Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Rh
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8000004738569264
cohesive_energy=5.750452274017433
mass=102.905
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.94866189897994e-19, 3.8860634040006594e-19, 4.590187991110979e-19, 5.170320128516039e-19, 5.669302019409e-19, 6.10866691775082e-19, 6.500831692454999e-19, 6.853647009028139e-19, 7.17243209389512e-19, 7.46098410567852e-19, 7.72207480995516e-19, 7.95786714518094e-19, 8.170027375055219e-19, 8.359901327950559e-19, 8.528626549277099e-19, 8.677116279716218e-19, 8.806155585818579e-19, 8.91641738177046e-19, 9.00849447292644e-19, 9.08291557757574e-19, 9.14014532694222e-19, 9.18056824341804e-19, 9.204584871161699e-19, 9.2125156455e-19, 9.20379980461104e-19, 9.17521697346048e-19, 9.1224733186692e-19, 9.040393809709379e-19, 8.922585761811359e-19, 8.76116646593586e-19, 8.54644275344718e-19, 8.266270125459599e-19, 7.905459947482799e-19, 7.44488223050682e-19, 6.86018388969486e-19, 6.12025065481464e-19, 5.184755739988379e-19, 4.0011797951535596e-19, 2.50026072442236e-19, 5.896314426680459e-20, -1.8406125606718798e-19, -4.89059610998598e-19, -8.652266520122879e-19, -1.3244665514988779e-18, -1.9350448514798397e-18, -2.8470198133189798e-18, -4.29525931632426e-18, -6.638634904745339e-18, -1.0402932884562e-17, -1.518563842001442e-17, -1.93626250572168e-17, -2.64961563024384e-17, -3.86967313703484e-17, -6.09336613089612e-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: 0.020072333349742455
Energy: 0.021268034210354492
Energy: 0.7487316334981609
Energy: 0.2453483106960252
Energy: 0.021268034210354492
Energy: 0.963768519456813
Energy: 0.2453483106960252
Energy: 0.9637685194562452
Energy: 0.7487316334975932
Energy: 0.2453483106960252
Energy: 0.020072333349742455
Energy: 0.021268034210354492
Energy: 0.24534831069548907
Energy: 0.9637685194617954
Energy: 0.021268034210354492
Energy: 0.9637685194601242

minimum gb energy = 0.020072333349742455 eV
minimum distance =  2.61427773935414 Angstroms
sigma value = 1


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

Energy: 1.8047949521799513
Energy: 1.4996043447346703
Energy: 1.5957060197920299
Energy: 1.5947333405964055
Energy: 1.4033227453992212
Energy: 1.6914925744803044
Energy: 1.4505542784310885
Energy: 1.6914925744803044
Energy: 1.5809828704344127
Energy: 1.580496992544788
Energy: 1.9714832482830933
Energy: 1.580496992544788
Energy: 1.4588346742258647
Energy: 1.4532929804650614
Energy: 1.4506681955450331
Energy: 1.4532929804650614
Energy: 1.690904687288113
Energy: 1.4513570985664475
Energy: 1.4502556479594386
Energy: 1.4513570985671358
Energy: 1.423804567052738
Energy: 1.4509931455020177
Energy: 1.4519132041764884
Energy: 1.4509931455020177
Energy: 1.423649718029051
Energy: 1.4245324606504455
Energy: 1.692732400564105
Energy: 1.4245324606504455
Energy: 1.4224705070671708
Energy: 1.4230337221238856
Energy: 1.5555357334626283
Energy: 1.4230337221231972
Energy: 1.5082548390247879
Energy: 1.591664388564477
Energy: 1.5078094819608328
Energy: 1.5916643885637887
Energy: 1.6458995584853673
Energy: 1.5100365108970828
Energy: 1.505404654854914
Energy: 1.5100365108970828
Energy: 1.5728769501797248
Energy: 1.589504756365752
Energy: 1.5110653197771244
Energy: 1.589504756365752
Energy: 1.4238874592451292
Energy: 1.7469651335842717
Energy: 1.562411654094761
Energy: 1.74696513358496
Energy: 1.4271809749724695
Energy: 1.4234431219362538
Energy: 1.799086265591552
Energy: 1.4234431219362538
Energy: 1.4239286574482297
Energy: 1.4311259587869878
Energy: 1.402721976611097
Energy: 1.4311259587862994
Energy: 1.797819888624366
Energy: 1.4500844372168318
Energy: 1.4531789826764767
Energy: 1.4500844372168318
Energy: 1.4791889627472075
Energy: 1.458223907775373
Energy: 1.452070250004414
Energy: 1.458223907773308
Energy: 1.5807199408867343
Energy: 1.5792780298773919
Energy: 1.494591768854341
Energy: 1.5792780298780804
Energy: 1.451343690957909
Energy: 1.4594759087930735
Energy: 1.403564287812126
Energy: 1.4594759087930735
Energy: 1.4490050656625373
Energy: 1.5826358257273103
Energy: 1.583677505209301
Energy: 1.5826358257266218
Energy: 1.4206832458466527
Energy: 1.4618987857059045
Energy: 1.4572682951137474
Energy: 1.4618987857079697
Energy: 1.451660828047995
Energy: 1.4504923596644104
Energy: 1.6913606196943232
Energy: 1.4504923596644104
Energy: 1.4517159474127461
Energy: 1.4507827013576946
Energy: 1.4252372333528833
Energy: 1.4507827013570063
Energy: 1.689803195022998
Energy: 1.4221200036265487
Energy: 1.4263973826172849
Energy: 1.4221200036258603
Energy: 1.5519550131790962
Energy: 1.4260061252848504
Energy: 1.4250008870111668
Energy: 1.426006125284162
Energy: 1.5130665035330895
Energy: 1.5922665987609863
Energy: 1.5090419284979177
Energy: 1.5922665987609863
Energy: 1.512173374627291
Energy: 1.5242895241781218
Energy: 1.643805765976931
Energy: 1.5242895241774332
Energy: 1.5103241728180965
Energy: 1.5895101385235921
Energy: 1.5735180977781797
Energy: 1.5895101385242807
Energy: 1.5205857822957205
Energy: 1.513264545743806
Energy: 1.4234514345218177
Energy: 1.5132645457431175
Energy: 1.7889227177330125
Energy: 1.423228786993664
Energy: 1.4241854531153448
Energy: 1.423228786993664
Energy: 1.4035202118656225
Energy: 1.429430469764679
Energy: 1.4238425382517657
Energy: 1.4294304697639906
Energy: 1.4520517899668755
Energy: 1.4501672642226011
Energy: 1.7895184528939967
Energy: 1.4501672642232897
Energy: 1.4514341707887837
Energy: 1.4552359966875315
Energy: 1.473126421074113
Energy: 1.4552359966882196
Energy: 1.495057354393535
Energy: 1.4577720523009567
Energy: 1.5809173730040538
Energy: 1.4577720522995798

minimum gb energy = 1.402721976611097 eV
minimum distance =  2.40084344490809 Angstroms
sigma value = 1


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

Energy: 2.06685251261555
Energy: 1.5275900081730376
Energy: 1.635393252249511
Energy: 1.6364631679570618
Energy: 1.4339345700466197
Energy: 1.7276395550379768
Energy: 1.4800736171929971
Energy: 1.727639555037192
Energy: 1.622616334642658
Energy: 1.6200937083025626
Energy: 1.8912900544872917
Energy: 1.620093708301778
Energy: 1.4897580086280662
Energy: 1.7282014440170652
Energy: 1.4799154899974223
Energy: 1.7282014440162805
Energy: 1.8949465392378169
Energy: 1.4784868242080027
Energy: 1.4792691915136993
Energy: 1.4784868242087876
Energy: 1.4753974437375326
Energy: 1.4772221632984484
Energy: 1.4795263879108063
Energy: 1.4772221632992335
Energy: 1.4735914583078142
Energy: 1.4730162083993539
Energy: 1.6138841478403012
Energy: 1.473016208400139
Energy: 1.4742666224140673
Energy: 1.4712700426203795
Energy: 1.6391068127166366
Energy: 1.4712700426195944
Energy: 1.617744688223414
Energy: 1.6318503746893513
Energy: 1.5074252078285888
Energy: 1.6318503746877815
Energy: 1.6380799622289173
Energy: 1.4729651189141044
Energy: 1.5289591340095456
Energy: 1.4729651189148893
Energy: 1.715953938235065
Energy: 1.4718731851571758
Energy: 1.4724464794428613
Energy: 1.4718731851571758
Energy: 1.432043961056975
Energy: 1.4730054181918855
Energy: 1.4724413880246685
Energy: 1.4730054181918855
Energy: 1.4763931038280074
Energy: 1.4775195379793298
Energy: 1.7130821159867655
Energy: 1.4775195379801147
Energy: 1.4753944851746108
Energy: 1.4882271266223552
Energy: 1.5205359832621752
Energy: 1.488227126623925
Energy: 1.5140387200819005
Energy: 1.6197796790102323
Energy: 1.6217428248151766
Energy: 1.6197796790094472
Energy: 1.433684751060623
Energy: 1.4892704431819181
Energy: 1.4788785900728836
Energy: 1.4892704431819181
Energy: 1.627382485485852
Energy: 1.6240981465851008
Energy: 1.471393318899831
Energy: 1.6240981465858855
Energy: 1.485971827935368
Energy: 1.4909270859651527
Energy: 1.4676163586786957
Energy: 1.490927085962013
Energy: 1.472473816335514
Energy: 1.477972159138956
Energy: 1.479601027324598
Energy: 1.4779721591366013
Energy: 1.4733304859665701
Energy: 1.47902530220039
Energy: 1.4798764694572422
Energy: 1.47902530220039
Energy: 1.4777458713711589
Energy: 1.4733635128684548
Energy: 1.6111359115449222
Energy: 1.4733635128684548
Energy: 1.4714241503388803
Energy: 1.4748072750680095
Energy: 1.638834244727742
Energy: 1.4748072750680095
Energy: 1.615656492991178
Energy: 1.635761256964524
Energy: 1.5132092484722985
Energy: 1.635761256961384
Energy: 1.5321927558007702
Energy: 1.6292876596354
Energy: 1.5366298020767968
Energy: 1.6292876596354
Energy: 1.7097931393559571
Energy: 1.4721010467375055
Energy: 1.4718747561814098
Energy: 1.4721010467375055
Energy: 1.4315896945638438
Energy: 1.4818628500324258
Energy: 1.471270642053203
Energy: 1.4818628500332107
Energy: 1.480872116938936
Energy: 1.4778040939642245
Energy: 1.7079341822440295
Energy: 1.4778040939642245
Energy: 1.4747848234067311
Energy: 1.4859043400249847
Energy: 1.51662215671957
Energy: 1.48590434002263
Energy: 1.5146474145671889
Energy: 1.4860346634623558
Energy: 1.6193287935581375
Energy: 1.4860346634615709

minimum gb energy = 1.4315896945638438 eV
minimum distance =  2.39780555818161 Angstroms
sigma value = 25


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

Energy: 1.9687353894547428
Energy: 1.5493621573844432
Energy: 1.6754916562381488
Energy: 1.660401791649211
Energy: 1.4621436448438974
Energy: 1.7554836535550196
Energy: 1.5017691578355308
Energy: 1.7554836535550196
Energy: 1.660532510241037
Energy: 1.6587734051718896
Energy: 1.7912286783542533
Energy: 1.6587734051728023
Energy: 1.5147803833215665
Energy: 1.7555246595989331
Energy: 1.5017870641818982
Energy: 1.7555246595989331
Energy: 1.7907236065194705
Energy: 1.4996510145816235
Energy: 1.502794685919165
Energy: 1.4996510145816235
Energy: 1.538656668060983
Energy: 1.5005836744779453
Energy: 1.4984658710094305
Energy: 1.5005836744779453
Energy: 1.543752258275268
Energy: 1.6764662745700394
Energy: 1.5380499937924115
Energy: 1.6764662745700394
Energy: 1.5381781521838074
Energy: 1.537910975812097
Energy: 1.4914066024230732
Energy: 1.537910975812097
Energy: 1.5414406809109158
Energy: 1.5472288820232019
Energy: 1.6166585798531599
Energy: 1.5472288820222893
Energy: 1.5372089077740152
Energy: 1.544471362160036
Energy: 1.5005662688425658
Energy: 1.5444713621582113
Energy: 1.5306385463260912
Energy: 1.4998972973691438
Energy: 1.501621579720472
Energy: 1.4998972973691438
Energy: 1.5312022513715897
Energy: 1.515372282417739
Energy: 1.500010416606774
Energy: 1.5153722824168263
Energy: 1.6592394985500647
Energy: 1.6588116700523097
Energy: 1.5281153859903296
Energy: 1.6588116700523097
Energy: 1.5002246617682775
Energy: 1.5146818040507428
Energy: 1.4610574902630273
Energy: 1.5146818040507428
Energy: 1.4932286757184265
Energy: 1.6635040674641115
Energy: 1.6643208555105482
Energy: 1.6635040674641115
Energy: 1.5077779635171944
Energy: 1.819130490423347
Energy: 1.5140109906418355
Energy: 1.8191304904224346
Energy: 1.5004625948511074
Energy: 1.5007965784504531
Energy: 1.49473218634835
Energy: 1.5007965784504531
Energy: 1.4992018513530885
Energy: 1.5002905400428168
Energy: 1.5403260983278508
Energy: 1.5002905400419044
Energy: 1.5397745308769926
Energy: 1.6775100613724678
Energy: 1.5506465659759443
Energy: 1.6775100613724678
Energy: 1.488114609188505
Energy: 1.546855221028438
Energy: 1.539817167369313
Energy: 1.546855221028438
Energy: 1.6175522852749593
Energy: 1.546114565001108
Energy: 1.5424389981806448
Energy: 1.5461145650001957
Energy: 1.4651769977965796
Energy: 1.546140904469912
Energy: 1.5372732521941175
Energy: 1.546140904468999
Energy: 1.5004560171924177
Energy: 1.5000370890562567
Energy: 1.530836067610003
Energy: 1.5000370890562567
Energy: 1.500031835660071
Energy: 1.5162125686595804
Energy: 1.5300607240691217
Energy: 1.5162125686586678
Energy: 1.5277039522912197
Energy: 1.5145917515094833
Energy: 1.6588497488340612
Energy: 1.514591751508571

minimum gb energy = 1.4610574902630273 eV
minimum distance =  2.39607774955824 Angstroms
sigma value = 9


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

Energy: 1.8253019357639158
Energy: 1.5529141816919563
Energy: 1.7011542328115763
Energy: 1.7011436317040638
Energy: 1.512595170957636
Energy: 1.7565353969233233
Energy: 1.5226995185541827
Energy: 1.7565353969233233
Energy: 1.6976379256901746
Energy: 1.7009802376479848
Energy: 1.5230635374542059
Energy: 1.7009802376479848
Energy: 1.5385367520529216
Energy: 1.7560951248685486
Energy: 1.522122445092526
Energy: 1.756095124869637
Energy: 1.6657525097342485
Energy: 1.5236654473359392
Energy: 1.5237275670581116
Energy: 1.5236654473348508
Energy: 1.5338905250176396
Energy: 1.5207789392386122
Energy: 1.523663064603834
Energy: 1.5207789392375237
Energy: 1.511462111718116
Energy: 1.6913067393337997
Energy: 1.6739798525464737
Energy: 1.6913067393327113
Energy: 1.5230230073813875
Energy: 1.5218805407292832
Energy: 1.5216324931277763
Energy: 1.5218805407249296
Energy: 1.5213749282314972
Energy: 1.5230556260144887
Energy: 1.5191780987035823
Energy: 1.5230556260144887
Energy: 1.5801243639878835
Energy: 1.5409046026620252
Energy: 1.5187810531001442
Energy: 1.5409046026620252
Energy: 1.5145404268688427
Energy: 1.6989623033900958
Energy: 1.7002392414772036
Energy: 1.6989623033911845
Energy: 1.5115990296482953
Energy: 1.5393647323056334
Energy: 1.5225412635910145
Energy: 1.5393647323056334
Energy: 1.6914087077124675
Energy: 1.6919085465239878
Energy: 1.525692474418861
Energy: 1.6919085465250765
Energy: 1.6890459930051993
Energy: 1.7958040130218014
Energy: 1.675185757983267
Energy: 1.79580401302289
Energy: 1.6634057360672303
Energy: 1.5229563286956165
Energy: 1.5230240382228846
Energy: 1.5229563286945282
Energy: 1.5340226160651718
Energy: 1.523070932114307
Energy: 1.520751208404064
Energy: 1.523070932114307
Energy: 1.5110510763291138
Energy: 1.6822979276698298
Energy: 1.6750588988347692
Energy: 1.6822979276698298
Energy: 1.5111402138741226
Energy: 1.6821028415724928
Energy: 1.5229739034587637
Energy: 1.6821028415735813
Energy: 1.5215913737625795
Energy: 1.5210114025864783
Energy: 1.5194364853382418
Energy: 1.521011402587567
Energy: 1.5237069244941441
Energy: 1.541156846256425
Energy: 1.5192270179519303
Energy: 1.5411568462575134
Energy: 1.5151291095958468
Energy: 1.5397895968898156
Energy: 1.6896765900777424
Energy: 1.5397895968898156

minimum gb energy = 1.5110510763291138 eV
minimum distance =  2.39350877890916 Angstroms
sigma value = 25


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

Energy: 1.6279092437169866
Energy: 1.496120754810054
Energy: 1.6999984955376841
Energy: 1.6987036518025245
Energy: 1.7034491069036128
Energy: 1.6604018413220973
Energy: 1.5602824705604
Energy: 1.6604018413207513
Energy: 1.6989180678719389
Energy: 1.6997931595922897
Energy: 1.4772988720376878
Energy: 1.6997931595922897
Energy: 1.707526525119827
Energy: 1.6622146329476175
Energy: 1.5340541817832205
Energy: 1.6622146329489638
Energy: 1.551437736953485
Energy: 1.5678497695784421
Energy: 1.5361897636209696
Energy: 1.5678497695784421
Energy: 1.486843251076465
Energy: 1.5327603001702228
Energy: 1.5324019063512169
Energy: 1.5327603001702228
Energy: 1.619709507069284
Energy: 1.5694333884983394
Energy: 1.558835148469023
Energy: 1.5694333884996854
Energy: 1.479962793528365
Energy: 1.7036835546774003
Energy: 1.5336858379277574
Energy: 1.7036835546774003
Energy: 1.699111127762179
Energy: 1.705360243447049
Energy: 1.4871572779809707
Energy: 1.7053602434483954
Energy: 1.6998771165331277
Energy: 1.6591757208300406
Energy: 1.4796568092033409
Energy: 1.6591757208300406
Energy: 1.4778037048238928
Energy: 1.6994068771561155
Energy: 1.7012475583460414
Energy: 1.6994068771574613
Energy: 1.6867938389866417
Energy: 1.660590998218178
Energy: 1.706965208429143
Energy: 1.660590998218178
Energy: 1.535482203843549
Energy: 1.56868637676549
Energy: 1.5498777778662363
Energy: 1.56868637676549
Energy: 1.5342631950215653
Energy: 1.5667602736655786
Energy: 1.4888225953687106
Energy: 1.5667602736655786
Energy: 1.5625258109045295
Energy: 1.568244651662198
Energy: 1.4803939169513933
Energy: 1.568244651660852
Energy: 1.5329141389152423
Energy: 1.7058289526994852
Energy: 1.477713798197722
Energy: 1.7058289526994852
Energy: 1.480154860741145
Energy: 1.4906407540937596
Energy: 1.7077010394756138
Energy: 1.4906407540951059

minimum gb energy = 1.4772988720376878 eV
minimum distance =  2.47339782084155 Angstroms
sigma value = 17


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

Energy: 2.3008762223117523
Energy: 1.6983158865118337
Energy: 1.8371859356680567
Energy: 1.8381164101591945
Energy: 1.6264778037615721
Energy: 1.6098242434691445
Energy: 1.745206857694704
Energy: 1.6098242434676198
Energy: 1.6046876562315875
Energy: 1.602201055654185
Energy: 1.7970487937093103
Energy: 1.60220105565266
Energy: 1.604801902927463
Energy: 1.6078515981086536
Energy: 1.607769509821876
Energy: 1.6078515981078914
Energy: 1.7284245279301138
Energy: 1.7232477490385294
Energy: 1.5843006390875733
Energy: 1.7232477490385294
Energy: 1.6143537724843637
Energy: 1.7330298946523837
Energy: 1.6058821056199748
Energy: 1.7330298946523837
Energy: 1.705922156969874
Energy: 1.6055353011347215
Energy: 1.6009303630971672
Energy: 1.605535301135484
Energy: 1.9294121601416048
Energy: 1.6170383681725218
Energy: 1.5503352025802193
Energy: 1.6170383681725218
Energy: 1.8399400148853018
Energy: 1.8390325253954123
Energy: 1.7083380094813985
Energy: 1.8390325253961746
Energy: 1.8312084943868088
Energy: 1.7412140237739602
Energy: 1.7321261914898245
Energy: 1.7412140237762475
Energy: 1.7204288531434118
Energy: 1.5527643648750322
Energy: 1.5427338967720958
Energy: 1.5527643648750322
Energy: 1.7124534912826224
Energy: 1.5525648014676297
Energy: 1.5489331391642693
Energy: 1.5525648014691544
Energy: 1.709341485365143
Energy: 1.555268702585078
Energy: 1.5513947369097547
Energy: 1.555268702585078
Energy: 1.7079205646555895
Energy: 1.5531267769057742
Energy: 1.546729662024499
Energy: 1.5531267769057742
Energy: 1.8341313504106493
Energy: 1.7741675841897768
Energy: 1.6936234125738128
Energy: 1.774167584188252
Energy: 1.8353047527341384
Energy: 1.831455784587717
Energy: 1.691943789754966
Energy: 1.8314557845907666
Energy: 1.7076204357304294
Energy: 1.6080056982673283
Energy: 1.605182599459064
Energy: 1.6080056982673283
Energy: 1.7075436524886174
Energy: 1.6071280768218044
Energy: 1.6020089175562289
Energy: 1.6071280768195173
Energy: 1.6138344075376574
Energy: 1.7208139328319556
Energy: 1.6112348111177082
Energy: 1.720813932832718
Energy: 1.5935146039157804
Energy: 1.7220296843641645
Energy: 1.6079177678922918
Energy: 1.7220296843649268
Energy: 1.6130675883051415
Energy: 1.6122784038902154
Energy: 1.696977787046777
Energy: 1.6122784038925027
Energy: 1.6030494267184607
Energy: 1.6047709408380035
Energy: 1.8619933016062826
Energy: 1.6047709408364788
Energy: 1.7412821936784917
Energy: 1.7379763965749366
Energy: 1.7501459357983935
Energy: 1.7379763965749366
Energy: 1.702808239410861
Energy: 1.8321748155195883
Energy: 1.8331164086476708
Energy: 1.8321748155203506
Energy: 1.5512136766926343
Energy: 1.6126708106615972
Energy: 1.8301611518495304
Energy: 1.6126708106631218
Energy: 1.5498137886691614
Energy: 1.5547422650264275
Energy: 1.6058194324250061
Energy: 1.5547422650241405
Energy: 1.5435383856750111
Energy: 1.5435930924641053
Energy: 1.7115364633942844
Energy: 1.5435930924663923
Energy: 1.5496936379839474
Energy: 1.5544351610738727
Energy: 1.8607208525471264
Energy: 1.5544351610746354
Energy: 1.5520630664007795
Energy: 1.608039054749529
Energy: 1.6881965053825014
Energy: 1.6080390547480043
Energy: 1.6937160555511879
Energy: 1.8372264219294832
Energy: 1.8352426723963207
Energy: 1.8372264219294832

minimum gb energy = 1.5427338967720958 eV
minimum distance =  2.3872405913853 Angstroms
sigma value = 53


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

Energy: 2.073158120191381
Energy: 1.3858144603238243
Energy: 1.671630066227928
Energy: 1.6735208668485346
Energy: 1.9756144517380947
Energy: 1.5530589851198568
Energy: 1.675480433541073
Energy: 1.5530589851198568
Energy: 1.6705791673857877
Energy: 1.6699108096474147
Energy: 1.71798740507492
Energy: 1.6699108096474147
Energy: 1.6764990175064916
Energy: 1.5524346453002136
Energy: 1.6737237336118498
Energy: 1.5524346453002136
Energy: 1.6695223100069807
Energy: 1.5533598953394518
Energy: 1.3828460581861037
Energy: 1.5533598953394518
Energy: 1.709549109768841
Energy: 1.5538619774184497
Energy: 1.3829216960905708
Energy: 1.5538619774184497
Energy: 2.0208892506296707
Energy: 1.6695269696138428
Energy: 1.6670599398434625
Energy: 1.6695269696138428
Energy: 1.921977668210088
Energy: 1.5547212861098518
Energy: 1.6705909599518511
Energy: 1.554721286111607
Energy: 1.668497023737962
Energy: 1.6728604218353278
Energy: 1.7112256788351194
Energy: 1.6728604218353278
Energy: 1.6750381844296962
Energy: 1.5526133495216228
Energy: 1.6755119425015754
Energy: 1.552613349519868
Energy: 1.670551880113539
Energy: 1.553203172222832
Energy: 1.38210495746024
Energy: 1.5532031722245871
Energy: 1.6717712069914485
Energy: 1.5516512328838072
Energy: 1.380895115851408
Energy: 1.5516512328838072
Energy: 1.9216922182063718
Energy: 1.5526974249465997
Energy: 1.6718250390392413
Energy: 1.5526974249465997

minimum gb energy = 1.380895115851408 eV
minimum distance =  2.46309406064382 Angstroms
sigma value = 9


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

Energy: 2.0578693857575168
Energy: 1.7706241315676685
Energy: 1.8975245848375473
Energy: 1.8955802357863263
Energy: 1.6704191476785812
Energy: 1.5573771661911886
Energy: 1.9014310177540839
Energy: 1.5573771661911886
Energy: 1.5602597896278252
Energy: 1.5587080818228058
Energy: 1.9116096528450095
Energy: 1.558708081823455
Energy: 1.55266413427016
Energy: 1.5542076535604377
Energy: 1.9386395518305375
Energy: 1.5542076535610874
Energy: 1.5579623188319545
Energy: 1.5594983841753132
Energy: 2.049589792913656
Energy: 1.5594983841759629
Energy: 1.5746384519814496
Energy: 1.672542553971975
Energy: 2.04633056935631
Energy: 1.672542553971975
Energy: 1.9237428854103393
Energy: 1.879698274726085
Energy: 1.905123672434856
Energy: 1.8796982747273845
Energy: 1.9268199104436252
Energy: 1.7684225337100927
Energy: 1.8771089529385832
Energy: 1.7684225337107424
Energy: 1.6524158404729126
Energy: 1.7635622038744097
Energy: 1.6528511246258806
Energy: 1.76356220387376
Energy: 1.5501453894561814
Energy: 1.6663321358685057
Energy: 1.8996953530973304
Energy: 1.6663321358685057
Energy: 1.6545865810551665
Energy: 1.6837903830765715
Energy: 1.7968155394393437
Energy: 1.6837903830765715
Energy: 1.655464591219808
Energy: 1.6569639613550116
Energy: 2.054368008904994
Energy: 1.6569639613569602
Energy: 1.9046505621808125
Energy: 1.6822637824487015
Energy: 1.6545098477020856
Energy: 1.682263782449351
Energy: 1.9039591510074436
Energy: 1.6552762632744948
Energy: 1.654168057005548
Energy: 1.6552762632751445
Energy: 1.897384724460406
Energy: 1.703767490669802
Energy: 1.6529296772216708
Energy: 1.7037674906691522
Energy: 1.7585400368007356
Energy: 1.6617018474265315
Energy: 1.653555795311957
Energy: 1.6617018474245828
Energy: 1.885488390695118
Energy: 1.5584348771763568
Energy: 1.6551541983740272
Energy: 1.5584348771763568
Energy: 1.8893872849491546
Energy: 1.8847739994806463
Energy: 2.056961279273156
Energy: 1.8847739994806463
Energy: 1.9015398231476903
Energy: 1.556377974917867
Energy: 1.6694015387122991
Energy: 1.556377974917217
Energy: 1.915043584970741
Energy: 1.5607065428373634
Energy: 1.5647939775658843
Energy: 1.5607065428373634
Energy: 1.9361627811829256
Energy: 1.5562733416151526
Energy: 1.553505025733128
Energy: 1.5562733416151526
Energy: 2.04639318250157
Energy: 1.5607821147859118
Energy: 1.5574089229458807
Energy: 1.5607821147865613
Energy: 2.0485763809802155
Energy: 1.5636072328976631
Energy: 1.5548413189400185
Energy: 1.563607232896364
Energy: 1.9027025837852718
Energy: 1.877463940262735
Energy: 1.901266783441076
Energy: 1.877463940262735
Energy: 1.8768850280805007
Energy: 1.8859848825355998
Energy: 1.8935921920300185
Energy: 1.8859848825355998
Energy: 1.6511549474945746
Energy: 1.769590413264147
Energy: 1.6513836521594252
Energy: 1.7695904132647964
Energy: 1.900373885394384
Energy: 1.6659181447804055
Energy: 1.5526847317853174
Energy: 1.6659181447817046
Energy: 1.797103723103767
Energy: 1.6809965065602337
Energy: 1.6532230954993619
Energy: 1.680996506559584
Energy: 2.056977799598304
Energy: 1.657388423592165
Energy: 1.6563897498603788
Energy: 1.657388423592165
Energy: 1.6553881603202023
Energy: 1.6848815760961033
Energy: 1.9047253430987943
Energy: 1.6848815760967528
Energy: 1.6576465224939465
Energy: 1.6568772279946102
Energy: 1.9046370004971462
Energy: 1.6568772279946102
Energy: 1.652424941216589
Energy: 1.7028588108258012
Energy: 1.9051339821262807
Energy: 1.7028588108258012
Energy: 1.6536205999231246
Energy: 1.659992432787039
Energy: 1.755410314321051
Energy: 1.6599924327883382
Energy: 1.6519381973449876
Energy: 1.5595930263383844
Energy: 1.7465240035941259
Energy: 1.5595930263377347
Energy: 2.0546604118535683
Energy: 1.880177383430739
Energy: 1.8861983343719526
Energy: 1.8801773834313888

minimum gb energy = 1.5501453894561814 eV
minimum distance =  2.41017188934403 Angstroms
sigma value = 73


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

Energy: 2.1604080781974844
Energy: 1.7289143217575191
Energy: 1.812987038690632
Energy: 1.809794950272401
Energy: 1.6838063032327633
Energy: 1.607806559782896
Energy: 1.8067386775119763
Energy: 1.607806559782896
Energy: 1.6151054745733882
Energy: 1.6149404767371358
Energy: 1.8650008255074377
Energy: 1.6149404767371358
Energy: 1.6034206421304527
Energy: 1.6054321780962892
Energy: 2.0467475721733703
Energy: 1.6054321780962892
Energy: 1.6132106000511386
Energy: 1.616279817803978
Energy: 1.9681313924814228
Energy: 1.616279817803978
Energy: 1.6142647954073774
Energy: 1.6333578083167366
Energy: 1.916416633064671
Energy: 1.6333578083167366
Energy: 1.7275776051583698
Energy: 1.8553307716640786
Energy: 1.8556942013737265
Energy: 1.8553307716640786
Energy: 1.7385084813226164
Energy: 1.8582862244637273
Energy: 1.8527063782919468
Energy: 1.8582862244637273
Energy: 1.6802415169406308
Energy: 1.5508182223597362
Energy: 1.8598472887628594
Energy: 1.5508182223597362
Energy: 1.6613823058236663
Energy: 1.5996327903139052
Energy: 1.8499036794343429
Energy: 1.5996327903169971
Energy: 1.6874437848571182
Energy: 1.7211041891289378
Energy: 1.5512353626491642
Energy: 1.7211041891289378
Energy: 1.674796332830152
Energy: 1.64775346415103
Energy: 1.9599266761288034
Energy: 1.6477534641499996
Energy: 1.8612634775669408
Energy: 1.7258792374133778
Energy: 1.646666634656624
Energy: 1.7258792374133778
Energy: 1.8616982072346846
Energy: 1.6748730615813567
Energy: 1.6787254094932098
Energy: 1.6748730615823875
Energy: 1.9005314603889005
Energy: 1.6466009868088667
Energy: 1.6449839280181662
Energy: 1.6466009868088667
Energy: 2.0293980088957286
Energy: 1.6511597647119816
Energy: 1.6554538913701655
Energy: 1.6511597647119816
Energy: 1.966312222123933
Energy: 1.6469699926836496
Energy: 1.652064293621111
Energy: 1.6469699926836496
Energy: 1.8489457404780856
Energy: 1.8477148865253479
Energy: 1.734384702278588
Energy: 1.8477148865253479
Energy: 1.8120681602551294
Energy: 1.7843490903007662
Energy: 1.73883667604502
Energy: 1.7843490903007662
Energy: 1.8109252805805185
Energy: 1.7815646414983712
Energy: 1.8063686914908168
Energy: 1.7815646414973405
Energy: 1.822226015658664
Energy: 1.6533750546255526
Energy: 1.6571277460764804
Energy: 1.6533750546255526
Energy: 1.9073062861620684
Energy: 1.8073058332709553
Energy: 1.8135732292087126
Energy: 1.8073058332709553

minimum gb energy = 1.5508182223597362 eV
minimum distance =  2.35473186368095 Angstroms
sigma value = 7


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

Energy: 2.464405955509521
Energy: 1.6811747063359215
Energy: 1.8468615030654378
Energy: 1.8457337336974005
Energy: 1.7323535700664434
Energy: 1.59946462529042
Energy: 1.7947615995217687
Energy: 1.5994646252918778
Energy: 1.6083111065183586
Energy: 1.587542128936878
Energy: 1.758948226391115
Energy: 1.5875421289383356
Energy: 1.5818417414222754
Energy: 1.589413456352628
Energy: 1.794513779038884
Energy: 1.5894134563380526
Energy: 1.6196614050491396
Energy: 1.6211448333612235
Energy: 1.9083292493889126
Energy: 1.6211448333619525
Energy: 1.6092469746680118
Energy: 1.7734437663955858
Energy: 1.9100946076755123
Energy: 1.7734437663933993
Energy: 1.8374092317964246
Energy: 1.586173482749168
Energy: 1.610953349518748
Energy: 1.586173482748439
Energy: 1.785840828430677
Energy: 1.596271567054086
Energy: 1.6163608528701439
Energy: 1.596271567053357
Energy: 1.7939466211877484
Energy: 1.5928065012837833
Energy: 1.5866094267347923
Energy: 1.5928065012845118
Energy: 1.9105134985073944
Energy: 1.5888836838857896
Energy: 1.5946044122178258
Energy: 1.5888836838865183
Energy: 1.8526772493836126
Energy: 1.5982564966276123
Energy: 1.6013330570260311
Energy: 1.5982564966254258
Energy: 1.799867318568734
Energy: 1.807251814768805
Energy: 1.8316683512820884
Energy: 1.8072518147709913
Energy: 1.7661020028504566
Energy: 1.766832807654667
Energy: 1.7673906486312665
Energy: 1.766832807654667
Energy: 1.761950546073508
Energy: 1.743667735049494
Energy: 1.6107145918558086
Energy: 1.743667735049494
Energy: 1.7708405468198383
Energy: 1.769067541991818
Energy: 1.6177832332882274
Energy: 1.7690675419896318
Energy: 1.6475389620736116
Energy: 1.8065784849158573
Energy: 1.80132645704749
Energy: 1.8065784849158573
Energy: 1.6482231985780513
Energy: 1.5990730998373377
Energy: 1.8440292778284588
Energy: 1.59907309983588
Energy: 1.5941588130731628
Energy: 1.5911090856210637
Energy: 1.7605079960737113
Energy: 1.5911090856174197
Energy: 1.5865364456261186
Energy: 1.593895508783902
Energy: 1.7939320275536381
Energy: 1.5938955087802582
Energy: 1.618525066561552
Energy: 1.59904534566271
Energy: 1.654013777817029
Energy: 1.59904534566271
Energy: 1.6095895346583768
Energy: 1.6192964154620277
Energy: 1.9063557679910783
Energy: 1.6192964154627565
Energy: 1.8346704026535459
Energy: 1.5957184231682984
Energy: 1.6097605469411136
Energy: 1.5957184231682984
Energy: 1.7867419460369593
Energy: 1.6219506536883381
Energy: 1.626058646180941
Energy: 1.6219506536876092
Energy: 1.7942244236667022
Energy: 1.5900042174776565
Energy: 1.5825246889780606
Energy: 1.5900042174761988
Energy: 1.9116046831659779
Energy: 1.5867691765516054
Energy: 1.5876182178657738
Energy: 1.5867691765516054
Energy: 1.9189164454235288
Energy: 1.6003080465890158
Energy: 1.6029470502438943
Energy: 1.6003080465904733
Energy: 1.8464709106699901
Energy: 1.8458660463313656
Energy: 2.1812174835009492
Energy: 1.8458660463306367
Energy: 1.776812856574887
Energy: 1.6004736723391375
Energy: 1.6007468247837529
Energy: 1.6004736723391375
Energy: 1.7612703853360532
Energy: 1.7478500862488864
Energy: 1.7673326955484088
Energy: 1.7478500862481574
Energy: 1.7694234232756698
Energy: 1.5945856933258877
Energy: 1.6109265351213833
Energy: 1.594585693327345
Energy: 1.6469072356112728
Energy: 1.8033744769854463
Energy: 1.7772527610967987
Energy: 1.8033744769839886

minimum gb energy = 1.5818417414222754 eV
minimum distance =  2.37778152097843 Angstroms
sigma value = 29


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

Energy: 1.4721148832433046
Energy: 1.4761451054580472
Energy: 1.507202529914611
Energy: 1.8051403801176547
Energy: 1.4806397753823488
Energy: 1.7237909080814713
Energy: 1.6416286780243317
Energy: 1.7237909080814713
Energy: 1.5125710176667113
Energy: 1.5114726498796167
Energy: 1.479504697099432
Energy: 1.5114726498796167
Energy: 1.529647993129476
Energy: 1.5111519351169254
Energy: 1.5110622479378457
Energy: 1.5111519351169254
Energy: 1.510546548991538
Energy: 1.511607590464373
Energy: 1.481160069166899
Energy: 1.511607590464373
Energy: 1.5097923597338856
Energy: 1.6570907451754626
Energy: 1.480813505577795
Energy: 1.6570907451754626
Energy: 1.480587957138627
Energy: 1.7240025037648428
Energy: 1.512223249545877
Energy: 1.7240025037648428
Energy: 1.6462065855934902
Energy: 1.5140398405760298
Energy: 1.5310524271891106
Energy: 1.5140398405760298
Energy: 1.4797909148464483
Energy: 1.514801509382707
Energy: 1.5131137159967858
Energy: 1.514801509382707

minimum gb energy = 1.4721148832433046 eV
minimum distance =  2.41070374708691 Angstroms
sigma value = 5


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

Energy: 2.0106842257826965
Energy: 1.5426424215977228
Energy: 1.7654866144943746
Energy: 1.6046360795220753
Energy: 1.5198536473559336
Energy: 1.5795996467596043
Energy: 1.785304998522185
Energy: 1.5795996467602929
Energy: 1.8008152872944836
Energy: 1.761307679962576
Energy: 1.8120541724569905
Energy: 1.761307679962576
Energy: 1.6281541335116527
Energy: 1.5756563137484705
Energy: 1.7974298748301307
Energy: 1.575656313747782
Energy: 1.8156513363966982
Energy: 1.6151594499673474
Energy: 1.7936647805974086
Energy: 1.615159449971478
Energy: 1.6270087661800945
Energy: 1.6133577499309928
Energy: 1.7934313718073822
Energy: 1.6133577499303045
Energy: 1.5759511182946837
Energy: 1.5761566738240633
Energy: 1.8481722454544112
Energy: 1.5761566738233748
Energy: 1.5784196990770611
Energy: 1.5827665580241257
Energy: 1.9410616222560921
Energy: 1.5827665580234371
Energy: 1.5788484015903481
Energy: 1.7168747839213412
Energy: 1.8869409681708698
Energy: 1.7168747839213412
Energy: 1.8156293113854207
Energy: 1.5286296185044146
Energy: 1.5286818707516325
Energy: 1.5286296185051031
Energy: 1.5797384855381067
Energy: 1.5261146110241004
Energy: 1.529021362751813
Energy: 1.526114611024789
Energy: 1.9636035144281756
Energy: 1.5393672131576919
Energy: 1.5243906582093527
Energy: 1.5393672131583802
Energy: 1.9580419812930567
Energy: 1.7407852151928869
Energy: 1.6820388413304153
Energy: 1.74078521519151
Energy: 1.7798573955564845
Energy: 1.7953008531220636
Energy: 1.806659853514812
Energy: 1.7953008531213754
Energy: 1.5781564213255546
Energy: 1.577738222688306
Energy: 1.794411636562728
Energy: 1.577738222688306
Energy: 1.5882905045534002
Energy: 1.5792681907608925
Energy: 1.8491814759384957
Energy: 1.5792681907608925
Energy: 1.6222349885333756
Energy: 1.6165464053426963
Energy: 1.6334762623177639
Energy: 1.6165464053440735
Energy: 1.785800753059119
Energy: 1.5816159157995133
Energy: 1.520076441284128
Energy: 1.5816159157995133
Energy: 1.8162735461291004
Energy: 1.7639769816696595
Energy: 1.785610996810338
Energy: 1.7639769816689708
Energy: 1.7966182884649546
Energy: 1.7641323120174435
Energy: 1.622970473721756
Energy: 1.7641323120174435
Energy: 1.7932131362203798
Energy: 1.6133041588388042
Energy: 1.7968206701190481
Energy: 1.6133041588388042
Energy: 1.8075250842641797
Energy: 1.6143522803580332
Energy: 1.613279593721411
Energy: 1.6143522803580332
Energy: 1.8490600877593484
Energy: 1.5765860411876347
Energy: 1.5786393323052896
Energy: 1.5765860411869461
Energy: 1.9379909705725553
Energy: 1.5828024903577884
Energy: 1.5814256515348537
Energy: 1.5828024903577884
Energy: 1.891054174139924
Energy: 1.6705012558401189
Energy: 1.576667340002763
Energy: 1.6705012558408072
Energy: 1.5275647262803556
Energy: 1.5288055973493249
Energy: 1.8156075015010726
Energy: 1.5288055973507018
Energy: 1.538086358218575
Energy: 1.526582216732691
Energy: 1.5789558346662422
Energy: 1.5265822167320027
Energy: 1.5276584963931388
Energy: 1.5289731879496957
Energy: 1.623657272748322
Energy: 1.5289731879496957
Energy: 1.5289861948598997
Energy: 1.7360919312247203
Energy: 1.9981111505613403
Energy: 1.7360919312247203
Energy: 1.807992026806223
Energy: 1.6751974452308436
Energy: 1.8065971719213423
Energy: 1.6751974452301555
Energy: 1.7955003130351639
Energy: 1.5797030719238583
Energy: 1.5812337954790392
Energy: 1.5797030719238583
Energy: 1.8470889487788658
Energy: 1.5774942458209913
Energy: 1.581417770723356
Energy: 1.5774942458216799
Energy: 1.6351372169276328
Energy: 1.6159878284657656
Energy: 1.6171861796328852
Energy: 1.6159878284657656

minimum gb energy = 1.5198536473559336 eV
minimum distance =  2.39309311046835 Angstroms
sigma value = 1


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

Energy: 2.115308921911699
Energy: 1.51097876190601
Energy: 1.7423209549079757
Energy: 1.5738049803098375
Energy: 1.5724082413012586
Energy: 1.5347152296577764
Energy: 1.8002515883976147
Energy: 1.5347152296577764
Energy: 1.8010667360331711
Energy: 1.7598727215384542
Energy: 1.5925981842379302
Energy: 1.7598727215384542
Energy: 1.5755629502615374
Energy: 1.5278051776802706
Energy: 1.5960136135644205
Energy: 1.5278051776802706
Energy: 1.5965703329554624
Energy: 1.572304142073587
Energy: 1.786461454832892
Energy: 1.572304142073587
Energy: 1.573768246195668
Energy: 1.5714228234670706
Energy: 1.7851388404545294
Energy: 1.571422823466119
Energy: 1.5258110989022722
Energy: 1.5283406162804445
Energy: 1.5857290670500654
Energy: 1.5283406162804445
Energy: 1.5300760522665755
Energy: 1.5337051115214229
Energy: 1.4727217767769771
Energy: 1.5337051115214229
Energy: 1.5931079318204004
Energy: 1.6722548371362635
Energy: 1.4681783945186127
Energy: 1.6722548371362635
Energy: 1.7855834696532276
Energy: 1.5327361378164575
Energy: 1.528976467079062
Energy: 1.5327361378164575
Energy: 1.5933563188218152
Energy: 1.529454725314696
Energy: 1.5267025363016795
Energy: 1.529454725314696
Energy: 1.462340865155755
Energy: 1.549246921277414
Energy: 1.5714934008229502
Energy: 1.549246921277414
Energy: 1.4645800703494474
Energy: 1.5301420309830591
Energy: 1.5310494538082495
Energy: 1.530142030984011
Energy: 1.5497852213975778
Energy: 1.5280949651291365
Energy: 1.6363600495408783
Energy: 1.5280949651281845
Energy: 1.572297290878981
Energy: 1.7591588340693798
Energy: 1.8042963053401468
Energy: 1.7591588340693798
Energy: 1.574480991180829
Energy: 1.5318959263711307
Energy: 1.550933504118675
Energy: 1.5318959263711307
Energy: 1.636121095284492
Energy: 1.5326649096012226
Energy: 1.7907884212582872
Energy: 1.5326649096021743
Energy: 1.551094921894406
Energy: 1.5340911876234602
Energy: 1.5786169794802623
Energy: 1.5340911876234602
Energy: 1.5281975370966017
Energy: 1.5320262091059034
Energy: 1.467822357218053
Energy: 1.5320262091059034
Energy: 1.573482276301504
Energy: 1.5491693011779009
Energy: 1.4708494002961046
Energy: 1.5491693011779009
Energy: 1.7912895098221226
Energy: 1.6532723359880064
Energy: 1.585077584237195
Energy: 1.6532723359880064
Energy: 1.6232696557519977
Energy: 1.530995974394617
Energy: 1.5300572365189051
Energy: 1.5309959743936654
Energy: 1.549141728863876
Energy: 1.5288814733742826
Energy: 1.5296894797024316
Energy: 1.5288814733742826
Energy: 1.4643319580482148
Energy: 1.5736799633983913
Energy: 1.5728927607633472
Energy: 1.5736799633983913

minimum gb energy = 1.462340865155755 eV
minimum distance =  2.40654379850728 Angstroms
sigma value = 17


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

Energy: 2.244986471603857
Energy: 1.5209706325580303
Energy: 1.754882005162696
Energy: 1.7474337718469288
Energy: 1.5723711473624375
Energy: 1.5401551462404504
Energy: 1.7291270054383265
Energy: 1.540155146239862
Energy: 1.8637702646415006
Energy: 1.5394253817547698
Energy: 1.7269242726259522
Energy: 1.5394253817553578
Energy: 1.8780669509572578
Energy: 1.6757643817509191
Energy: 1.6918129867725205
Energy: 1.6757643817520957
Energy: 1.7365797564176964
Energy: 1.8274421495455295
Energy: 1.7231399952222506
Energy: 1.8274421495461177
Energy: 1.5227209779438957
Energy: 1.5155473635365795
Energy: 1.7187484677516813
Energy: 1.5155473635365795
Energy: 1.5018829753349807
Energy: 1.4998391600187488
Energy: 1.689831666427534
Energy: 1.4998391600193373
Energy: 1.503190123273936
Energy: 1.5046502780872715
Energy: 1.4927473947145256
Energy: 1.5046502780878597
Energy: 1.7264450434214869
Energy: 1.650640140017354
Energy: 1.8666412573083022
Energy: 1.6506401400168191
Energy: 1.7218619751098037
Energy: 1.5348794479683467
Energy: 1.731886625901384
Energy: 1.534879447966582
Energy: 1.7261253047188667
Energy: 1.6573129091019976
Energy: 1.5629894879249489
Energy: 1.657312909102586
Energy: 1.7173553254167018
Energy: 1.5422569545043217
Energy: 1.7603341561298789
Energy: 1.5422569545037335
Energy: 1.7244001819611958
Energy: 1.5707673117189247
Energy: 1.577881284387793
Energy: 1.5707673117195131
Energy: 1.586209257326429
Energy: 1.535021129850314
Energy: 1.538829283261445
Energy: 1.5350211298497258
Energy: 1.869479003711883
Energy: 1.5381211313568992
Energy: 1.5361203198849038
Energy: 1.5381211313574876
Energy: 1.5247963113264538
Energy: 1.613915488358174
Energy: 1.559002983067706
Energy: 1.613915488357586
Energy: 1.5410102453261099
Energy: 1.5430970940070738
Energy: 1.7258906179731535
Energy: 1.5430970940076618
Energy: 1.5325357579765535
Energy: 1.536259885294726
Energy: 1.7259816963776045
Energy: 1.536259885295314
Energy: 1.586443613893259
Energy: 1.5388593577641339
Energy: 1.8815176770501798
Energy: 1.5388593577635457
Energy: 1.6223193888818568
Energy: 1.539992940932614
Energy: 1.4935150248660816
Energy: 1.5399929281617895
Energy: 1.732236997013438
Energy: 1.538424392709435
Energy: 1.5453381546582419
Energy: 1.5384243927088463
Energy: 1.7289901252494457
Energy: 1.540442007036055
Energy: 1.865414625606381
Energy: 1.5404420070354665
Energy: 1.681662768697594
Energy: 1.4986494667406323
Energy: 1.8760222688322792
Energy: 1.4986494667412205
Energy: 1.7175094168324407
Energy: 1.8294398401061416
Energy: 1.7248518644722572
Energy: 1.8294398401067298
Energy: 1.723361787908039
Energy: 1.5091335317041226
Energy: 1.5176801194874845
Energy: 1.5091335317047112
Energy: 1.7641129725140468
Energy: 1.501243880212868
Energy: 1.5073808212049504
Energy: 1.501243880212868
Energy: 1.4938311067803414
Energy: 1.5060428791463363
Energy: 1.504729996661599
Energy: 1.5060428791463363
Energy: 1.883298468321352
Energy: 1.5006081569522336
Energy: 1.7301492750058096
Energy: 1.500608156951057
Energy: 1.735202012431524
Energy: 1.6563914195352472
Energy: 1.7218068090906393
Energy: 1.6563914195358354
Energy: 1.5659561447337702
Energy: 1.533013604687961
Energy: 1.5623183504548455
Energy: 1.5330136046873724
Energy: 1.730482628996674
Energy: 1.5626406782205648
Energy: 1.7289519655301164
Energy: 1.5626406782211533
Energy: 1.5771866977984543
Energy: 1.5762493770162727
Energy: 1.726098302618259
Energy: 1.5762493770162727
Energy: 1.5350344182297577
Energy: 1.534793345822697
Energy: 1.589392465578788
Energy: 1.5347933458221088
Energy: 1.536127016294019
Energy: 1.540379173946472
Energy: 1.8724321670518627
Energy: 1.5403791739470607
Energy: 1.5556173222806788
Energy: 1.615776794306857
Energy: 1.5455936353562414
Energy: 1.615776794306269
Energy: 2.065312550288801
Energy: 1.542570943972045
Energy: 1.5388813450165826
Energy: 1.542570943972045
Energy: 1.5585516099447574
Energy: 1.5352340656952668
Energy: 1.5390254410360442
Energy: 1.5352340656958552
Energy: 1.8663782183654358
Energy: 1.541327457160218
Energy: 1.5918767446860822
Energy: 1.541327457160218

minimum gb energy = 1.4927473947145256 eV
minimum distance =  2.36737147585893 Angstroms
sigma value = 89


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

Energy: 2.339408959911301
Energy: 1.5280316295402399
Energy: 1.4455108234179976
Energy: 1.442126404289156
Energy: 1.4212781825108864
Energy: 1.442441982328417
Energy: 1.491790021934189
Energy: 1.442441982328417
Energy: 1.421539348268677
Energy: 1.6431098998847082
Energy: 1.4953425993383611
Energy: 1.6431098998847082
Energy: 1.4255470260603116
Energy: 1.4390298037479334
Energy: 1.4909905335472688
Energy: 1.4390298037479334
Energy: 1.6007964916231097
Energy: 1.4402994092677612
Energy: 1.5827202593924707
Energy: 1.4402994092677612
Energy: 1.4412875690002251
Energy: 1.4407446380663915
Energy: 1.5832905115140863
Energy: 1.4407446380679307
Energy: 1.4403360545018393
Energy: 1.4405254204303057
Energy: 1.599821237076132
Energy: 1.4405254204303057
Energy: 1.4399833110171956
Energy: 1.4466922385268557
Energy: 1.4205968900484565
Energy: 1.4466922385268557
Energy: 1.439290766065796
Energy: 1.6431778073349865
Energy: 1.4211474459953486
Energy: 1.6431778073349865
Energy: 1.6020464093247084
Energy: 1.6416456294493058
Energy: 1.6029123788343804
Energy: 1.6416456294493058
Energy: 1.600379147958414
Energy: 1.6397862276634083
Energy: 1.418998314709188
Energy: 1.6397862276634083
Energy: 1.5838459094449033
Energy: 1.4437396035466006
Energy: 1.6020090954710242
Energy: 1.4437396035450611
Energy: 1.5826447618643662
Energy: 1.4419597610373083
Energy: 1.441697601964455
Energy: 1.4419597610373083
Energy: 1.60022711147486
Energy: 1.4395377412502324
Energy: 1.437034608667372
Energy: 1.4395377412502324
Energy: 1.420364908840425
Energy: 1.4434922380829263
Energy: 1.441031515614836
Energy: 1.4434922380829263

minimum gb energy = 1.418998314709188 eV
minimum distance =  2.40366726953668 Angstroms
sigma value = 13


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

Energy: 2.1199147684871975
Energy: 1.4013910358233208
Energy: 1.4452206282640052
Energy: 1.4428496793661507
Energy: 1.4192728231943594
Energy: 1.409300399088456
Energy: 1.594211287144956
Energy: 1.4093003990891013
Energy: 1.4695689302798198
Energy: 1.4075992571772922
Energy: 1.5885698385196472
Energy: 1.4075992571772922
Energy: 1.7337635570157695
Energy: 1.4092881893156333
Energy: 1.5887739093095588
Energy: 1.4092881893188596
Energy: 1.6098391499310976
Energy: 1.6789745297061727
Energy: 1.6110484321404894
Energy: 1.678974529706818
Energy: 1.5923560007348847
Energy: 1.4072852305755825
Energy: 1.611451691140063
Energy: 1.4072852305762278
Energy: 1.5851250667624697
Energy: 1.4081662347595385
Energy: 1.6667925651893
Energy: 1.4081662347595385
Energy: 1.596633270029967
Energy: 1.5608032172320738
Energy: 1.5804397525542597
Energy: 1.5608032172340094
Energy: 1.433979289522754
Energy: 1.41222456543163
Energy: 1.607857909762756
Energy: 1.41222456543163
Energy: 1.4053196184411778
Energy: 1.4076968187782963
Energy: 1.5980463842332084
Energy: 1.4076968187789414
Energy: 1.4170216324701033
Energy: 1.417281775413562
Energy: 2.1209715144700336
Energy: 1.417281775413562
Energy: 1.6170986362759594
Energy: 1.545437533690806
Energy: 1.5932569311136178
Energy: 1.545437533690161
Energy: 1.6207146270069388
Energy: 1.5241448813723892
Energy: 1.6693737244659077
Energy: 1.5241448813723892
Energy: 1.668247811718946
Energy: 1.4048139531391048
Energy: 1.7376086959772885
Energy: 1.4048139531384596
Energy: 1.5831530679579184
Energy: 1.7153425592436748
Energy: 1.6653311970868276
Energy: 1.7153425592430298
Energy: 1.6149526111596342
Energy: 1.4058418161563757
Energy: 1.4108655975160296
Energy: 1.4058418161563757
Energy: 1.6677884291465979
Energy: 1.4080582779365896
Energy: 1.4096197946127342
Energy: 1.4080582779365896
Energy: 1.4161699180881144
Energy: 1.4110106364353712
Energy: 1.4082125581771974
Energy: 1.4110106364334358
Energy: 1.7350739240713604
Energy: 1.4114841497226127
Energy: 1.6183506531126286
Energy: 1.411484149723258
Energy: 1.5955176417973442
Energy: 1.4055782540766253
Energy: 1.5824081545805044
Energy: 1.4055782540766253
Energy: 1.7360300898722119
Energy: 1.4065282139016455
Energy: 1.6115946197870248
Energy: 1.4065282139016455
Energy: 1.5888635337479773
Energy: 1.6783784955167311
Energy: 1.6125728153176715
Energy: 1.6783784955173764
Energy: 1.588487712992984
Energy: 1.4095659346651654
Energy: 1.6118503462708489
Energy: 1.4095659346645204
Energy: 1.422298867611537
Energy: 1.4066111719111276
Energy: 1.5866454046868723
Energy: 1.4066111719104823
Energy: 1.595123628172211
Energy: 1.4064368434332335
Energy: 1.5859141296050006
Energy: 1.4064368434293624
Energy: 1.438375993076083
Energy: 1.4338759993066525
Energy: 1.5808112063759614
Energy: 1.4338759993060073
Energy: 1.4073992951489345
Energy: 1.40716168341621
Energy: 1.588407635640498
Energy: 1.40716168341621
Energy: 1.4196053797203698
Energy: 1.413302676551804
Energy: 1.41554435552218
Energy: 1.4133026765472874
Energy: 1.6163034736959956
Energy: 1.5441465394797724
Energy: 1.7472192708684353
Energy: 1.5441465394797724
Energy: 1.5793111852429436
Energy: 1.5299007034158183
Energy: 1.616589957623736
Energy: 1.5299007034164636
Energy: 1.668512241503826
Energy: 1.5162171079903308
Energy: 1.7392910064085623
Energy: 1.5162171079883953
Energy: 1.6131713053234813
Energy: 1.408210755295258
Energy: 1.6664339561566701
Energy: 1.408210755295258
Energy: 1.5879003074893194
Energy: 1.4108118243944086
Energy: 1.4074619047574608
Energy: 1.4108118243950536
Energy: 1.8977758593095535
Energy: 1.4069576208752925
Energy: 1.4084972025806137
Energy: 1.4069576208752925
Energy: 1.7373299045235637
Energy: 1.407159900588985
Energy: 1.4101584082376046
Energy: 1.4071599005593647

minimum gb energy = 1.4013910358233208 eV
minimum distance =  2.39656234805592 Angstroms
sigma value = 37


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

Energy: 2.0716410191859587
Energy: 1.4098370174592547
Energy: 1.3891906969000378
Energy: 1.3877563717580368
Energy: 1.556298015513445
Energy: 1.3723874646256102
Energy: 1.6569318864073208
Energy: 1.3723874646267202
Energy: 1.457357659343716
Energy: 1.3709606738652216
Energy: 1.647647035627227
Energy: 1.3709606738641114
Energy: 1.4579633178115796
Energy: 1.552632698007146
Energy: 1.3102950432531528
Energy: 1.552632698007146
Energy: 1.6414988456010478
Energy: 1.4802911498114217
Energy: 1.7265407688385486
Energy: 1.4802911498103117
Energy: 1.4568839679159198
Energy: 1.33792659382143
Energy: 1.4584231651937947
Energy: 1.33792659382032
Energy: 1.4566443390235162
Energy: 1.3361963963239825
Energy: 1.8291722056723625
Energy: 1.3361963963228725
Energy: 1.4981571397929172
Energy: 1.3128995625410145
Energy: 1.7301729138861148
Energy: 1.3128995625399043
Energy: 1.4740544876307242
Energy: 1.3273319631574685
Energy: 1.739322752529616
Energy: 1.3273319631574685
Energy: 1.4501925501582427
Energy: 1.3105446158324525
Energy: 1.3111425482485228
Energy: 1.3105446158324525
Energy: 1.4512865680414382
Energy: 1.457196444229614
Energy: 1.878611611154676
Energy: 1.457196444230724
Energy: 1.714036521896371
Energy: 1.3109070867351529
Energy: 1.3132305303886942
Energy: 1.3109070867351529
Energy: 1.7146071554410942
Energy: 1.3101934638315904
Energy: 1.4570403215430228
Energy: 1.3101934638327006
Energy: 1.4980432746939474
Energy: 1.5207167406486053
Energy: 1.4576427805003513
Energy: 1.520716740647495
Energy: 1.7265407688396583
Energy: 1.3103064348000533
Energy: 1.3112685611342731
Energy: 1.3103064348000533
Energy: 1.4584231651915744
Energy: 1.554556334525464
Energy: 1.4570440628532
Energy: 1.5545563345243538
Energy: 1.640072615057607
Energy: 1.4811203381725702
Energy: 1.4576887081647008
Energy: 1.4811203381725702
Energy: 1.7301729138872244
Energy: 1.3271313858316929
Energy: 1.3270665175407503
Energy: 1.3271313858316929
Energy: 1.739322752529616
Energy: 1.3709760228744636
Energy: 1.3716814499725356
Energy: 1.3709760228744636
Energy: 1.5558721018424613
Energy: 1.3721015724000294
Energy: 1.3706728048784544
Energy: 1.3721015724000294

minimum gb energy = 1.3101934638315904 eV
minimum distance =  2.38485743941917 Angstroms
sigma value = 25


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

Energy: 2.191447448145115
Energy: 1.2539673225280044
Energy: 1.2271798951780295
Energy: 1.2275580895426328
Energy: 1.648012593757355
Energy: 1.226268310147963
Energy: 1.437500634458335
Energy: 1.226268310147963
Energy: 1.6496928855257236
Energy: 1.224135586973224
Energy: 1.4438363171178497
Energy: 1.224135586973224
Energy: 1.6299234479003062
Energy: 1.4438956624530501
Energy: 1.7266817031232522
Energy: 1.4438956624530501
Energy: 1.716979275002191
Energy: 1.3975920880410317
Energy: 1.7257522883009029
Energy: 1.3975920880410317
Energy: 1.6518271579700503
Energy: 1.3973679839503859
Energy: 1.725209921183211
Energy: 1.3973679839503859
Energy: 1.6459700426819297
Energy: 1.398460446896341
Energy: 1.7167169258576438
Energy: 1.398460446896341
Energy: 1.7293504455806759
Energy: 1.4447610404983038
Energy: 1.7236431924367306
Energy: 1.4447610404974371
Energy: 1.4495444630849508
Energy: 1.224440566566537
Energy: 1.7364874480967323
Energy: 1.224440566566537
Energy: 1.4564682951592705
Energy: 1.2264146331380763
Energy: 1.7237505593046623
Energy: 1.2264146331380763
Energy: 1.2239790670810797
Energy: 1.2239046636527393
Energy: 1.908237343874896
Energy: 1.2239046636518727
Energy: 1.222949399402679
Energy: 1.226263632676865
Energy: 1.7371761821123244
Energy: 1.226263632676865
Energy: 1.227239279667056
Energy: 1.2249508562456672
Energy: 1.6476379748380192
Energy: 1.224950856246534
Energy: 1.4401001914450686
Energy: 1.44292388372259
Energy: 1.6454253434462922
Energy: 1.4429238837234568
Energy: 1.439351671581632
Energy: 1.2242408337876765
Energy: 1.7161825003103113
Energy: 1.2242408337876765
Energy: 1.442860047352396
Energy: 1.2259936375748997
Energy: 1.6482500458802023
Energy: 1.2259936375757665
Energy: 1.7190612628331354
Energy: 1.2258196564262775
Energy: 1.647919273197315
Energy: 1.2258196564262775
Energy: 1.4249635135588725
Energy: 1.3977004121642427
Energy: 1.7166569148123683
Energy: 1.3977004121642427
Energy: 1.81978413290552
Energy: 1.3989323788201597
Energy: 1.6477682480539233
Energy: 1.3989323788192929
Energy: 1.7262071972698194
Energy: 1.3960780735558513
Energy: 1.650069540783679
Energy: 1.3960780735558513
Energy: 1.9124154915638065
Energy: 1.225571287432543
Energy: 1.4423297040734369
Energy: 1.225571287432543
Energy: 1.7296846829525014
Energy: 1.223590603953717
Energy: 1.2230182875505624
Energy: 1.223590603953717
Energy: 1.7251458140261045
Energy: 1.2243938938228547
Energy: 1.4418085064092596
Energy: 1.2243938938219876
Energy: 1.7256572819081812
Energy: 1.2239766159309102
Energy: 1.2244720518304733
Energy: 1.2239766159300434
Energy: 1.7165991023205331
Energy: 1.223924444464233
Energy: 1.2266389254392287
Energy: 1.223924444464233
Energy: 1.634236710755021
Energy: 1.2253544413290465
Energy: 1.2238535401524335
Energy: 1.2253544413290465

minimum gb energy = 1.222949399402679 eV
minimum distance =  2.41054684617277 Angstroms
sigma value = 41


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

Energy: 2.3892365127518884
Energy: 1.1843931021354657
Energy: 1.5121418749555067
Energy: 1.143946224372248
Energy: 1.8221568313621908
Energy: 1.1429266288519708
Energy: 1.3114937948711738
Energy: 1.1429266288541027
Energy: 1.8153348244911374
Energy: 1.1417650552434189
Energy: 1.3063889993146813
Energy: 1.1417650552434189
Energy: 1.822260802421492
Energy: 1.3299822285754377
Energy: 1.578903230898534
Energy: 1.329982228574727
Energy: 1.8467099960411624
Energy: 1.1398766937363365
Energy: 1.654017307504837
Energy: 1.139876693737047
Energy: 1.8163299374751263
Energy: 1.141846261555649
Energy: 1.6629261416090622
Energy: 1.141846261548543
Energy: 1.8147212331061866
Energy: 1.2924554004263185
Energy: 1.84725430655886
Energy: 1.2924554004248976
Energy: 1.6644776308622584
Energy: 1.284911339167437
Energy: 1.6564238754649878
Energy: 1.2849113391688582
Energy: 1.4825266031903042
Energy: 1.2841033218061797
Energy: 1.8521187263952992
Energy: 1.2841033218061797
Energy: 1.4675399104347078
Energy: 1.1402244291765034
Energy: 1.8491561869955129
Energy: 1.1402244291765034
Energy: 1.3233950576635352
Energy: 1.1435355159349438
Energy: 1.8402249667924022
Energy: 1.1435355159356544
Energy: 1.3083116559582086
Energy: 1.140725970830145
Energy: 1.848538572909699
Energy: 1.140725970829434
Energy: 1.3233641039585715
Energy: 1.1454064921697131
Energy: 1.8429025515585573
Energy: 1.1454064921711344
Energy: 1.1419355332570988
Energy: 1.1421450608039112
Energy: 1.58045854973094
Energy: 1.142145060806043
Energy: 1.1434250361335776
Energy: 1.1432997904159643
Energy: 1.847064199741341
Energy: 1.1432997904166748
Energy: 1.140710726601963
Energy: 1.1434117158547943
Energy: 1.833582101412108
Energy: 1.1434117158555048
Energy: 1.3118915634074177
Energy: 1.3173887693340114
Energy: 1.8255282383200946
Energy: 1.3173887693361435
Energy: 1.3073728534310465
Energy: 1.1416331642120716
Energy: 1.8444222789401568
Energy: 1.1416331642127822
Energy: 1.309355991548277
Energy: 1.1462799395970955
Energy: 1.829010581194206
Energy: 1.1462799395963852
Energy: 1.672270342088329
Energy: 1.1441631748638976
Energy: 1.8261628072747194
Energy: 1.1441631748659646
Energy: 1.6610806109308076
Energy: 1.2861264153933616
Energy: 1.8463865176678715
Energy: 1.2861264153940721
Energy: 1.6724065090993212
Energy: 1.1416287525785007
Energy: 1.8158730229901516
Energy: 1.1416287525785007
Energy: 1.8517492627740242
Energy: 1.2846271570541412
Energy: 1.8145798901390207
Energy: 1.2846271570548518
Energy: 1.655600470483472
Energy: 1.144588937418594
Energy: 1.6560755550694204
Energy: 1.1445889374178835
Energy: 1.848394863046155
Energy: 1.286458066595499
Energy: 1.4660790053724297
Energy: 1.2864580665947885
Energy: 1.8421400343804515
Energy: 1.3144207448062926
Energy: 1.669507135895138
Energy: 1.3144207448084244
Energy: 1.8468066132563243
Energy: 1.1467082854581823
Energy: 1.3259433591401728
Energy: 1.1467082854581823
Energy: 1.844585752282609
Energy: 1.1411921628800286
Energy: 1.3029453704366976
Energy: 1.1411921628814496
Energy: 1.8424696383585237
Energy: 1.143689943941969
Energy: 1.3227674164441272
Energy: 1.1436899439426793
Energy: 1.8439818053685388
Energy: 1.1437400335389973
Energy: 1.1430010248527978
Energy: 1.1437400335375758
Energy: 1.845816921195793
Energy: 1.1428830201044295
Energy: 1.1422911724507292
Energy: 1.1428830201044295
Energy: 1.8258947720568275
Energy: 1.1430498468066963
Energy: 1.142357065470451
Energy: 1.1430498468066963

minimum gb energy = 1.1398766937363365 eV
minimum distance =  2.41338216443744 Angstroms
sigma value = 15


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

Energy: 2.0875287820996564
Energy: 1.1203081312100232
Energy: 1.4706686960298263
Energy: 1.07384143432947
Energy: 1.9262743582405768
Energy: 1.0745375269030024
Energy: 1.2135803735084625
Energy: 1.0745375269030024
Energy: 1.6597066574241703
Energy: 1.0733641740706616
Energy: 1.2050982261539147
Energy: 1.0733641740712636
Energy: 1.9238868703656995
Energy: 1.2313457283914955
Energy: 1.5244079256595853
Energy: 1.2313457283914955
Energy: 1.940130655910566
Energy: 1.0710272418128575
Energy: 1.50566419114571
Energy: 1.0710272418128575
Energy: 1.933205848464855
Energy: 1.0707134506775242
Energy: 1.5199697576405438
Energy: 1.0707134506775242
Energy: 1.6661180649491578
Energy: 1.072446730254722
Energy: 1.803483397512439
Energy: 1.0724467302559257
Energy: 1.7953587232680501
Energy: 1.198702998781851
Energy: 1.5066306313962643
Energy: 1.1987029987830546
Energy: 1.6620604445971017
Energy: 1.195005849342022
Energy: 1.7959233393741194
Energy: 1.195005849342022
Energy: 1.659043762493345
Energy: 1.1941211426726273
Energy: 1.9456178052366746
Energy: 1.1941211426738314
Energy: 1.50920995184183
Energy: 1.0777562280198572
Energy: 1.7955743793515802
Energy: 1.0777562280204591
Energy: 1.3472767428683448
Energy: 1.0700252526740572
Energy: 1.9442086112328534
Energy: 1.0700252526734555
Energy: 1.5154159148439805
Energy: 1.073809236017074
Energy: 1.9419754245621934
Energy: 1.0738092360164722
Energy: 1.2238878774814685
Energy: 1.0739861553640717
Energy: 1.7972477957029789
Energy: 1.0739861553634698
Energy: 1.2057875815566428
Energy: 1.0718563513181765
Energy: 1.9398965146694946
Energy: 1.0718563513187784
Energy: 1.2266644719005346
Energy: 1.078026289208362
Energy: 1.9339835978579272
Energy: 1.0780262892089638
Energy: 1.072341966154004
Energy: 1.075442599433283
Energy: 1.9349502638394187
Energy: 1.0754425994320789
Energy: 1.072426112337712
Energy: 1.0716132173930821
Energy: 1.9389845660785632
Energy: 1.0716132173924802
Energy: 1.0710301045394692
Energy: 1.0786885416738041
Energy: 1.9274378090641215
Energy: 1.078688541674406
Energy: 1.2097679600033566
Energy: 1.2169976020708586
Energy: 1.9284454277367107
Energy: 1.2169976020690525
Energy: 1.2053501738356684
Energy: 1.072430868988327
Energy: 1.9400232808126385
Energy: 1.072430868988327
Energy: 1.2098521611169437
Energy: 1.0741998759244895
Energy: 1.922301263710426
Energy: 1.0741998759244895
Energy: 1.5273413765540802
Energy: 1.0729027789179217
Energy: 1.9233345590350401
Energy: 1.0729027789179217
Energy: 1.5081087935815565
Energy: 1.0699670130378467
Energy: 1.9415096044965616
Energy: 1.0699670130378467
Energy: 1.5229287422042102
Energy: 1.0771492902387003
Energy: 1.6761502763137053
Energy: 1.0771492902380984
Energy: 1.798890387024041
Energy: 1.1929103840635378
Energy: 1.9407792586083847
Energy: 1.1929103840641397
Energy: 1.5095457790837765
Energy: 1.1962587535647993
Energy: 1.7963660071804324
Energy: 1.1962587535647993
Energy: 1.7976810971165096
Energy: 1.1927868898255694
Energy: 1.6803493023133476
Energy: 1.1927868898243652
Energy: 1.8008403546651657
Energy: 1.0712856106088953
Energy: 1.801933680363529
Energy: 1.0712856106088953
Energy: 1.7945399374932256
Energy: 1.0714357161355705
Energy: 1.514749457340425
Energy: 1.0714357161361727
Energy: 1.9398578083735394
Energy: 1.0720049759672705
Energy: 1.3469358889488268
Energy: 1.0720049759684747
Energy: 1.7973072485708934
Energy: 1.229574403042888
Energy: 1.5093267196108802
Energy: 1.2295744030434899
Energy: 1.9420901898747847
Energy: 1.0739329408577423
Energy: 1.207452549857574
Energy: 1.0739329408583442
Energy: 1.9430747807320599
Energy: 1.0738484052384305
Energy: 1.218177810148671
Energy: 1.0738484052384305
Energy: 1.9350692967632297
Energy: 1.228408424187485
Energy: 1.2273171232265776
Energy: 1.228408424188087
Energy: 1.93817216773534
Energy: 1.0737553888223546
Energy: 1.0722906034726354
Energy: 1.0737553888217526
Energy: 1.930374939098603
Energy: 1.0742565546242289
Energy: 1.0774808260143056
Energy: 1.0742565546242289

minimum gb energy = 1.0699670130378467 eV
minimum distance =  2.4140490227646 Angstroms
sigma value = 85


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

Energy: 2.211496020515107
Energy: 1.081727920852328
Energy: 1.001065700242724
Energy: 0.9982290124114545
Energy: 1.9898682510411267
Energy: 0.9925723167597093
Energy: 1.1095174991342407
Energy: 0.9925723167602313
Energy: 1.9864783071518546
Energy: 0.9921920065707657
Energy: 1.1064462804495057
Energy: 0.9921920065712877
Energy: 1.7459809270880071
Energy: 1.1102173168161378
Energy: 1.3857900392128253
Energy: 1.1102173168156155
Energy: 2.00454819665726
Energy: 0.9901937439791877
Energy: 1.373545568270959
Energy: 0.9901937439781434
Energy: 1.7485611828458896
Energy: 0.9908055903324137
Energy: 1.3751126529549798
Energy: 0.9908055903318914
Energy: 1.748689502318354
Energy: 0.9916309604104115
Energy: 1.6344723275752255
Energy: 0.9916309604125001
Energy: 1.8763176151875738
Energy: 0.989683482362584
Energy: 1.3674029037755657
Energy: 0.9896834823604956
Energy: 1.752923950593649
Energy: 0.9907638078169834
Energy: 1.6367217725513017
Energy: 0.9907638078164612
Energy: 1.7558685327340944
Energy: 1.197409476083862
Energy: 1.8765482039557813
Energy: 1.197409476083862
Energy: 1.6349025592166162
Energy: 0.9896909514967341
Energy: 1.6299584434452745
Energy: 0.9896909514972562
Energy: 1.5131380099302207
Energy: 0.9913661811058401
Energy: 1.8779174243407006
Energy: 0.9913661811079286
Energy: 1.634099046845897
Energy: 0.9898580578727698
Energy: 1.8702258008681452
Energy: 0.9898580578727698
Energy: 1.3756986486162603
Energy: 0.9930431521062923
Energy: 1.6293666814362553
Energy: 0.9930431521068146
Energy: 1.2224111195903338
Energy: 0.98981003532699
Energy: 2.0028269289923823
Energy: 0.9898100353264679
Energy: 1.3735732889743475
Energy: 0.9912594324729913
Energy: 1.8673124567843664
Energy: 0.991259432471947
Energy: 1.1259451049675802
Energy: 0.9898462578370819
Energy: 1.8672145136754463
Energy: 0.9898462578365598
Energy: 1.1055118578012335
Energy: 0.9907252515401278
Energy: 2.0021276808148625
Energy: 0.9907252515396057
Energy: 1.1232702539130093
Energy: 0.9905893348764954
Energy: 1.8643862837645448
Energy: 0.9905893348754511
Energy: 0.9917268070516035
Energy: 0.9989785629495777
Energy: 1.7952603335184036
Energy: 0.9989785629495777
Energy: 0.9925594074183958
Energy: 0.9908521729286882
Energy: 2.0031703387312247
Energy: 0.9908521729292102
Energy: 0.9995546207525838
Energy: 0.9922243621125869
Energy: 1.98079423430926
Energy: 0.9922243621115425
Energy: 1.109895848772563
Energy: 0.9911029688052329
Energy: 1.98275149192821
Energy: 0.9911029688073212
Energy: 1.1109451231376541
Energy: 0.9905752625812982
Energy: 2.002592548665182
Energy: 0.9905752625818205
Energy: 1.1101726913850318
Energy: 0.9915838272938784
Energy: 1.7457931716490154
Energy: 0.9915838272944005
Energy: 1.3746484439672342
Energy: 0.9912046633782792
Energy: 1.98910645005711
Energy: 0.9912046633788012
Energy: 1.375028622690734
Energy: 0.9898493531122992
Energy: 1.9899242002529347
Energy: 0.9898493531117772
Energy: 1.5994351569745409
Energy: 0.9925888031073764
Energy: 1.7488571826681814
Energy: 0.9925888031073764
Energy: 1.638134570693125
Energy: 0.9897135967284063
Energy: 2.0045286185054554
Energy: 0.9897135967268399
Energy: 1.6335021656333248
Energy: 0.9906417025765093
Energy: 1.7512161510309117
Energy: 0.9906417027132091
Energy: 1.8030421997007486
Energy: 1.1964495460672722
Energy: 1.5079379866174358
Energy: 1.1964495460672722
Energy: 1.6300755854960511
Energy: 1.196509564307587
Energy: 1.8071038204120478
Energy: 1.196509564308109
Energy: 1.8765810327554477
Energy: 0.9906859325706577
Energy: 1.508481219370523
Energy: 0.9906859325701356
Energy: 2.000497714958508
Energy: 0.9897040216981436
Energy: 1.5112901292314496
Energy: 0.9897040216965773
Energy: 1.628557812251908
Energy: 0.9986224051250924
Energy: 1.3867941779369575
Energy: 0.9986224051250924
Energy: 1.8793349240147765
Energy: 0.9898293714922419
Energy: 1.3747177952042677
Energy: 0.9898293714922419
Energy: 1.7982059832528505
Energy: 0.9916000317923738
Energy: 1.3739887225476581
Energy: 0.991600031793418
Energy: 1.8676172386765792
Energy: 0.9914522097745531
Energy: 1.1101360443037716
Energy: 0.9914522097750753
Energy: 2.004355072389879
Energy: 0.9906027018848205
Energy: 1.1097030040288451
Energy: 0.990602701883254
Energy: 1.7943281247672376
Energy: 0.9910770663516748
Energy: 1.1092488529835267
Energy: 0.9910770663532413
Energy: 1.8643999928455535
Energy: 0.9913683380678684
Energy: 0.9905953292274077
Energy: 0.9913683380668242
Energy: 2.0023156529169843
Energy: 0.9911323763926853
Energy: 0.9913748292600715
Energy: 0.9911323763926853
Energy: 1.980509372934253
Energy: 0.9988411990937309
Energy: 0.990880247691897
Energy: 0.9988411990937309

minimum gb energy = 0.9896834823604956 eV
minimum distance =  2.4173160025386 Angstroms
sigma value = 113


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

Energy: 0.022709252831844412
Energy: 0.02373175397286292
Energy: 1.656932937213198
Energy: 0.804306814437095
Energy: 0.02465535143325675
Energy: 0.2834426156424178
Energy: 1.1241216325126309
Energy: 0.2834426156424178
Energy: 0.02348967521386167
Energy: 0.28368854362784807
Energy: 1.125913641170197
Energy: 0.28368854362784807
Energy: 0.022820109240364594
Energy: 0.2836187082291697
Energy: 1.1205340937769088
Energy: 0.2836187082295265
Energy: 1.1241217683067455
Energy: 0.28355741665654693
Energy: 1.1221401418839851
Energy: 0.28355741665694834
Energy: 0.02314070581562863
Energy: 0.2836010453145799
Energy: 1.1239318667423845
Energy: 0.2836010453145799

minimum gb energy = 0.022709252831844412 eV
minimum distance =  2.6540518100914 Angstroms
sigma value = 1