Energy: 0.9357248240226231
Energy: 1.0035494990561762
Energy: 0.9151645581137869
Energy: 1.1082132750601437
Energy: 0.9348465019685405
Energy: 0.8836621245931153
Energy: 0.8903344199469768
Energy: 0.8966712717225329
Energy: 0.8298269981868355
Energy: 1.1222762756473625
Energy: 1.009543380392447
Energy: 1.00967653893876
Energy: 1.061047822212446
Energy: 1.0100401259304372
Energy: 1.011828152456787
Energy: 1.2369739901626426
Energy: 0.9028649017993371
Energy: 0.9185519476361348
Energy: 0.8792529596275948
Energy: 0.9208373197954652
Energy: 0.9362723886481114
Energy: 1.4628058301571925
Energy: 1.0205606711597215
Energy: 0.9638285799969991
Energy: 0.8615545159896995
Energy: 1.0190429787275332
Energy: 0.9632618037475358

minimum gb energy = 0.7894188596540058 eV
minimum distance =  2.29053045575126 Angstroms
sigma value = 17


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

Energy: 1.1371391649856346
Energy: 0.8793377526404901
Energy: 0.9480444072554024
Energy: 0.7525277883870256
Energy: 0.9401187872528657
Energy: 1.0151744837601242
Energy: 1.08268199172119
Energy: 0.8571040183450329
Energy: 0.8593804298527943
Energy: 0.8682575086212744
Energy: 0.882803868317147
Energy: 0.8579296025435769
Energy: 1.0817575469034066
Energy: 0.7928167583608645
Energy: 0.8882145010928394
Energy: 0.9361366090829937
Energy: 0.9606014857076615
Energy: 0.8704302868600026
Energy: 0.8970731118766557
Energy: 0.837644424136721
Energy: 0.8368228239086164
Energy: 0.8828576417966167
Energy: 0.7458382878132453
Energy: 0.8791756476191941
Energy: 0.8918550690092252
Energy: 0.7412455279020883
Energy: 0.8807489855781486
Energy: 0.8886449520114088
Energy: 0.8333840872130232
Energy: 0.787538554494831
Energy: 1.0730450191814591
Energy: 0.8056019206523655
Energy: 0.8063351506359406
Energy: 0.8403356496233816
Energy: 0.8047899829874862
Energy: 0.8528172865102301
Energy: 1.056647755335786
Energy: 0.8019051656616664
Energy: 0.8011238865564754
Energy: 0.8790443603677812
Energy: 0.8053576121768594
Energy: 0.7672482762855823
Energy: 1.0500818499033884
Energy: 0.8281426313671029
Energy: 0.9198823937426723
Energy: 0.930421037338685
Energy: 0.8289110662468456
Energy: 0.9179996783770181
Energy: 0.8058936307114578
Energy: 0.7167950790213863
Energy: 0.7799464932839637
Energy: 0.8033710823147026
Energy: 0.931305055856746
Energy: 0.8017808975040455
Energy: 0.835567245099501
Energy: 0.7097062467148513
Energy: 0.729362382787896
Energy: 0.8049702475607665
Energy: 0.70829999476381
Energy: 0.7594023196904822
Energy: 1.0196297682549023
Energy: 0.8955474185411545
Energy: 0.7333443437309234
Energy: 0.8325256236622773
Energy: 0.8851474014302294
Energy: 0.7335892846442544
Energy: 1.106744056677656
Energy: 0.8812873151581516
Energy: 0.8810970715708903
Energy: 1.024090401420814
Energy: 0.889303184211145
Energy: 0.8778601107925033
Energy: 1.0759251072409342
Energy: 0.9340082971322484
Energy: 0.9339099740840958
Energy: 0.8334302527139774
Energy: 0.9349531679035716
Energy: 0.8351868097721221
Energy: 0.9913139257644688
Energy: 0.8636703669496004
Energy: 0.8480447608206426
Energy: 0.8496132420834722
Energy: 0.8683119664205212
Energy: 0.8581728637809861
Energy: 1.0244377203806803
Energy: 0.8239700218832838
Energy: 0.8897324794109722
Energy: 0.9285496459639068
Energy: 0.7974925771599067
Energy: 0.8872116568267677
Energy: 1.0850613557540798
Energy: 0.8631983646400176
Energy: 0.8514477074858207
Energy: 0.9470042937215286
Energy: 0.8823460112496189
Energy: 0.8573100211814922
Energy: 1.1695657418563459
Energy: 0.9346752075807249
Energy: 0.9416605521020761
Energy: 0.9863345915737485
Energy: 0.9467685793059315
Energy: 0.948425072983835

minimum gb energy = 0.70829999476381 eV
minimum distance =  2.27770989518284 Angstroms
sigma value = 17


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

Energy: 1.1384636493449778
Energy: 1.0774826143385097
Energy: 0.7895566708494632
Energy: 0.6969334503900784
Energy: 1.217835336892826
Energy: 0.7227709990206759
Energy: 0.9992608453787638
Energy: 0.8588093803554852
Energy: 0.7793203737154838
Energy: 0.8404338634938485
Energy: 0.8826621484785458
Energy: 0.7895679096847917
Energy: 1.0085711974477507
Energy: 0.68499001685352
Energy: 0.7037800712445902
Energy: 0.8861045243320043
Energy: 0.7460921604360858
Energy: 0.7948637803253347
Energy: 0.8484115469607529
Energy: 0.6829106619800887
Energy: 0.7154084595538961
Energy: 0.8411136036744121
Energy: 0.6811150447214348
Energy: 0.7702318579104082
Energy: 0.8696063221922797
Energy: 0.7684999974610875
Energy: 0.7720622663917907
Energy: 0.8422463972063184
Energy: 0.7631210161528214
Energy: 0.6708237846302109
Energy: 1.0707991525257095
Energy: 0.7464488387669895
Energy: 0.7667893143172251
Energy: 0.6373251969350326
Energy: 0.7438687458494753
Energy: 0.8094613714459123
Energy: 0.9548227706526754
Energy: 0.7545572822229539
Energy: 0.7459832020265956
Energy: 0.7804405694924936
Energy: 0.7493059582639777
Energy: 0.6404152990870373
Energy: 0.9306438776209465
Energy: 0.6163187327993968
Energy: 0.7840491503302738
Energy: 0.8349328718642257
Energy: 0.9468700605024268
Energy: 0.8191022898569337
Energy: 0.7164936530577418
Energy: 0.6411770244586559
Energy: 0.640866697532733
Energy: 0.7174189665486073
Energy: 0.6249538366436934
Energy: 0.7151971855622667
Energy: 0.734284112090911
Energy: 0.6174910495373321
Energy: 0.6182422848877905
Energy: 0.7172264014817541
Energy: 0.6200211257091104
Energy: 0.6197585528502384
Energy: 0.9648294647878616
Energy: 0.7158813861416442
Energy: 0.6384086388150036
Energy: 0.8173735544420151
Energy: 0.7127591223947931
Energy: 0.6402358608628906
Energy: 0.9658754652652926
Energy: 0.7199330223211968
Energy: 0.7140136617719706
Energy: 0.7960370437717473
Energy: 0.7195088067846654
Energy: 0.6966917153532672
Energy: 0.9821237940710431
Energy: 0.8288204710725303
Energy: 0.8240770326817701
Energy: 0.9769890117937253
Energy: 0.8313291780084229
Energy: 0.8182121602147001
Energy: 0.749927838318964
Energy: 0.6396836392113722
Energy: 0.6401952250644096
Energy: 0.7474079859244138
Energy: 0.6405061641052544
Energy: 0.7484343203131147
Energy: 0.7798153175263358
Energy: 0.8670169755303746
Energy: 0.8614330445660375
Energy: 0.7456750851613563
Energy: 0.7592017584126779
Energy: 0.7226111677796212
Energy: 0.9358613747392125
Energy: 0.8522936529393362
Energy: 0.6607793513588198
Energy: 0.6603229036810578
Energy: 0.8421655401315217
Energy: 0.6836779638632932
Energy: 1.1306073619676882
Energy: 0.8357171040775117
Energy: 0.8347873962741166
Energy: 0.6791459284894286
Energy: 0.8441902519494665
Energy: 0.6825436109950725
Energy: 1.084360407563202
Energy: 0.8889229709520157
Energy: 0.8129681644017094
Energy: 0.773594475528006
Energy: 0.8686696817434849
Energy: 0.7169079426431861
Energy: 0.9678850535661518
Energy: 0.8201600101872297
Energy: 0.8212584178443587
Energy: 0.910425752328819
Energy: 0.6742453132352729
Energy: 0.766905469251402
Energy: 0.9993274864184853
Energy: 0.8015412331132854
Energy: 0.8571255666437932
Energy: 0.8674063621650493
Energy: 0.8549580625672519
Energy: 0.8654825672327275
Energy: 0.992280708754282
Energy: 0.8204338669444564
Energy: 0.8010372483741174
Energy: 0.8787525614871108
Energy: 0.8271891300369602
Energy: 0.7921735122351243
Energy: 1.1660446937292477
Energy: 0.8686344203387322
Energy: 0.8969031920567211
Energy: 0.8991968813098229
Energy: 0.8700738720533472
Energy: 0.7883265165601344
Energy: 0.9379011624277979
Energy: 0.8919942579549373
Energy: 0.8860717805707788
Energy: 0.8563105225132936
Energy: 0.8814788494680766
Energy: 0.9007195330296839
Energy: 0.9902978774654654
Energy: 0.6654179094959867
Energy: 0.8114289241715462
Energy: 0.8759440167674595
Energy: 0.8649529207914207
Energy: 0.8077138615412843
Energy: 0.8577900393519219
Energy: 0.6489683179995488
Energy: 0.6954358916892781
Energy: 0.8159458015306753
Energy: 0.6467676163902077
Energy: 0.8089899732124973
Energy: 0.886625474920083
Energy: 0.7143457296984747
Energy: 0.7149057908901835
Energy: 0.8362312377196731
Energy: 0.71102638893415
Energy: 0.7180207854524941
Energy: 1.0683042451917901
Energy: 0.8416086318169357
Energy: 0.850536150540002
Energy: 0.6333403784020689
Energy: 0.8449916591930245
Energy: 0.8335442578957143
Energy: 0.9141354905223206
Energy: 0.751217223888745
Energy: 0.7424388378584035
Energy: 0.9436323210548999
Energy: 0.74860027214731
Energy: 0.7435537157691084
Energy: 0.9328624792452185
Energy: 0.6942860397595422
Energy: 0.629648209621237
Energy: 0.8286606503034295
Energy: 0.7456256839228309
Energy: 0.8179868445985358
Energy: 0.7249660865719071
Energy: 0.6236340969900085
Energy: 0.6293243667561305
Energy: 0.7327393345087354
Energy: 0.9439468627192868
Energy: 0.6460026085968201
Energy: 0.7311621912799382
Energy: 0.6345887393052045
Energy: 0.6360157345053933
Energy: 0.7239394094215584
Energy: 0.6353021207921575
Energy: 0.6827010698611025
Energy: 0.9653834011846006
Energy: 0.641655882108687
Energy: 0.8110984266500301
Energy: 0.8141377612035958
Energy: 0.7400290790352491
Energy: 0.8186272268391181
Energy: 0.9584513968493075
Energy: 0.7211042430779683
Energy: 0.7133206089413664
Energy: 0.9300399141684095
Energy: 0.7175207422736868
Energy: 0.7141628016351025
Energy: 1.0340252090348951
Energy: 0.7312987778008321
Energy: 0.7343040847912101
Energy: 0.7278508547148052
Energy: 0.7326590013182136
Energy: 0.6455763222186088
Energy: 0.7762935578068899
Energy: 0.7418274169681841
Energy: 0.6465230367465391
Energy: 0.7564688542720908
Energy: 0.8204061392753431
Energy: 0.6475294816097937
Energy: 0.7564155527592165
Energy: 0.6471523823949625
Energy: 0.6593182818645356
Energy: 0.7557068272649148
Energy: 0.9673121611591455
Energy: 0.7151602523842794
Energy: 0.938427738310465
Energy: 0.6602184956596912
Energy: 0.6794478733409456
Energy: 0.8425211321915689
Energy: 0.8337798292691676
Energy: 0.6920249905284275
Energy: 0.9801580645387785
Energy: 0.8653402383342481
Energy: 0.8590046667805724
Energy: 0.7139485343689264
Energy: 0.840369185114759
Energy: 0.8016672868741941
Energy: 1.1366066230864025
Energy: 0.8650647811724829
Energy: 0.803645291644013
Energy: 0.6606428841908848
Energy: 0.8646516563918744
Energy: 0.800971033507369
Energy: 0.9658679166636253
Energy: 0.8054034400586878
Energy: 0.8302953265362475
Energy: 0.8810512250975316
Energy: 0.838585793850169
Energy: 0.6667277709608411
Energy: 0.9313230048137021
Energy: 0.6701561976373382
Energy: 0.7811519036099072
Energy: 0.8711296197506095
Energy: 0.7935466687536513
Energy: 0.820651489775922
Energy: 1.0051508870049797
Energy: 0.7554553725942201
Energy: 0.8152955271850266
Energy: 0.8766978999624512
Energy: 0.8198952099288365
Energy: 0.8142706554317961
Energy: 0.9390744551851571
Energy: 0.8919146668011805
Energy: 0.8869983273389316
Energy: 0.8564604912248457
Energy: 0.886219876199833
Energy: 0.9336452483782344

minimum gb energy = 0.6163187327993968 eV
minimum distance =  2.28109224522453 Angstroms
sigma value = 57


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

Energy: 1.0750732992066883
Energy: 0.8187649549864033
Energy: 0.7584992576803077
Energy: 0.6362341221071675
Energy: 1.0034893559659344
Energy: 0.7732762014950502
Energy: 0.9375827902335832
Energy: 0.7902157095618891
Energy: 0.8337536355668008
Energy: 0.7966040933969175
Energy: 0.8500984614582238
Energy: 0.7599625103256694
Energy: 0.9219574075282054
Energy: 0.6097099595656303
Energy: 0.7058763505408547
Energy: 0.8730164759823386
Energy: 0.6213190864333903
Energy: 0.6709756236733785
Energy: 0.8325953145963788
Energy: 0.6065053868622501
Energy: 0.6473316678243007
Energy: 0.7503265459536973
Energy: 0.6014830719767936
Energy: 0.7562954174879288
Energy: 0.8220784592264926
Energy: 0.7214884565564372
Energy: 0.6238592474923724
Energy: 0.7964605376104192
Energy: 0.7199136163929601
Energy: 0.6153882812501416
Energy: 0.9895840287151878
Energy: 0.7268315513313439
Energy: 0.7402373158771218
Energy: 0.7413725744582078
Energy: 0.7303040579389561
Energy: 0.7494034145855607
Energy: 0.8618546058158584
Energy: 0.7139759834593201
Energy: 0.7202555976741158
Energy: 0.7219101706166517
Energy: 0.7112299403361322
Energy: 0.5848953742803874
Energy: 0.8528925806473532
Energy: 0.7453544616732961
Energy: 0.7056589373041882
Energy: 0.764287006314858
Energy: 0.583573412342405
Energy: 0.7578782911312422
Energy: 0.6710901235796616
Energy: 0.5861448454585672
Energy: 0.5858713425754724
Energy: 0.6710962587775996
Energy: 0.7296895797919964
Energy: 0.6850449638263025
Energy: 0.6906163596504653
Energy: 0.7660651566162331
Energy: 0.7660409818551005
Energy: 0.6861358240436606
Energy: 0.7647562390531294
Energy: 0.5792276787520508
Energy: 0.922731554884987
Energy: 0.6664091650554471
Energy: 0.6665322872093358
Energy: 0.8822213121964483
Energy: 0.6631874673071889
Energy: 0.64304606481528
Energy: 0.9087848345288596
Energy: 0.6617108856188881
Energy: 0.6661193181148712
Energy: 0.8569968217472363
Energy: 0.6591484018706718
Energy: 0.5694988246994169
Energy: 0.9073561554054485
Energy: 0.7425805260140651
Energy: 0.7202602907038725
Energy: 0.7298977086735353
Energy: 0.7828129598148751
Energy: 0.7284270722555185
Energy: 0.6526119411826807
Energy: 0.5756628464295809
Energy: 0.5623339082672645
Energy: 0.6525294112725859
Energy: 0.8492017348123099
Energy: 0.6722149902871465
Energy: 0.6705986390561013
Energy: 0.7922485732437617
Energy: 0.5827162312480051
Energy: 0.6705323615508595
Energy: 0.813044398878349
Energy: 0.7355036077477775
Energy: 0.8703469961289233
Energy: 0.6794586818343924
Energy: 0.6491307698063148
Energy: 0.8389581641175676
Energy: 0.6794283382565429
Energy: 0.6471893931786337
Energy: 0.9537052140841101
Energy: 0.6785656850582192
Energy: 0.682606092418373
Energy: 0.888363945759021
Energy: 0.6736115946397911
Energy: 0.5876323378128921
Energy: 0.7071476968471238
Energy: 0.7618679244147983
Energy: 0.7691084669024771
Energy: 0.8830688876026939
Energy: 0.7612310339125675
Energy: 0.7489466943140848
Energy: 0.7241074941593614
Energy: 0.5834396763916051
Energy: 0.707603779668182
Energy: 0.7076078449454384
Energy: 0.589676578395068
Energy: 0.7178985722733161
Energy: 0.8720942284852827
Energy: 0.7481935299015271
Energy: 0.7588264484567522
Energy: 0.7876499213619556
Energy: 0.5919126162839254
Energy: 0.6987212089412332
Energy: 0.868600572292013
Energy: 0.7957453193102801
Energy: 0.6709636115484584
Energy: 0.6209582184167499
Energy: 0.793330714589274
Energy: 0.6221114843775111
Energy: 1.0276904272247318
Energy: 0.8044403423895365
Energy: 0.7285046734664171
Energy: 0.9392492823332381
Energy: 0.8040148004301839
Energy: 0.6403743652581748
Energy: 0.8376788327430662
Energy: 0.7713320466377018
Energy: 0.7601319283129488
Energy: 0.6776521438562293
Energy: 0.7664366555179207
Energy: 0.7524755663915165
Energy: 0.8960688354995217
Energy: 0.6724622922334799
Energy: 0.6161568201822387
Energy: 0.7789664563761898
Energy: 0.6752846845907673
Energy: 0.617258966897749
Energy: 0.9349289336846143
Energy: 0.6382204650824261
Energy: 0.7845772140234518
Energy: 0.8359965372920214
Energy: 0.639626211197864
Energy: 0.7641064646393942
Energy: 0.9194985761132551
Energy: 0.7449593209522256
Energy: 0.7382058833325615
Energy: 0.8474304831455031
Energy: 0.792777569188435
Energy: 0.7554321629809984
Energy: 1.0761530721863932
Energy: 0.8234917600365737
Energy: 0.7812683708887705
Energy: 0.6172753618817147
Energy: 0.8591655247040355
Energy: 0.7493297225515734

minimum gb energy = 0.5623339082672645 eV
minimum distance =  2.28989949556147 Angstroms
sigma value = 43


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

Energy: 0.963171441448585
Energy: 0.691981327421776
Energy: 0.639987049003236
Energy: 0.5400182290107551
Energy: 0.690972338749852
Energy: 0.6047030039434212
Energy: 0.7599472712119694
Energy: 0.5457538616025694
Energy: 0.483969983955776
Energy: 0.6587180623920711
Energy: 0.6398669340275112
Energy: 0.541549728655146
Energy: 0.7506769095479909
Energy: 0.5026719236077074
Energy: 0.5655086534637034
Energy: 0.6446909767622901
Energy: 0.5065339687328014
Energy: 0.5685257530714469
Energy: 0.6544030244797575
Energy: 0.49981350225484245
Energy: 0.5064384717861496
Energy: 0.6231078871333552
Energy: 0.5034803909378498
Energy: 0.6162752144690349
Energy: 0.6886105445332257
Energy: 0.4851680462843891
Energy: 0.4843590969389091
Energy: 0.6060113080331866
Energy: 0.49012657296582907
Energy: 0.5488955515506404
Energy: 0.9033975430319753
Energy: 0.5976344078629189
Energy: 0.5290383489005828
Energy: 0.5557101116944777
Energy: 0.5892054575043488
Energy: 0.5295781340724814
Energy: 0.6892308009919793
Energy: 0.5930374747075055
Energy: 0.5955727684098309
Energy: 0.5386099731128885
Energy: 0.5922692018094242
Energy: 0.5247708780025714
Energy: 0.7233415154426933
Energy: 0.5793041282873049
Energy: 0.537796582824697
Energy: 0.529199097676686
Energy: 0.5390855089378346
Energy: 0.5454563656205057
Energy: 0.5786130508676319
Energy: 0.4644203151188626
Energy: 0.518401238547837
Energy: 0.5659081144570894
Energy: 0.6978847448045964
Energy: 0.5656924224496186
Energy: 0.5692618585105866
Energy: 0.6395197563772551
Energy: 0.5209183566950132
Energy: 0.5609414754590127
Energy: 0.6307133312909745
Energy: 0.4614637043883816
Energy: 0.8414238365851782
Energy: 0.5461866839542946
Energy: 0.5457196665675907
Energy: 0.5590437409230841
Energy: 0.5474101979979733
Energy: 0.4995376369183477
Energy: 0.7386771128810622
Energy: 0.5489339187781641
Energy: 0.5474943018916
Energy: 0.5786217665228157
Energy: 0.546605933768468
Energy: 0.4677312939716291
Energy: 0.7335183895621862
Energy: 0.5935163283360753
Energy: 0.560929731453581
Energy: 0.5396214247605885
Energy: 0.5434447504707621
Energy: 0.6041837134724825
Energy: 0.5473980814210998
Energy: 0.5946787267425785
Energy: 0.5424800229161405
Energy: 0.5492769976390981
Energy: 0.6991501554672162
Energy: 0.5421131764409579
Energy: 0.5387381490358588
Energy: 0.6534302399194395
Energy: 0.6537257565730811
Energy: 0.5388251888787366
Energy: 0.6503943308821487
Energy: 0.5843061255546516
Energy: 0.8060042076189299
Energy: 0.5373716513007576
Energy: 0.5389935167562205
Energy: 0.5067963207468688
Energy: 0.539611486485768
Energy: 0.46408877912815805
Energy: 0.788559050409798
Energy: 0.5370912408697014
Energy: 0.5381013230359033
Energy: 0.5381838174026256
Energy: 0.5481481740001848
Energy: 0.4611147919848091
Energy: 0.7502035212646866
Energy: 0.6243234420358166
Energy: 0.5888694474061043
Energy: 0.5482132418373146
Energy: 0.6078290380583391
Energy: 0.5893631427982491
Energy: 0.5394944204238163
Energy: 0.7085032222512542
Energy: 0.5387576737553802
Energy: 0.541551708480342
Energy: 0.6957847028638023
Energy: 0.5393881522655574
Energy: 0.7624240084371917
Energy: 0.5940849405031967
Energy: 0.5944161702052115
Energy: 0.5604854975483922
Energy: 0.5290291258976386
Energy: 0.5923947985755763
Energy: 0.7573357182308422
Energy: 0.5408846052337596
Energy: 0.5424982579341234
Energy: 0.5466537482801106
Energy: 0.5412213272700764
Energy: 0.4719299680884306
Energy: 0.8460682544127361
Energy: 0.539924420451868
Energy: 0.5405449769484635
Energy: 0.5000305463928312
Energy: 0.5412258050530314
Energy: 0.46298653473088824
Energy: 0.5459581479171322
Energy: 0.6421452287427439
Energy: 0.6051400035905771
Energy: 0.5468808618988084
Energy: 0.636674272061888
Energy: 0.5920592330112919
Energy: 0.5604897617078705
Energy: 0.5851904353401467
Energy: 0.549032246979147
Energy: 0.5598375737041712
Energy: 0.6980081088899484
Energy: 0.55007366305382
Energy: 0.7200473617630166
Energy: 0.5984621182001421
Energy: 0.46317450207178495
Energy: 0.5625355419382523
Energy: 0.5473892970695811
Energy: 0.5671838767551997
Energy: 0.7234398755101961
Energy: 0.5639242440951514
Energy: 0.5635091159244189
Energy: 0.6118931051662111
Energy: 0.5643816239857583
Energy: 0.4674720883292949
Energy: 0.8714049652239179
Energy: 0.5623567536238261
Energy: 0.562481044701705
Energy: 0.5703405283039424
Energy: 0.5744443045140475
Energy: 0.5422221494129094
Energy: 0.5971968642348305
Energy: 0.6334915699247913
Energy: 0.47361610394946185
Energy: 0.5916581499937953
Energy: 0.6354979608569815
Energy: 0.4664557456414589
Energy: 0.5875857111251053
Energy: 0.48605598715303905
Energy: 0.5962757697092679
Energy: 0.5957328821197563
Energy: 0.6928867625991711
Energy: 0.5940628392203876
Energy: 0.7088305369888068
Energy: 0.5480882267904407
Energy: 0.5532288890624621
Energy: 0.5055572378584772
Energy: 0.5231247923640997
Energy: 0.5554447381878197
Energy: 0.7079064021733569
Energy: 0.6092752855365269
Energy: 0.5409404690334052
Energy: 0.5444574981715781
Energy: 0.548622302311469
Energy: 0.5952307481759037
Energy: 0.9365568195479308
Energy: 0.6514021628696849
Energy: 0.6221450264084031
Energy: 0.5653624693668252
Energy: 0.6491755788719341
Energy: 0.5404396472957896
Energy: 0.6810946386050221
Energy: 0.6182176128380039
Energy: 0.596697293632779
Energy: 0.5592718115651084
Energy: 0.6152659080366555
Energy: 0.6620293103005602
Energy: 0.702915695664604
Energy: 0.5636884755980309
Energy: 0.5697743468485833
Energy: 0.644180215089826
Energy: 0.5582359299605806
Energy: 0.6578363434429788
Energy: 0.7430921542744134
Energy: 0.5474808022186435
Energy: 0.6328881614240355
Energy: 0.7106352029033868
Energy: 0.5662215621274374
Energy: 0.6351283175814383
Energy: 0.7183300605212215
Energy: 0.6541123091405757
Energy: 0.609867557809048
Energy: 0.6429433217768336
Energy: 0.6139156674733928
Energy: 0.6493267127469399

minimum gb energy = 0.4611147919848091 eV
minimum distance =  2.26047881826896 Angstroms
sigma value = 81


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

Energy: 0.017617272704507254
Energy: 0.33961830974493823
Energy: 0.33293694150942105
Energy: 0.02007386064148109
Energy: 0.34089240873121246
Energy: 0.01844028425236264
Energy: 0.28833969206007304
Energy: 0.018879452593682303
Energy: 0.01874867480630184
Energy: 0.19496330334664663
Energy: 0.021284367108329795
Energy: 0.02152631247744565
Energy: 0.2820436193640213
Energy: 0.018302324175836923
Energy: 0.018407026501487376
Energy: 0.1963948067074048
Energy: 0.018388404616168055
Energy: 0.1940724221544492
Energy: 0.020824872982046366
Energy: 0.018341782201564943
Energy: 0.3344724570120792
Energy: 0.02167691542199531
Energy: 0.01836616090194579
Energy: 0.19501265130877155
Energy: 0.2784783770254416
Energy: 0.1959620159982306
Energy: 0.19443726960105526
Energy: 0.19467373018954232
Energy: 0.19533946841593944
Energy: 0.19503524098965694
Energy: 0.018988715753847033
Energy: 0.18748017116139906
Energy: 0.3334369095150479
Energy: 0.020592760061005164
Energy: 0.019415021909840506
Energy: 0.018318983759294815
Energy: 0.2841350206587949
Energy: 0.018945468558578055
Energy: 0.019096001776494467
Energy: 0.19499207412784098
Energy: 0.023559889842290405
Energy: 0.01938136402804518
Energy: 0.2853539383787285
Energy: 0.018396118057944583
Energy: 0.018469955936859673
Energy: 0.1955557340579689
Energy: 0.018293991030768564
Energy: 0.18501511999360218
Energy: 0.019430977733775723
Energy: 0.3334760982823828
Energy: 0.33433645530973954
Energy: 0.02191402600055173
Energy: 0.018323658895322514
Energy: 0.19323229082699567
Energy: 0.018599562277918275
Energy: 0.19661822078598334
Energy: 0.1941412613859405
Energy: 0.3355882771032515
Energy: 0.1957258629309699
Energy: 0.1948317215209539

minimum gb energy = 0.017617272704507254 eV
minimum distance =  2.33547323100762 Angstroms
sigma value = 3


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

Energy: 0.9131366079182383
Energy: 0.7094732997610025
Energy: 0.6652453843567535
Energy: 0.841531377284733
Energy: 0.7094691153415447
Energy: 0.6840889535388309
Energy: 0.6919984912902464
Energy: 0.6904245456736425
Energy: 0.6869136655182285
Energy: 0.675486862449647
Energy: 0.6939861153978875
Energy: 0.6696893339505037
Energy: 0.7097526498742756
Energy: 0.6558794315012869
Energy: 0.6563654746193329
Energy: 0.7085470846996076
Energy: 0.6021312986303089
Energy: 0.6518815749511426
Energy: 0.6688119116146435
Energy: 0.6507253738696179
Energy: 0.6446578330274948
Energy: 0.6701969762371136
Energy: 0.6334703465367559
Energy: 0.6480493634563047
Energy: 0.6741335072383171
Energy: 0.6969347680883803
Energy: 0.6922537193974427
Energy: 0.6753908241872892
Energy: 0.7065220826448017
Energy: 0.6838577632231364
Energy: 0.8954248661688416
Energy: 0.6611614618753876
Energy: 0.6477470608064817
Energy: 0.8225495152872074
Energy: 0.6605834545543463
Energy: 0.6874620424181709
Energy: 0.6646093549152382
Energy: 0.680461110090312
Energy: 0.6804333380136715
Energy: 0.6538964850558477
Energy: 0.6929046253999148
Energy: 0.6773409756268653
Energy: 0.7227690170561203
Energy: 0.6531458360179012
Energy: 0.6460425139560918
Energy: 0.7142560902140584
Energy: 0.6231037274591312
Energy: 0.6353686149601926
Energy: 0.6315006858997779
Energy: 0.6742406320546266
Energy: 0.7060968690652154
Energy: 0.6306217297943704
Energy: 0.6337292888140987
Energy: 0.6715747841022764
Energy: 0.6411062589537071
Energy: 0.6285370596381884
Energy: 0.6219224594630794
Energy: 0.6436390427706521
Energy: 0.6435521014151245
Energy: 0.639201385794593
Energy: 0.831364602130137
Energy: 0.6452419280486901
Energy: 0.654401187459604
Energy: 0.6361573194033975
Energy: 0.6564351491394159
Energy: 0.6351840128773489
Energy: 0.588848338552513
Energy: 0.6445202177488103
Energy: 0.6541898108386626
Energy: 0.5915376520635943
Energy: 0.6332630365773885
Energy: 0.5815943012803312
Energy: 0.638011573761634
Energy: 0.6234566440645438
Energy: 0.6409186598193389
Energy: 0.6407104439635635
Energy: 0.6168770856766468
Energy: 0.6294133253270813
Energy: 0.6825578800307844
Energy: 0.652303199266157
Energy: 0.6615477141249246
Energy: 0.6889136266406722
Energy: 0.6327044570013582
Energy: 0.661568627953453
Energy: 0.6244959027497178
Energy: 0.5819141423622652
Energy: 0.5828128050177657
Energy: 0.6215803173632011
Energy: 0.5837656059931611
Energy: 0.5756676041902195
Energy: 0.6224896544927645
Energy: 0.6392754300681369
Energy: 0.6335319227609798
Energy: 0.6306588749247581
Energy: 0.6543074482561129
Energy: 0.625331571857705
Energy: 0.5665564689562296
Energy: 0.6328337764053042
Energy: 0.6318314742907449
Energy: 0.5580554235110067
Energy: 0.6086839830791778
Energy: 0.56595853761407
Energy: 0.5817186349508531
Energy: 0.6292952534323492
Energy: 0.6301483780075909
Energy: 0.5863311323834769
Energy: 0.7199280032710452
Energy: 0.6284643515770622
Energy: 0.7324234844480613
Energy: 0.6561529070814224
Energy: 0.6326445071217475
Energy: 0.7171196245300214
Energy: 0.6606876339004986
Energy: 0.6164161662465989
Energy: 0.6351097812250558
Energy: 0.5745225295160956
Energy: 0.5657500270719921
Energy: 0.6292974697316207
Energy: 0.569146589767101
Energy: 0.5667551882426188
Energy: 0.7013579096118746
Energy: 0.6388138055093092
Energy: 0.6336162451346853
Energy: 0.6414813327462621
Energy: 0.6405784831543331
Energy: 0.6222329915237994
Energy: 0.5823760171919206
Energy: 0.6381433654547678
Energy: 0.6377197585329101
Energy: 0.5833706561459525
Energy: 0.6151234592708584
Energy: 0.5758798670636699
Energy: 0.5793478281557145
Energy: 0.6879241547861792
Energy: 0.6915133669531782
Energy: 0.5815111268030954
Energy: 0.6901017439390522
Energy: 0.6855960634220183
Energy: 0.809618522777701
Energy: 0.6286397785687202
Energy: 0.715629780151525
Energy: 0.7641363179474379
Energy: 0.6325336868967519
Energy: 0.6896184623516727
Energy: 0.6507756022584276
Energy: 0.5939181782179423
Energy: 0.5866060939536
Energy: 0.63136735437145
Energy: 0.5909470146340228
Energy: 0.58242594967011
Energy: 0.7102893345105675
Energy: 0.6511712654598313
Energy: 0.654727323035838
Energy: 0.6305312042704284
Energy: 0.6283155579996094
Energy: 0.6585603332009773
Energy: 0.6480734684187504
Energy: 0.6619168786320888
Energy: 0.6616728222146782
Energy: 0.6436714348838187
Energy: 0.6297306032616141
Energy: 0.620606679933488
Energy: 0.6690521408734698
Energy: 0.628186423880562
Energy: 0.6775317376611789
Energy: 0.6387944014044171
Energy: 0.6312775590762196
Energy: 0.6733289147950198
Energy: 0.8520512975680503
Energy: 0.6905421276801518
Energy: 0.6927721373787349
Energy: 0.6414531197051667
Energy: 0.6878159182392929
Energy: 0.7140028225871315
Energy: 0.6861788826882756
Energy: 0.6616838153570419
Energy: 0.6600979058829493
Energy: 0.6874450638981122
Energy: 0.6670593146434229
Energy: 0.6886909551060015
Energy: 0.6685210570004604
Energy: 0.6520684433271408
Energy: 0.6433326770548247
Energy: 0.6593515944376862
Energy: 0.6331771575429738
Energy: 0.6270795920876261
Energy: 0.7132174501677839
Energy: 0.6518221534504169
Energy: 0.661024126807095
Energy: 0.6887947620682718
Energy: 0.6352067092549712
Energy: 0.6711212521422265
Energy: 0.6518850606810721
Energy: 0.6964979910199869
Energy: 0.6767602091208546
Energy: 0.6360444949827676
Energy: 0.699360421345658
Energy: 0.6475457788345294

minimum gb energy = 0.5580554235110067 eV
minimum distance =  2.25921762496943 Angstroms
sigma value = 67


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

Energy: 1.0502551557876414
Energy: 0.8280550427999814
Energy: 0.825978218638555
Energy: 0.9747222830404121
Energy: 0.8276179466616627
Energy: 0.8129464726006104
Energy: 0.869219864636872
Energy: 0.8696522076025384
Energy: 0.8747262079280949
Energy: 0.844419005894957
Energy: 0.8687492537119539
Energy: 0.8082576626677894
Energy: 0.8891829046528602
Energy: 0.8627774781799473
Energy: 0.8488389132553307
Energy: 0.9109146100756174
Energy: 0.8340214089169284
Energy: 0.859658974782739
Energy: 0.9022279540945161
Energy: 0.7980072888726216
Energy: 0.8977060200116252
Energy: 0.9014962956268041
Energy: 0.8463133601334566
Energy: 0.8343635489391331
Energy: 0.8510710855807506
Energy: 0.887974385312227
Energy: 0.8612849590390165
Energy: 0.8375261490902872
Energy: 0.8708853073434614
Energy: 0.852803386815669
Energy: 0.9942709976828226
Energy: 0.8039785716434242
Energy: 0.8471374354021488
Energy: 0.8088268090811505
Energy: 0.8082402887647964
Energy: 0.8566863117929149
Energy: 0.8145951674981079
Energy: 0.8189975040141241
Energy: 0.8206090143185307
Energy: 0.8057780480424387
Energy: 0.8093629810662863
Energy: 0.8337586282962692
Energy: 0.8706719658513308
Energy: 0.805480490604874
Energy: 0.8125884891346765
Energy: 0.8587225966500548
Energy: 0.8240246642850195
Energy: 0.8700764867396005
Energy: 0.8211338587873734
Energy: 0.8524277928697769
Energy: 0.8539880067698553
Energy: 0.7852938976616045
Energy: 0.8553246964980233
Energy: 0.8473259035615267
Energy: 0.794514926208595
Energy: 0.7862937695524199
Energy: 0.7909168642368354
Energy: 0.7859201933175347
Energy: 0.7821079812964379
Energy: 0.7932972004052656
Energy: 0.7664785157626596
Energy: 0.7923078592767605
Energy: 0.8028394223718289
Energy: 0.8118875446779342
Energy: 0.7979113090493669
Energy: 0.8020202909229504
Energy: 0.7450782126674935
Energy: 0.7814244567724259
Energy: 0.8252573712163277
Energy: 0.7486937685212839
Energy: 0.7984329874165269
Energy: 0.7497660191421026
Energy: 0.7633287497936423
Energy: 0.8057088892971394
Energy: 0.8051915472481508
Energy: 0.7635117015858933
Energy: 0.795784726821363
Energy: 0.7550462465450465
Energy: 0.828620090047267
Energy: 0.774646334614482
Energy: 0.7802627101362857
Energy: 0.8145445227499395
Energy: 0.8337052350775089
Energy: 0.7825125961476881
Energy: 0.7763036817374044
Energy: 0.746328391816349
Energy: 0.7508946250613702
Energy: 0.7787570947316534
Energy: 0.7409534400920251
Energy: 0.7610256138400793
Energy: 0.8246996569340981
Energy: 0.7962435675145465
Energy: 0.7972448153452069
Energy: 0.7883831657878234
Energy: 0.8026736007457026
Energy: 0.8049213677067949
Energy: 0.8073946661109707
Energy: 0.7992139867844461
Energy: 0.7835297358971103
Energy: 0.7916534217992545
Energy: 0.7939640607963039
Energy: 0.8192486395058065
Energy: 0.7713065345568547
Energy: 0.8204629624056374
Energy: 0.8217873031705256
Energy: 0.7823439031784007
Energy: 0.7773203078266127
Energy: 0.8762063452305335
Energy: 0.9377957621998076
Energy: 0.8029269887895613
Energy: 0.8853627118103673
Energy: 0.8168756337489979
Energy: 0.7923972506033196
Energy: 0.8345571542639119
Energy: 0.8381631076965315
Energy: 0.8287426136428689
Energy: 0.8310392508011747
Energy: 0.839733117237279
Energy: 0.8169440252235004
Energy: 0.8271651231761163
Energy: 0.8515331094631577
Energy: 0.8783395327051685
Energy: 0.8882995186977701
Energy: 0.8395795908662217
Energy: 0.8071252216545501
Energy: 0.8464697566785843
Energy: 0.8998669929818853
Energy: 0.8302759325313706
Energy: 0.8964873741658917
Energy: 0.881707473135115
Energy: 0.816437196147988
Energy: 0.8182443150751082
Energy: 0.843203719824941
Energy: 0.8567399346374699
Energy: 0.8490751576728777
Energy: 0.8268963388211212
Energy: 0.8388999516759501
Energy: 0.8580502116807794

minimum gb energy = 0.7409534400920251 eV
minimum distance =  2.25889955579914 Angstroms
sigma value = 33


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

Energy: 1.2142320129239608
Energy: 0.953865647859562
Energy: 1.0622204033681388
Energy: 1.117205873273245
Energy: 0.9903750390595787
Energy: 0.9344775157019328
Energy: 0.9733179190219206
Energy: 0.9964661242926629
Energy: 0.9972482706079037
Energy: 0.9783177371635432
Energy: 0.9928723431888331
Energy: 0.952981512615332
Energy: 1.0247888898482855
Energy: 0.9356726934251234
Energy: 0.9498216689690251
Energy: 1.0215140843609647
Energy: 1.013479592496454
Energy: 0.9450508516485873
Energy: 0.9890644706053576
Energy: 0.9375017557643327
Energy: 1.0051575749440738
Energy: 0.9958316504417087
Energy: 0.9876371635212
Energy: 0.9732846416023423
Energy: 0.9448632555234322
Energy: 0.9730609871051564
Energy: 0.988201235262178
Energy: 0.9488606375522238
Energy: 0.991531606610849
Energy: 0.9964939963662526
Energy: 1.1325618205638655
Energy: 0.9749167330182346
Energy: 0.925019344461829
Energy: 0.9736170732160533
Energy: 0.9732755111062349
Energy: 0.9391573609195268
Energy: 0.9115616651277654
Energy: 0.9378007919303816
Energy: 0.9397715493563992
Energy: 0.917394508163232
Energy: 0.896529800589382
Energy: 0.902193777565143
Energy: 0.9600747922856622
Energy: 0.9401239268634376
Energy: 0.9376711467513245
Energy: 0.9538676729863598
Energy: 0.9328682671171052
Energy: 0.9353724253723636
Energy: 0.908290320953264
Energy: 0.9317205566220178
Energy: 0.9317165747555809
Energy: 0.9018518331039681
Energy: 0.9284900614991627
Energy: 0.93361969126662
Energy: 0.8798938784338242
Energy: 0.8718430769516005
Energy: 0.8698572854026194
Energy: 0.8727152997379081
Energy: 0.864409989916761
Energy: 0.8589569727286355
Energy: 0.984264474347211
Energy: 0.9100275702797019
Energy: 0.8918699012899812
Energy: 0.8963474943233145
Energy: 0.9101651644918157
Energy: 0.8996324751442982
Energy: 0.8869392688377226
Energy: 0.9339706345745228
Energy: 0.933731553624664
Energy: 0.8881677218518937
Energy: 0.9144625523067442
Energy: 0.8634608646085277
Energy: 0.8666515165999479
Energy: 0.9295595212853017
Energy: 0.9626123754845186
Energy: 0.8649493869907434
Energy: 0.8725351370069584
Energy: 0.8603082837597243
Energy: 1.0612987259750746
Energy: 0.9067801187571871
Energy: 0.9270015889307232
Energy: 0.8987204785587044
Energy: 0.9754595093176622
Energy: 0.900635898481395
Energy: 0.8974477923211643
Energy: 0.911334978077266
Energy: 0.9159076124031359
Energy: 0.8990827071883052
Energy: 0.9350787568821491
Energy: 0.9306424167122261
Energy: 0.9689744423672906
Energy: 0.9664297040336856
Energy: 0.9682315508560317
Energy: 0.9490125945858138
Energy: 0.9433712230445258
Energy: 0.9454564923426705
Energy: 1.0275003448659652
Energy: 0.9586669082924721
Energy: 0.9402148205629358
Energy: 1.028533533534973
Energy: 0.9606790051653199
Energy: 0.9541819653169473
Energy: 0.9801182608622925
Energy: 0.9486259606444727
Energy: 0.942739403577755
Energy: 0.9879785348214704
Energy: 0.9474737801843799
Energy: 0.960425331782312
Energy: 1.2292987515148817
Energy: 0.956333709498307
Energy: 0.9411071760508315
Energy: 0.875753609173609
Energy: 0.9545222902602981
Energy: 0.9478429832845298
Energy: 0.9446065093873475
Energy: 1.0060518525459463
Energy: 1.0109417802794947
Energy: 0.9346821935903082
Energy: 0.9919275727160732
Energy: 0.9524766357240855
Energy: 1.0032343825031593
Energy: 0.9384738483456728
Energy: 0.9491152863425226
Energy: 1.0192540984107243
Energy: 0.9404887724803578
Energy: 0.920912694876384
Energy: 0.9992080969115541
Energy: 0.9502090349070031
Energy: 0.9735511762225965
Energy: 0.998638687289949
Energy: 0.94560398151996
Energy: 0.9473969102904934
Energy: 0.9451010542924545
Energy: 0.973337644120909
Energy: 0.9676004336852729
Energy: 0.9500457376197862
Energy: 0.9838837557891864
Energy: 1.0127054517968637
Energy: 1.132361756181075
Energy: 1.0256555779951
Energy: 0.9695014415513158
Energy: 0.9673612473320459
Energy: 1.0251631461655473
Energy: 0.9589252309637494
Energy: 0.8978263808591647
Energy: 0.9378205550960276
Energy: 0.9407067090217722
Energy: 0.9141204550223185
Energy: 0.9257505116838824
Energy: 0.9513704703891385
Energy: 0.952453949839192
Energy: 0.9408530412598277
Energy: 0.9499928360438656
Energy: 0.9396254970598842
Energy: 0.9289294923629775
Energy: 0.9362218337137883
Energy: 0.9049839234117455
Energy: 0.9358464504202856
Energy: 0.9349047380832843
Energy: 0.9012431298150911
Energy: 0.9281019741486015
Energy: 0.9233921688614171
Energy: 0.8804248365911023
Energy: 0.8722351425566567
Energy: 0.8707768178572569
Energy: 0.8759272281520508
Energy: 0.8656087859235756
Energy: 0.8644705237271291
Energy: 1.0113944178853007
Energy: 0.9505062456074367
Energy: 0.9212084684867995
Energy: 0.9686365936741371
Energy: 0.9262461545454149
Energy: 0.9044825714004344
Energy: 0.8842723073633988
Energy: 0.9347892926062364
Energy: 0.9341490247856438
Energy: 0.8850088087936231
Energy: 0.9373294615365881
Energy: 0.9519592657650361
Energy: 0.8666524050450236
Energy: 0.9116228268271145
Energy: 0.9299573481003784
Energy: 0.863020105838441
Energy: 0.8792014489523982
Energy: 0.8655125527207193
Energy: 0.8675262195935399
Energy: 0.904307285619305
Energy: 0.9243349948735969
Energy: 0.901850685167422
Energy: 0.8882435650574967
Energy: 0.9021246336030406
Energy: 0.8681143197746536
Energy: 0.9120936484231474
Energy: 0.9157367164451583
Energy: 0.890641267673101
Energy: 0.9368399353348031
Energy: 0.9375059848798988
Energy: 0.9597651356545365
Energy: 0.9904640850202004
Energy: 0.9474454322176127
Energy: 0.9507405981620508
Energy: 0.9434465628282879
Energy: 0.940053195568755
Energy: 1.0217941384667564
Energy: 0.9595718257908805
Energy: 0.9407806743745453
Energy: 1.0285694991804994
Energy: 0.949248342489334
Energy: 0.9387659857508878
Energy: 0.9743520763514324
Energy: 0.9472613437621159
Energy: 0.9430827406677595
Energy: 0.9761656429424909
Energy: 0.9504715569343339
Energy: 0.9734895809482987
Energy: 1.2288913973432236
Energy: 0.9621631687264378
Energy: 0.9425313530566004
Energy: 0.9687476688344144
Energy: 0.9574677034932684
Energy: 0.9305733237865492

minimum gb energy = 0.8589569727286355 eV
minimum distance =  2.27714206389438 Angstroms
sigma value = 41


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

Energy: 1.2303705588086882
Energy: 1.1478832534250265
Energy: 1.1569070645142256
Energy: 1.1709039982332283
Energy: 1.145953350404172
Energy: 1.1704912503279399
Energy: 1.1562621537005653
Energy: 1.1752389611132419
Energy: 1.057353978366389
Energy: 1.1522403334170979
Energy: 1.182953954259827
Energy: 1.1326305233675282
Energy: 1.2067275977508356
Energy: 1.0893391276382245
Energy: 1.0753507215138294
Energy: 1.1337644640206972
Energy: 1.0714730500908094
Energy: 1.080860019575447
Energy: 1.1367924392789661
Energy: 1.06662242464343
Energy: 1.0641503698944779
Energy: 1.105552190102318
Energy: 1.1525922447405124
Energy: 1.0710507509071965
Energy: 1.0938611673134708
Energy: 1.1345304381893606
Energy: 1.1364221891769875
Energy: 1.1043715653764288
Energy: 1.1343946904700986
Energy: 1.0954717405338528
Energy: 1.1851474209573396
Energy: 1.1015190787424978
Energy: 1.0677676519915151
Energy: 1.1181862253787913
Energy: 1.0987071771854409
Energy: 1.0534919469986948
Energy: 1.055680040413426
Energy: 1.0759106448931552
Energy: 1.1273871342078412
Energy: 1.0506076931802109
Energy: 1.075533098419908
Energy: 1.059295801402721
Energy: 1.0408289012642078
Energy: 1.0640853245814643
Energy: 1.0454835481310225
Energy: 1.0421163573352221
Energy: 1.054909191940644
Energy: 1.051235819237245
Energy: 1.075799268696071
Energy: 1.0498583628348959
Energy: 1.0707864393283864
Energy: 1.033251347078405
Energy: 1.0518344182199335
Energy: 1.0535106301142705
Energy: 1.0486364286245387
Energy: 1.0487105402708292
Energy: 1.0530679935429996
Energy: 1.0322071399909787
Energy: 1.046586752029678
Energy: 1.045293455991324
Energy: 1.1165695216570077
Energy: 1.0506494028510107
Energy: 1.0796172339241383
Energy: 1.0910174002222164
Energy: 1.031460261683337
Energy: 1.066448765575776
Energy: 1.1797301095433972
Energy: 1.1233318928917704
Energy: 1.1684829518185509
Energy: 1.1597422035991858
Energy: 1.0705412278298578
Energy: 1.0776204078300478
Energy: 1.1329909368897302
Energy: 1.0926416417366895
Energy: 1.0909516111496635
Energy: 1.1267872727954864
Energy: 1.1208026349460818
Energy: 1.1266900985192974
Energy: 1.2388041421863016
Energy: 1.1052287336532514
Energy: 1.0996877660592255
Energy: 1.0899189160241614
Energy: 1.0644431785747468
Energy: 1.1164984135808742

minimum gb energy = 1.031460261683337 eV
minimum distance =  2.2483156542515 Angstroms
sigma value = 11


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

Energy: 1.6835552619623761
Energy: 1.251486901500615
Energy: 1.2745078770098774
Energy: 1.2772388800134835
Energy: 1.2707948211802056
Energy: 1.2679782931124413
Energy: 1.2948981456169808
Energy: 1.1918989708256096
Energy: 1.1820813321171972
Energy: 1.2238869134731476
Energy: 1.1801463421947282
Energy: 1.2365896689900056
Energy: 1.3122255746676497
Energy: 1.181336389426814
Energy: 1.2205554068298392
Energy: 1.2793009541981308
Energy: 1.1830107516964123
Energy: 1.2592018112213297
Energy: 1.175535079870427
Energy: 1.1672689583872335
Energy: 1.2114824308383998
Energy: 1.1783029815541084
Energy: 1.161040489657956
Energy: 1.1511372305495955
Energy: 1.1823251494693885
Energy: 1.1301555135248746
Energy: 1.144024409470787
Energy: 1.159002160211789
Energy: 1.1322231115485977
Energy: 1.1349050776660183
Energy: 1.1610660873634464
Energy: 1.1444951795246825
Energy: 1.1429443936109995
Energy: 1.1935837307649706
Energy: 1.1424875489522175
Energy: 1.1916662305056276
Energy: 1.142875667743681
Energy: 1.2166756177082687
Energy: 1.1992937295279151
Energy: 1.1420160792887126
Energy: 1.233197616872359
Energy: 1.169830863571591
Energy: 1.1724646067868074
Energy: 1.208913201189696
Energy: 1.2452319205312263
Energy: 1.1435517727786983
Energy: 1.1765197614926937
Energy: 1.1334936897256795
Energy: 1.1850987670351965
Energy: 1.1710355741382628
Energy: 1.1529439614738377
Energy: 1.18214294823273
Energy: 1.1678791322683986
Energy: 1.208513250110949
Energy: 1.184985832876824
Energy: 1.261914502452768
Energy: 1.2750305414482703
Energy: 1.189007700203131
Energy: 1.2603975226209496
Energy: 1.3104885719498018
Energy: 1.1950566513158254
Energy: 1.1877404946063381
Energy: 1.2724369738581591
Energy: 1.1955298882186602
Energy: 1.2015951926738655
Energy: 1.1501100932135864
Energy: 1.153256560950628
Energy: 1.2386019834094608
Energy: 1.241942388080361
Energy: 1.1426527252774277
Energy: 1.2580987540983755
Energy: 1.2405008688112855
Energy: 1.1829900847151227
Energy: 1.2619500075533445
Energy: 1.2241941853359217
Energy: 1.1810616708934594
Energy: 1.2670658949889566
Energy: 1.1550712674701429
Energy: 1.1546073576451834
Energy: 1.2855011075653702
Energy: 1.2951588803525151
Energy: 1.2064346364022471
Energy: 1.2844370987188376
Energy: 1.2851970091609377
Energy: 1.1943071214063588
Energy: 1.1678104590058311
Energy: 1.1898787619831366
Energy: 1.1840438722304112
Energy: 1.1757205150239767
Energy: 1.1708102681233143
Energy: 1.1390767451478219
Energy: 1.1731584587766413
Energy: 1.1650117719833268
Energy: 1.1373782105249841
Energy: 1.1621750593105817
Energy: 1.1502223525617608
Energy: 1.142056612079387
Energy: 1.2046776925200329
Energy: 1.201236823668186
Energy: 1.1408199666765644
Energy: 1.2010029836324088
Energy: 1.1889518272360249
Energy: 1.374772882638145
Energy: 1.1465102903406146
Energy: 1.1722171751949764
Energy: 1.2460177763888824
Energy: 1.1837728837937818
Energy: 1.2299238574570803
Energy: 1.1821567267805726
Energy: 1.177086623127554
Energy: 1.1222742641298211
Energy: 1.1770328747991194
Energy: 1.1768564301548485
Energy: 1.2518489277261866
Energy: 1.1435870358185225
Energy: 1.165187345363752
Energy: 1.234627317869011
Energy: 1.1396298239924858
Energy: 1.206322073747381
Energy: 1.1537491382975888
Energy: 1.174208119704951
Energy: 1.166689806843874
Energy: 1.1163869235675283
Energy: 1.2144544396313361
Energy: 1.2076058238112308
Energy: 1.1519794658555347
Energy: 1.2291392813284554
Energy: 1.1562242202556636
Energy: 1.155495784801765
Energy: 1.1927743470032413
Energy: 1.1742766108251057
Energy: 1.1008436590159971
Energy: 1.1918096525762856
Energy: 1.1436753374998456
Energy: 1.168798452739858
Energy: 1.2215563002308194
Energy: 1.1430030215088196
Energy: 1.18023505110718
Energy: 1.2041302962385905
Energy: 1.137970091391407
Energy: 1.1650169398075505
Energy: 1.172483270994409
Energy: 1.1668740973579736
Energy: 1.1290531777452815
Energy: 1.2371624489901398
Energy: 1.250855440867937
Energy: 1.2440502764272805
Energy: 1.1823092617534385
Energy: 1.2212636877909087
Energy: 1.166678936346346
Energy: 1.1693991083471904
Energy: 1.1423269518917816
Energy: 1.186117224642004
Energy: 1.1589099863261374
Energy: 1.141971142049183
Energy: 1.195968528812688
Energy: 1.2691112038580112
Energy: 1.1441085041918335
Energy: 1.1493200041485088
Energy: 1.1702907734457741
Energy: 1.1433637592055732
Energy: 1.1431887535822836
Energy: 1.1774896698240693
Energy: 1.1743591685728145
Energy: 1.243979137971301
Energy: 1.1922066578648465
Energy: 1.1847199235071182
Energy: 1.1929236672981782
Energy: 1.3245211784555688
Energy: 1.26392638606133
Energy: 1.292544061169901
Energy: 1.30852569474587
Energy: 1.1666514295199455
Energy: 1.2570365081671504
Energy: 1.2984410653642282
Energy: 1.1582352789657746
Energy: 1.154444941496866
Energy: 1.265967152754977
Energy: 1.1747719020961445
Energy: 1.1474088878965258
Energy: 1.6041820052552271
Energy: 1.1443177700544587
Energy: 1.1758854570987234
Energy: 1.152947268182744
Energy: 1.1316867621808016
Energy: 1.1779338410091167

minimum gb energy = 1.1008436590159971 eV
minimum distance =  2.19552869635174 Angstroms
sigma value = 57


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

Energy: 1.558475398074985
Energy: 1.217164284827703
Energy: 1.2476082851805983
Energy: 1.5461502200059107
Energy: 1.8529325762098467
Energy: 1.2539545220430248
Energy: 1.2892234827415312
Energy: 1.2277731020529254
Energy: 1.2323855456407347
Energy: 1.1801386346193545
Energy: 1.2277179755793632
Energy: 1.2135394941344653
Energy: 1.2721503808048356
Energy: 1.1867968187248588
Energy: 1.177237236885613
Energy: 1.2647336382116063
Energy: 1.1587283517992675
Energy: 1.2703275608568618
Energy: 1.1891364627238061
Energy: 1.2293573464818346
Energy: 1.2308317089527891
Energy: 1.1602661829727268
Energy: 1.1764784364078664
Energy: 1.22999929014497
Energy: 1.2026068728605508
Energy: 1.256761165072246
Energy: 1.2320601516643779
Energy: 1.2033164086361798
Energy: 1.256487830370239
Energy: 1.1844245455613598
Energy: 1.2813982755920488
Energy: 1.1991625283732794
Energy: 1.2034221441910007
Energy: 1.2306264746350588
Energy: 1.1957498383322314
Energy: 1.198113525565989
Energy: 1.1933472813952744
Energy: 1.2243004485043218
Energy: 1.2258958134786224
Energy: 1.1946814168352062
Energy: 1.2231277256249404
Energy: 1.2534377146642328
Energy: 1.2279024780919308
Energy: 1.2035504381541546
Energy: 1.2606316310985912
Energy: 1.2251649801780795
Energy: 1.2036351739461424
Energy: 1.2295422555217235
Energy: 1.1628907705432425
Energy: 1.1808037338244783
Energy: 1.2830288585894711
Energy: 1.1642389324425966
Energy: 1.17876089038083
Energy: 1.279856549748243
Energy: 1.1649699161993492
Energy: 1.254721603208796
Energy: 1.28269059147935
Energy: 1.1630007630871302
Energy: 1.251103023806216
Energy: 1.280381087544635
Energy: 1.2279726680120011
Energy: 1.207687392107089
Energy: 1.2295423884839674
Energy: 1.2246936585493737
Energy: 1.1811317380787696
Energy: 1.2132104999776856
Energy: 1.2004640629890564
Energy: 1.2619683942403375
Energy: 1.2370106705817283
Energy: 1.1992152267078557
Energy: 1.2616488127790615
Energy: 1.2101816858909817
Energy: 1.2014187715184836
Energy: 1.230059169792983
Energy: 1.2063386221308283
Energy: 1.1953822719395564
Energy: 1.2291287624861977
Energy: 1.1626927154816604
Energy: 1.414832166159171
Energy: 1.246905521305861
Energy: 1.2035957359263483
Energy: 1.2289363780281979
Energy: 1.2437673057543164
Energy: 1.2017299193841102
Energy: 1.2042758265014286
Energy: 1.1867095709699065
Energy: 1.2566856483405626
Energy: 1.1775246024225177
Energy: 1.1811777566159298
Energy: 1.2356566221313166
Energy: 1.2717356995610725
Energy: 1.2099320196320775
Energy: 1.2281472118137842
Energy: 1.2700790111820517
Energy: 1.2045988292548095
Energy: 1.221119070753657
Energy: 1.1632044868671214
Energy: 1.1802464822128609
Energy: 1.1833130498165665
Energy: 1.1452023396180706
Energy: 1.1783246122733155
Energy: 1.2134949901688212

minimum gb energy = 1.1452023396180706 eV
minimum distance =  2.20687512848713 Angstroms
sigma value = 9


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

Energy: 1.9854390650527718
Energy: 1.312630279351902
Energy: 1.130347117292622
Energy: 1.5283270644196991
Energy: 1.2455280087502565
Energy: 1.758364216124239
Energy: 1.358753967953247
Energy: 1.1781620672387465
Energy: 1.1883200994240215
Energy: 1.3198359319536632
Energy: 1.202808929591389
Energy: 1.2091573095046937
Energy: 1.2753514114813878
Energy: 1.2916398723390345
Energy: 1.1747271059982645
Energy: 1.2747369472387917
Energy: 1.2884362032416496
Energy: 1.2679550006599238
Energy: 1.1719926326870762
Energy: 1.2113884661099523
Energy: 1.217909934000405
Energy: 1.1719144498194882
Energy: 1.1908909357287685
Energy: 1.169892391627164
Energy: 1.2780422782400278
Energy: 1.180796813456071
Energy: 1.1831426626485557
Energy: 1.2707537177524795
Energy: 1.1777328820705555
Energy: 1.1659492183118623
Energy: 1.1917614338396652
Energy: 1.2057349042347998
Energy: 1.1710445481464211
Energy: 1.1745909886754058
Energy: 1.2230489266078992
Energy: 1.170319442498628
Energy: 1.200576549724792
Energy: 1.392805847055749
Energy: 1.1519899777616198
Energy: 1.127582762077791
Energy: 1.2606812647373815
Energy: 1.2060463578318756
Energy: 1.2550544517529734
Energy: 1.1676050976737111
Energy: 1.1715752629667708
Energy: 1.2453050726674564
Energy: 1.207223984718758
Energy: 1.1449463755740683
Energy: 1.2004159597453812
Energy: 1.2382495683174162
Energy: 1.2008440182263496
Energy: 1.1775896130570624
Energy: 1.2510686678700969
Energy: 1.2162686139645171
Energy: 1.2004293436666613
Energy: 1.1408486872069292
Energy: 1.132902244946695
Energy: 1.1899210126340067
Energy: 1.1392726773649902
Energy: 1.1374154832361143
Energy: 1.2730922577020278
Energy: 1.2097402629003664
Energy: 1.1910856859720869
Energy: 1.226264149065053
Energy: 1.2039046698333165
Energy: 1.1482034850211544
Energy: 1.2116322750755983
Energy: 1.2712645263446358
Energy: 1.298266282761268
Energy: 1.1995306637486267
Energy: 1.2710254067153204
Energy: 1.204331501853299
Energy: 1.4074300168022873
Energy: 1.1930243707307955
Energy: 1.1796437400806143
Energy: 1.3354955458561772
Energy: 1.1906814749182755
Energy: 1.241053323740785
Energy: 1.1735998012637778
Energy: 1.2812677591040769
Energy: 1.2696498770888578
Energy: 1.1742861677396415
Energy: 1.2756333790681231
Energy: 1.2480057042079158
Energy: 1.2242840209292423
Energy: 1.1711719312921
Energy: 1.1505138493677376
Energy: 1.2063160303248615
Energy: 1.18974341272457
Energy: 1.179541934234446
Energy: 1.1679539411215882
Energy: 1.2478178003460711
Energy: 1.1381483277257545
Energy: 1.1599015414632912
Energy: 1.1748136372435278
Energy: 1.1636586194167036
Energy: 1.188697809718673
Energy: 1.2534301097230849
Energy: 1.2354154735749372
Energy: 1.1805757081904515
Energy: 1.2640012019207942
Energy: 1.2205172450597495
Energy: 1.3900944566015192
Energy: 1.2134660330815854
Energy: 1.2123263873761518
Energy: 1.2910111193558085
Energy: 1.2090662673597392
Energy: 1.2092078581870211
Energy: 1.1991955603328392
Energy: 1.2284647528243393
Energy: 1.2307729385837403
Energy: 1.195336605628332
Energy: 1.2026341128298474
Energy: 1.2236111836092523
Energy: 1.254227071001048
Energy: 1.2402691684291536
Energy: 1.1718343038010988
Energy: 1.2319083641654076
Energy: 1.1868030050134326
Energy: 1.229048066174683
Energy: 1.223505331569535
Energy: 1.1632468510119016
Energy: 1.1653205326013065
Energy: 1.2021477865333217
Energy: 1.1654855288781758
Energy: 1.1942835282015158

minimum gb energy = 1.127582762077791 eV
minimum distance =  2.24159807851337 Angstroms
sigma value = 27


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

Energy: 1.3093996949938274
Energy: 1.1284136253934058
Energy: 1.0515497904952442
Energy: 1.1736414112561968
Energy: 1.7348397148756602
Energy: 1.1241032711078056
Energy: 1.272945300847585
Energy: 1.1283119088621276
Energy: 1.1382610709527228
Energy: 1.2009843330615346
Energy: 1.138790730970455
Energy: 1.1316593732560214
Energy: 1.4007664080586226
Energy: 1.2263629524744315
Energy: 1.1216371575169046
Energy: 1.143678030185059
Energy: 1.162015382963456
Energy: 1.24668889214428
Energy: 1.2322842301609074
Energy: 1.2530106081320234
Energy: 1.2324169821674922
Energy: 1.1839075961561418
Energy: 1.1538060682841786
Energy: 1.082512407165917
Energy: 1.1578024438807062
Energy: 1.1200917543010367
Energy: 1.121523204778506
Energy: 1.1572045985574098
Energy: 1.1149957601416454
Energy: 1.1302455321610203
Energy: 1.2388311258013514
Energy: 1.2170547865010632
Energy: 1.2287986319115862
Energy: 1.202785695537875
Energy: 1.1920959262484687
Energy: 1.1996742573272592
Energy: 1.2394426778675756
Energy: 1.1984871624555649
Energy: 1.1237155165756534
Energy: 1.1988633583357158
Energy: 1.1967588300350207
Energy: 1.0548001110263874
Energy: 1.2282190234857777
Energy: 1.062035818898422
Energy: 1.2062783012198988
Energy: 1.205514870483909
Energy: 1.0587835298423942
Energy: 1.1887201213987437
Energy: 1.24220798485442
Energy: 1.2129191213532267
Energy: 1.2146887037349934
Energy: 1.2284833045789831
Energy: 1.2062375224945754
Energy: 1.1723723787113625
Energy: 1.3884732470420917
Energy: 1.198458937616575
Energy: 1.185281685292107
Energy: 1.202882193648275
Energy: 1.194968617567664
Energy: 1.1890024942303121
Energy: 1.2329522427843689
Energy: 1.2131761267403405
Energy: 1.2907350719731052
Energy: 1.2089193883281109
Energy: 1.1436101919534487
Energy: 1.1885542895720196
Energy: 1.2479725273523234
Energy: 1.2995207428491358
Energy: 1.184853609767837
Energy: 1.2178920162495865
Energy: 1.2709152412563203
Energy: 1.1818953302730817
Energy: 1.1742099839108422
Energy: 1.1900838950679091
Energy: 1.0569899567371797
Energy: 1.193720284969661
Energy: 1.1908435854294954
Energy: 1.0586956964952716
Energy: 1.0576148723996275
Energy: 1.2022510173299186
Energy: 1.2037822009268453
Energy: 1.058178939473619
Energy: 1.2156388814419083
Energy: 1.0391675659157182
Energy: 1.2632487765527358
Energy: 1.1932948696181898
Energy: 1.1878948962461995
Energy: 1.2299624024842712
Energy: 1.228105056754471
Energy: 1.1837198497464028
Energy: 1.2246795965406994
Energy: 1.2192410132064684
Energy: 1.1775781441947306
Energy: 1.2097929530970923
Energy: 1.290961932540879
Energy: 1.2230377972320043
Energy: 1.1923654089834066
Energy: 1.2120388634559527
Energy: 1.2044336862465979
Energy: 1.1448734492517696
Energy: 1.2258658300704677
Energy: 1.2211030240788114
Energy: 1.297129912461249
Energy: 1.2199398260577305
Energy: 1.166773520050886
Energy: 1.2541661670195738
Energy: 1.2221668602857254
Energy: 1.1779206203408323
Energy: 1.2109734162631753
Energy: 1.1791567151460602
Energy: 1.1469837796444309
Energy: 1.1903820405531154
Energy: 1.0584170049698227
Energy: 1.0562753625234864
Energy: 1.2470957985905697
Energy: 1.173169860386692
Energy: 1.147370451972368
Energy: 1.2072499843757427
Energy: 1.1720115024029516
Energy: 1.0420984337397796
Energy: 1.3976820207614316
Energy: 1.2007319872738804
Energy: 1.1621778786269226
Energy: 1.224810252208728
Energy: 1.2006176333212026
Energy: 1.175070465533063
Energy: 1.18186195808149
Energy: 1.131497604801883
Energy: 1.1312580452791838
Energy: 1.14118274704009
Energy: 1.1925762831780888
Energy: 1.136462839495707
Energy: 1.372440131427967
Energy: 1.1118457602863425
Energy: 1.2079477082861223
Energy: 1.1301854303771461
Energy: 1.2244247973394315
Energy: 1.2153813747296602
Energy: 1.2605689489969054
Energy: 1.1789440556203654
Energy: 1.1742987887069338
Energy: 1.1340142943365674
Energy: 1.2167094641017917
Energy: 1.0996938725621301
Energy: 1.1477286541339158
Energy: 1.1074271447332238
Energy: 1.1097244972751306
Energy: 1.0588496011929311
Energy: 1.1151689331205923
Energy: 1.1113731923678682

minimum gb energy = 1.0391675659157182 eV
minimum distance =  2.2481820123801 Angstroms
sigma value = 19


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

Energy: 1.3860104835974807
Energy: 1.223608010262754
Energy: 1.206547232492291
Energy: 1.5750829404658822
Energy: 1.1840346687576422
Energy: 1.1212652753013272
Energy: 1.1190233425103426
Energy: 1.0882903295105049
Energy: 1.0748587778112053
Energy: 1.1473975708104531
Energy: 1.0862212090680736
Energy: 1.0841611512061027
Energy: 1.132584420107068
Energy: 1.225028728161538
Energy: 1.2268254688628337
Energy: 1.1018722580620712
Energy: 1.2178032541842152
Energy: 1.089858680508495
Energy: 1.090988119593835
Energy: 1.08285252877142
Energy: 1.105734763276595
Energy: 1.088579749259567
Energy: 1.0844093638712036
Energy: 1.074976446634858
Energy: 1.2015834294557193
Energy: 1.1022998837658704
Energy: 1.101615133498963
Energy: 1.2077415135149323
Energy: 1.103760459553079
Energy: 1.1511006367445655
Energy: 1.0943928983155327
Energy: 1.1360694844440473
Energy: 1.1696158230374762
Energy: 1.089579228968997
Energy: 1.1334511650980093
Energy: 1.0869001023770954
Energy: 1.20756281625564
Energy: 1.2177841826468851
Energy: 1.1154449980556438
Energy: 1.1895322408919682
Energy: 1.254257629227488
Energy: 1.1202176773386803
Energy: 1.0955686512069307
Energy: 1.2026631920168493
Energy: 1.0946161658045654
Energy: 1.0837114005402322
Energy: 1.0952166016419569
Energy: 1.0763190912969993
Energy: 1.21872238377734
Energy: 1.1023881240279076
Energy: 1.0902241747800916
Energy: 1.2083878103993613
Energy: 1.1013548678473073
Energy: 1.1169718028052718
Energy: 1.0684283264542378
Energy: 1.09340242215916
Energy: 1.0956228764983973
Energy: 1.0665383426786486
Energy: 1.1062266369923304
Energy: 1.1024451198674337
Energy: 1.1231132546914444
Energy: 1.2201211035770463
Energy: 1.102354205376014
Energy: 1.0754853006202805
Energy: 1.2276356081150661
Energy: 1.0821566740616508
Energy: 1.221089146168295
Energy: 1.1048987114067839
Energy: 1.1236418257297374
Energy: 1.0956633883674942
Energy: 1.1116937828221123
Energy: 1.1837283145880912
Energy: 1.2630117752874355
Energy: 1.1381739378887799
Energy: 1.1083640886456885
Energy: 1.259817976161899
Energy: 1.1536693722374143
Energy: 1.1347455439355687
Energy: 1.1705929350949629
Energy: 1.0743748750456628
Energy: 1.0763279912991852
Energy: 1.1348722646005658
Energy: 1.0724874651192549
Energy: 1.0754227022343814
Energy: 1.1499780048720532
Energy: 1.2030775805887461
Energy: 1.203902415120038
Energy: 1.0959816273641787
Energy: 1.1772587314764673
Energy: 1.1309635935264069
Energy: 1.164724975186136
Energy: 1.1399689437720881
Energy: 1.1227931814723782
Energy: 1.1027825916140057
Energy: 1.1508092135814942
Energy: 1.1431364387439695
Energy: 1.2391000161372938
Energy: 1.098816157634458
Energy: 1.0964556539504726
Energy: 1.215898453240725
Energy: 1.095319427026549
Energy: 1.0774123095214831
Energy: 1.1447947917266599
Energy: 1.1340948447101815
Energy: 1.112270924823934
Energy: 1.119617295249465
Energy: 1.1320078697880689
Energy: 1.135695058748562
Energy: 1.1495232667279218
Energy: 1.1063602186793873
Energy: 1.1466719557121778
Energy: 1.106415155133928
Energy: 1.1164292863504768
Energy: 1.1082979493764225
Energy: 1.0647364458116189
Energy: 1.1680026373868095
Energy: 1.0796976967229928
Energy: 1.0577000850885518
Energy: 1.0981567171603155
Energy: 1.0640771834342988
Energy: 1.1788060441019352
Energy: 1.100593019462093
Energy: 1.103897421141585
Energy: 1.1906400365720238
Energy: 1.0994377608105874
Energy: 1.1140094472189965
Energy: 1.1743360645539564
Energy: 1.0986639368315954
Energy: 1.0903359959996326
Energy: 1.1603399334386404
Energy: 1.0971910129868554
Energy: 1.1621484760495753
Energy: 1.156849133965373
Energy: 1.1088739143197
Energy: 1.064159659934017
Energy: 1.069051721936803
Energy: 1.1461056129550418
Energy: 1.0756162320139573
Energy: 1.149595071116015
Energy: 1.1172961950706217
Energy: 1.0652602482837599
Energy: 1.1031982184183877
Energy: 1.0901921051968337
Energy: 1.094852274677471
Energy: 1.1224384688206623
Energy: 1.0954655447886823
Energy: 1.0971016790248627
Energy: 1.105621680278035
Energy: 1.096065222320103
Energy: 1.0693159624821924
Energy: 1.2449425347085832
Energy: 1.0647564388417798
Energy: 1.0690763779457366
Energy: 1.2248182153364944
Energy: 1.0634932176602905
Energy: 1.0724282063241153
Energy: 1.121503246066759
Energy: 1.1629832937337499
Energy: 1.1135692278141491
Energy: 1.1014431537907567
Energy: 1.2044234133498177
Energy: 1.0982731056781527
Energy: 1.1268384184102636
Energy: 1.1223660460713498
Energy: 1.1777268485968264
Energy: 1.133779147461904
Energy: 1.1198166001818186
Energy: 1.0756221016127419
Energy: 1.1477107096975399
Energy: 1.1518031834862634
Energy: 1.1490308821337947
Energy: 1.1151665525527956
Energy: 1.1402907094629453
Energy: 1.053730718419021

minimum gb energy = 1.053730718419021 eV
minimum distance =  2.25216082417912 Angstroms
sigma value = 101


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

Energy: 1.8064312033825447
Energy: 1.1243286264003347
Energy: 1.0642718449740804
Energy: 1.7346667011317487
Energy: 1.8538777345058688
Energy: 1.0730194519880092
Energy: 1.13045737147452
Energy: 1.051031719244364
Energy: 1.0382881687493093
Energy: 1.080973949363384
Energy: 1.0513564712997279
Energy: 1.0419927439458823
Energy: 1.1092514764491392
Energy: 1.1704546508722455
Energy: 1.1141068199323965
Energy: 1.0772029348887546
Energy: 1.169901377591143
Energy: 1.0626639458240232
Energy: 1.059126257718171
Energy: 1.033483667504593
Energy: 1.0368247373679549
Energy: 1.0463574994464993
Energy: 1.0422535028683102
Energy: 1.102544366181616
Energy: 1.1486607023639444
Energy: 1.0767514630285506
Energy: 1.0798514342573007
Energy: 1.1571362299583672
Energy: 1.0756672967772862
Energy: 1.0656272878256199
Energy: 1.082750792535838
Energy: 1.1606932912776375
Energy: 1.0948639006155014
Energy: 1.0480024850560963
Energy: 1.0799801720597233
Energy: 1.0930424741072258
Energy: 1.2030856246759138
Energy: 1.1204213654632595
Energy: 1.0426288349479185
Energy: 1.195190485821584
Energy: 1.2001962549874885
Energy: 1.0583748480992228
Energy: 1.0629147630832023
Energy: 1.0969456130141613
Energy: 1.0935589714072218
Energy: 1.0321511046683207
Energy: 1.0901757449335407
Energy: 1.040745992948429
Energy: 1.1574042341552866
Energy: 1.0767454097058125
Energy: 1.0784267417231672
Energy: 1.1552060237291628
Energy: 1.076089113766306
Energy: 1.1772852535393183
Energy: 1.041198781992215
Energy: 1.104066383100202
Energy: 1.0855448449517646
Energy: 1.029763819449273
Energy: 1.0862985435248942
Energy: 1.0928335686248019
Energy: 1.0586386807803254
Energy: 1.048433395749742
Energy: 1.067324225398813
Energy: 1.0382345384972471
Energy: 1.0463467204240784
Energy: 1.054979943033781
Energy: 1.1490364575177057
Energy: 1.104655346554895
Energy: 1.0785549182417837
Energy: 1.1078038157311765
Energy: 1.0977609168257243
Energy: 1.0359881220481413
Energy: 1.1816321599077206
Energy: 1.0757484711229073
Energy: 1.0763247628324772
Energy: 1.1681128937046934
Energy: 1.0735687831103689
Energy: 1.101604195223824
Energy: 1.04336155105584
Energy: 1.0336477677688292
Energy: 1.0340795005104175
Energy: 1.0503880632310068
Energy: 1.0301150790157718
Energy: 1.038188009249834
Energy: 1.1074712020002417
Energy: 1.1507342571937633
Energy: 1.1587279316328527
Energy: 1.0733642650974746
Energy: 1.1516359543544523
Energy: 1.0655382884846396
Energy: 1.2827284044495677
Energy: 1.0503499721531768
Energy: 1.0525762218333143
Energy: 1.1288821955947081
Energy: 1.0470977857753763
Energy: 1.1508123347628894
Energy: 1.1904755310230137
Energy: 1.1010122698120892
Energy: 1.1422173929322839
Energy: 1.170361128224963
Energy: 1.0970422420757113
Energy: 1.0512003882245158
Energy: 1.1613368255007572
Energy: 1.061387622800806
Energy: 1.0469553539592606
Energy: 1.1245438166837773
Energy: 1.060805827263537
Energy: 1.0343129719387196
Energy: 1.11512086291188
Energy: 1.1221716760413478
Energy: 1.1125328649226804
Energy: 1.0757761469992977
Energy: 1.13910139727451
Energy: 1.1166516985757884
Energy: 1.0758860988230428
Energy: 1.080202004090012
Energy: 1.0387236155763249
Energy: 1.0503364384737148
Energy: 1.0806708242414225
Energy: 1.0330386308271424
Energy: 1.1525506299869948
Energy: 1.0483467675252458
Energy: 1.0397230492980232
Energy: 1.158967776624642
Energy: 1.053435496242993
Energy: 1.045331037328827
Energy: 1.0577590233523064
Energy: 1.0761574735823494
Energy: 1.0614010463046255
Energy: 1.0561772908385236
Energy: 1.078977172066091
Energy: 1.090475444530794
Energy: 1.1594255882528994
Energy: 1.0273702994134148
Energy: 1.0361758916920711
Energy: 1.0481803493284423
Energy: 1.1106977948984758
Energy: 1.0562894626611623
Energy: 1.07039934112841
Energy: 1.0837893874419666
Energy: 1.0765780273773422
Energy: 1.0305916703269025
Energy: 1.0892751620639527
Energy: 1.037024593958093
Energy: 1.186188044383944
Energy: 1.0762257761662857
Energy: 1.0691747231449462
Energy: 1.172423084944679
Energy: 1.0760402631213166
Energy: 1.1054958113457276
Energy: 1.162785779282304
Energy: 1.0888860648569605
Energy: 1.0480023233063642
Energy: 1.1594292573283977
Energy: 1.086884594303432
Energy: 1.1021807439085778
Energy: 1.06142779887406
Energy: 1.040146900079621
Energy: 1.0366460995077347
Energy: 1.0345347295656733
Energy: 1.1694105922681992
Energy: 1.0546427144695396
Energy: 1.1299719276735072
Energy: 1.1268687489004223
Energy: 1.0790638673041775
Energy: 1.0988228078043263
Energy: 1.0685634016793584
Energy: 1.0637933859110587
Energy: 1.1516714642301769
Energy: 1.1018370058369928
Energy: 1.1062380439205544
Energy: 1.1428757067657604
Energy: 1.0991603413350262
Energy: 1.0513562425187393
Energy: 1.1474243047485366
Energy: 1.0565221092133672
Energy: 1.0600797854162607
Energy: 1.1411515685681177
Energy: 1.0309240038747558
Energy: 1.0497343669180783
Energy: 1.1413081713743924
Energy: 1.1038692933737417
Energy: 1.1135947440361527
Energy: 1.1018287531658957
Energy: 1.1505029289646702
Energy: 1.0611196329078985
Energy: 1.1736909123289845
Energy: 1.1511069045821507
Energy: 1.1683963905623436
Energy: 1.1138870396641962
Energy: 1.1449787640113291
Energy: 1.0567026876508474
Energy: 1.0558998870453131
Energy: 1.1679334872418607
Energy: 1.0464047399456777
Energy: 1.047037365629965
Energy: 1.1441062400031705
Energy: 1.0321500278176883

minimum gb energy = 1.0273702994134148 eV
minimum distance =  2.25622300663626 Angstroms
sigma value = 33


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

Energy: 0.019179257233477617
Energy: 1.279104584329941
Energy: 0.02039404800361716
Energy: 0.021010647107720173
Energy: 1.2770762346785092
Energy: 0.019784265908744957
Energy: 0.42249315849061625
Energy: 0.14095764394300506
Energy: 0.13978672126368732
Energy: 0.14212579387942353
Energy: 0.14293542575949159
Energy: 0.13931434951902966
Energy: 1.5491740058031562
Energy: 1.2775634158040352
Energy: 1.2747298751802967
Energy: 1.2724824900903602
Energy: 1.2803397943464923
Energy: 1.2742292919496752
Energy: 0.02076531226501696
Energy: 0.14095764394300506
Energy: 0.13978672126416083
Energy: 0.14212579387805566
Energy: 0.1429354257590181
Energy: 0.13931434951902966

minimum gb energy = 0.019179257233477617 eV
minimum distance =  2.42061898406607 Angstroms
sigma value = 1