Model name: model_name=MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315634429455
cohesive_energy=3.5402784094648996
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.013700240414517553
Energy: 0.014469377895255164
Energy: 0.3091885287228514
Energy: 0.014469377895255164
Energy: 0.014469377895255164
Energy: 0.7316223975580209
Energy: 0.014469377894627362
Energy: 0.7316223975580209
Energy: 0.3091885287228514
Energy: 0.014469377894627362
Energy: 0.013700240414517553
Energy: 0.014469377895255164
Energy: 0.014469377895255164
Energy: 0.7316223975580209
Energy: 0.014469377894627362
Energy: 0.7316223975580209

minimum gb energy = 0.013700240414517553 eV
minimum distance =  2.47126487932533 Angstroms
sigma value = 1


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

Energy: 0.9552925709331084
Energy: 1.003019437365212
Energy: 1.0091116882765894
Energy: 1.003019437365212
Energy: 0.8945450707772737
Energy: 1.1435577637380616
Energy: 0.8981521931496829
Energy: 1.143557763738823
Energy: 1.004107651487865
Energy: 0.9949307624603653
Energy: 0.9444339972940026
Energy: 0.9949307624611268
Energy: 0.8904040932473991
Energy: 1.075415352877375
Energy: 0.8652640288178663
Energy: 1.0754153528781365
Energy: 0.9350748885775858
Energy: 1.0622482918108969
Energy: 0.9007799103164333
Energy: 1.0622482918116585
Energy: 0.8571231088759492
Energy: 1.1809119293567638
Energy: 0.8399383732514345
Energy: 1.1809119293575254
Energy: 0.931869895404579
Energy: 1.0836183748619552
Energy: 0.8758361640423155
Energy: 1.0836183748619552
Energy: 0.818876865602
Energy: 1.062616321942035
Energy: 0.8285155562230533
Energy: 1.0626163219412739
Energy: 0.8782768795399744
Energy: 1.1106867931759639
Energy: 1.0043719524983838
Energy: 1.1106867937939335
Energy: 0.8324892609504508
Energy: 0.9956618646442882
Energy: 0.812591521760676
Energy: 0.9956618646442882
Energy: 1.0238309403839383
Energy: 0.957802601554775
Energy: 0.878377010775339
Energy: 0.9578026015570592
Energy: 0.9184524260905631
Energy: 1.063621089195981
Energy: 0.8428216432381006
Energy: 1.063621089195981
Energy: 0.8973081507237597
Energy: 1.1182157122244754
Energy: 0.9320950591497592
Energy: 1.1182157122244754
Energy: 0.9470896856686503
Energy: 0.9984392165686721
Energy: 0.8581994655959959
Energy: 0.9984392165679107
Energy: 0.9228983716998248
Energy: 1.0621853686179357
Energy: 0.9959511862526119
Energy: 1.0621853686179357
Energy: 0.922419740193524
Energy: 1.119966452452958
Energy: 0.8935087963852728
Energy: 1.1199664524537194
Energy: 0.9443255408382941
Energy: 0.996668486066436
Energy: 0.8562658776596134
Energy: 0.996668486066436
Energy: 0.8982144908011463
Energy: 1.119496373831042
Energy: 0.9326823804868036
Energy: 1.119496373831042
Energy: 0.8213086772568626
Energy: 1.0056855112281553
Energy: 0.8418329360749477
Energy: 1.0056855112281553
Energy: 1.0148295477733902
Energy: 0.8847992772390154
Energy: 0.8798232401773036
Energy: 0.8847992772390154
Energy: 0.8351946115539349
Energy: 0.9954782515052512
Energy: 0.81139921445413
Energy: 0.9954782515052512
Energy: 0.8793331815222948
Energy: 1.1793491106340697
Energy: 1.0043122308049865
Energy: 1.1793491106340697
Energy: 0.9744385046432724
Energy: 1.0630867551604095
Energy: 0.88223153094575
Energy: 1.0630867551604095
Energy: 0.9638679444979787
Energy: 1.0488139623019221
Energy: 0.8761642486645798
Energy: 1.0488139623019221
Energy: 0.8744148225119263
Energy: 1.1747885789526618
Energy: 1.0301490761733525
Energy: 1.1747885789526618
Energy: 0.9341859785879574
Energy: 1.0579379301906462
Energy: 0.8609566147075458
Energy: 1.0579379301906462
Energy: 0.8891122396137822
Energy: 0.9392012161269822
Energy: 0.878900917884278
Energy: 0.9392012161262207
Energy: 1.0050548157132224
Energy: 0.9938148828504967
Energy: 0.9422600338782205
Energy: 0.9938148828504967
Energy: 0.8938558789376366
Energy: 1.0543520492199077
Energy: 0.8959495029938375
Energy: 1.0543520492199077
Energy: 0.9560224161412435
Energy: 1.0039543322022393
Energy: 0.9201578786697358
Energy: 1.003954332201478
Energy: 0.8973109070497617
Energy: 1.0862087225155865
Energy: 0.8972562949025681
Energy: 1.0862087225163481
Energy: 0.8685410436865691
Energy: 0.999237955230071
Energy: 0.9475024243392199
Energy: 0.999237955230071
Energy: 0.912498066665977
Energy: 0.8862268643438987
Energy: 0.8652779251052405
Energy: 0.8862268643446601

minimum gb energy = 0.81139921445413 eV
minimum distance =  2.32921347658238 Angstroms
sigma value = 1


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

Energy: 1.016472066998408
Energy: 1.0672389638205468
Energy: 1.0753819404561136
Energy: 1.0672389638205468
Energy: 0.9335770555894733
Energy: 1.197001700158335
Energy: 0.9366885454214484
Energy: 1.197001700158335
Energy: 1.0711729976961426
Energy: 1.0529239012311002
Energy: 1.010721037719876
Energy: 1.052923901230232
Energy: 0.903878101962866
Energy: 0.9045667674280473
Energy: 0.8902423823671166
Energy: 0.9045667674306516
Energy: 0.904014207475274
Energy: 1.130640585612668
Energy: 1.0068005030007094
Energy: 1.1306405856091952
Energy: 0.9945492542203855
Energy: 1.135834874920827
Energy: 0.9599109354768937
Energy: 1.135834874920827
Energy: 1.0281782795703787
Energy: 1.0879386460357896
Energy: 0.914958337625301
Energy: 1.0879386460349214
Energy: 0.8473311672613331
Energy: 1.0741672749820352
Energy: 0.8774209541484359
Energy: 1.0741672749829034
Energy: 0.917883254827994
Energy: 0.9323920657035778
Energy: 1.0868180243492547
Energy: 0.9323920657035778
Energy: 0.8771953509160181
Energy: 1.1449956084241366
Energy: 0.8469751173659242
Energy: 1.1449956084232682
Energy: 0.9188736672755241
Energy: 1.0897386446633512
Energy: 0.9367583764770778
Energy: 1.0897386446607469
Energy: 0.8841423165377011
Energy: 1.059400316358428
Energy: 0.9829760316147318
Energy: 1.0594003163592964
Energy: 0.9822900235681601
Energy: 1.1287329125056584
Energy: 0.9198771835314501
Energy: 1.1287329125047905
Energy: 0.982032175896708
Energy: 1.1288632397689513
Energy: 0.9021714414989551
Energy: 1.1288632397706877
Energy: 0.8841015187802987
Energy: 1.059246380352486
Energy: 1.010330420583055
Energy: 1.0592463803507501
Energy: 0.9191444803572884
Energy: 1.089562755615187
Energy: 0.9366376393859966
Energy: 1.0895627556134506
Energy: 0.8771905345844103
Energy: 1.1450129683461125
Energy: 0.854781778093113
Energy: 1.1450129683452444
Energy: 0.9178668319726617
Energy: 0.9323682412363503
Energy: 0.9523870437865217
Energy: 0.9323682412354822
Energy: 0.8473115088168593
Energy: 1.0740076224103916
Energy: 0.8772407772187255
Energy: 1.0740076224103916
Energy: 1.028226702011311
Energy: 1.0877553172555283
Energy: 0.9207352634139003
Energy: 1.0877553172555283
Energy: 0.9945163258931692
Energy: 1.1355362076295168
Energy: 0.8690192879329851
Energy: 1.1355362076269124
Energy: 0.9039021182313501
Energy: 1.1307458297449418
Energy: 0.9225491214819612
Energy: 1.1307458297440738
Energy: 0.9039649316480854
Energy: 0.9042679011246394
Energy: 0.8903904227469932
Energy: 0.9042679011220349
Energy: 1.0713379404405894
Energy: 1.0529247912198958
Energy: 1.0103847227524165
Energy: 1.0529247912190276
Energy: 0.9337288901013723
Energy: 1.197054098287287
Energy: 0.9366171475573908
Energy: 1.197054098287287
Energy: 1.016472066998408
Energy: 1.0672389638205468
Energy: 1.0859882802208451
Energy: 1.0672389638205468
Energy: 0.9335770555886054
Energy: 1.1970017001574669
Energy: 0.9366885454214484
Energy: 1.197001700158335
Energy: 1.0711729976952742
Energy: 1.052923901230232
Energy: 0.9470544398239681
Energy: 1.0529239012311002
Energy: 0.903878101962866
Energy: 0.9045667674306516
Energy: 0.8980219100596734
Energy: 0.9045667674315198

minimum gb energy = 0.8469751173659242 eV
minimum distance =  2.285020398198 Angstroms
sigma value = 25


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

Energy: 0.9551839345767869
Energy: 1.1182167622870405
Energy: 1.1525611189857057
Energy: 1.1182167622870405
Energy: 0.9923893950327938
Energy: 1.1484822717221566
Energy: 1.0150622512357026
Energy: 1.1484822717211476
Energy: 0.9456307640631704
Energy: 1.1773037302877571
Energy: 0.9314473811250492
Energy: 1.1773037302877571
Energy: 0.9247071508454262
Energy: 0.958633324294096
Energy: 0.9347203124215732
Energy: 0.9586333243112519
Energy: 0.9355248409349737
Energy: 1.1634354537070586
Energy: 1.0910785660356024
Energy: 1.1634354537060494
Energy: 1.041895542286427
Energy: 1.1815568353223915
Energy: 1.0853875995092648
Energy: 1.1815568353233779
Energy: 0.9792973991467716
Energy: 1.1990613131266916
Energy: 0.9794877425097465
Energy: 1.1990613131266916
Energy: 1.1378402198326472
Energy: 1.1234291220879007
Energy: 0.8994611553303039
Energy: 1.1234291220879007
Energy: 0.9796512329449503
Energy: 1.1114525050221487
Energy: 0.9786737216122741
Energy: 1.1114525050221487
Energy: 0.9332396508975929
Energy: 1.1820983088377068
Energy: 0.9151877903657241
Energy: 1.1820983088387162
Energy: 0.9698321433008825
Energy: 1.116786226546361
Energy: 0.990442648448567
Energy: 1.116786226546361
Energy: 0.9570396061284481
Energy: 1.1537304734122347
Energy: 1.1046058840050255
Energy: 1.1537304734122347
Energy: 0.9312088101118028
Energy: 1.0515479479042968
Energy: 0.9281664362484238
Energy: 1.0515479479042968
Energy: 0.9806435135393679
Energy: 1.0211317006688518
Energy: 0.9795089581073793
Energy: 1.0211317006698608
Energy: 0.8831345227010926
Energy: 1.1651845719938423
Energy: 0.8983979570163728
Energy: 1.1651845719938423
Energy: 1.0351015422059417
Energy: 0.9757325683894099
Energy: 0.9676677573216257
Energy: 0.9757325683894099
Energy: 0.8853946780858076
Energy: 1.1833113431956765
Energy: 0.8831906675164037
Energy: 1.1833113431966855
Energy: 0.9352702590302023
Energy: 1.1733750688825502
Energy: 0.9707179090685177
Energy: 1.1733750688825502
Energy: 0.9240465195480518
Energy: 0.9583426457954665
Energy: 0.9354498331670409
Energy: 0.9583426458005123
Energy: 0.979311156717444
Energy: 1.1786928844982574
Energy: 0.9566844313541483
Energy: 1.1786928844982574
Energy: 0.9601775717916765
Energy: 1.0892694953598188
Energy: 0.9569094927550592
Energy: 1.0892694953588098
Energy: 0.9573204541236454
Energy: 1.1283643109537274
Energy: 1.0417710188848561
Energy: 1.1283643109537274
Energy: 0.9906121576272293
Energy: 1.1145774567144886
Energy: 1.0110645826794504
Energy: 1.1145774567144886
Energy: 1.154159627433855
Energy: 1.1814995491637623
Energy: 0.9332881010099623
Energy: 1.1814995491637623
Energy: 1.1653493405400188
Energy: 0.9590030751893748
Energy: 0.961941425606758
Energy: 0.9590030751853381

minimum gb energy = 0.8831345227010926 eV
minimum distance =  2.2837287330138 Angstroms
sigma value = 9


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

Energy: 1.0008562304790545
Energy: 1.189036702632932
Energy: 1.249775866161033
Energy: 1.189036702632932
Energy: 1.0270047781722023
Energy: 1.1066881835764693
Energy: 1.0733128825563765
Energy: 1.1066881837461313
Energy: 0.9916590621317177
Energy: 1.0507839690337215
Energy: 0.9886666482332924
Energy: 1.0507839690349252
Energy: 1.2173572442398173
Energy: 1.0244779135084374
Energy: 0.979302284559468
Energy: 1.0244779135096413
Energy: 1.1327295818053298
Energy: 1.1073980690926686
Energy: 1.153924153525574
Energy: 1.1073980690926686
Energy: 0.9138844571327018
Energy: 1.0513430943995792
Energy: 1.2681723339053401
Energy: 1.0513430943983753
Energy: 1.1311478349599637
Energy: 0.948849888171567
Energy: 1.0148041446259712
Energy: 0.948849888171567
Energy: 1.0685979995202237
Energy: 1.060366846704467
Energy: 0.938222414405984
Energy: 1.060366846704467
Energy: 1.079561433964831
Energy: 1.106562664403803
Energy: 1.0619504615333313
Energy: 1.1065626937733708
Energy: 1.0013269470572028
Energy: 1.0487755673300707
Energy: 1.0134539898630797
Energy: 1.0487755673324786
Energy: 0.9722396843676414
Energy: 1.1142253405225848
Energy: 0.9887366612762675
Energy: 1.1142253405237887
Energy: 1.0789873027427161
Energy: 1.2268465079901976
Energy: 0.9803279263503142
Energy: 1.2268465079889939
Energy: 0.9124772438261195
Energy: 1.262218130840361
Energy: 0.9360999792212763
Energy: 1.2622181308391571
Energy: 1.0453847527351439
Energy: 1.0364802693742436
Energy: 1.1156976939305052
Energy: 1.0364802693754473
Energy: 0.9124878813020147
Energy: 1.2621670812562615
Energy: 0.9935732101054014
Energy: 1.2621670812550576
Energy: 1.078966539088395
Energy: 1.2283291783011112
Energy: 0.9806856000659007
Energy: 1.2283291783011112
Energy: 0.9723903450415652
Energy: 1.1143912421751947
Energy: 0.9562295945120055
Energy: 1.1143912421751947
Energy: 1.0012856394142853
Energy: 1.0487645409023176
Energy: 1.0131100665040835
Energy: 1.0487645409023176
Energy: 1.0794770000751202
Energy: 1.10701819964483
Energy: 1.032028143819447
Energy: 1.1070181993849333
Energy: 1.0685726511494162
Energy: 1.0603924696956395
Energy: 0.9383087321498604
Energy: 1.0603924696860088
Energy: 1.1311610590052097
Energy: 0.9488432301506605
Energy: 1.0148056770106537
Energy: 0.9488432301518643

minimum gb energy = 0.9124772438261195 eV
minimum distance =  2.38036761290403 Angstroms
sigma value = 25


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

Energy: 0.9650892351983612
Energy: 1.159782623167286
Energy: 1.3586563103112457
Energy: 1.1597826231657973
Energy: 0.9466873710786106
Energy: 1.173158221634681
Energy: 0.9324987016087503
Energy: 1.173158221634681
Energy: 1.0638777133900157
Energy: 1.2957649416897483
Energy: 0.9329559771173576
Energy: 1.2957649416897483
Energy: 1.394156184500141
Energy: 1.1861275291289262
Energy: 1.1332976044569958
Energy: 1.1861275291289262
Energy: 1.1332895593286045
Energy: 1.0625018081596713
Energy: 1.0407306689367488
Energy: 1.0625018081596713
Energy: 0.9323284889984428
Energy: 1.2350769378989217
Energy: 1.3590676068007417
Energy: 1.2350769378989217
Energy: 1.041292448774168
Energy: 1.1470550314761487
Energy: 1.0634166184042142
Energy: 1.1470550314761487
Energy: 1.2535754573399915
Energy: 1.2073504010567497
Energy: 1.0178339816207702
Energy: 1.2073504010567497
Energy: 0.9329521321468085
Energy: 1.060757705514601
Energy: 1.0014408779306068
Energy: 1.060757705514601
Energy: 1.208396437114082
Energy: 1.2601831801725616
Energy: 1.0627571774711413
Energy: 1.2601831801710726
Energy: 0.9362281031194031
Energy: 1.2635182469199455
Energy: 1.3209995725753008
Energy: 1.2635182469199455
Energy: 1.0626229807970695
Energy: 1.0229616830140875
Energy: 1.1577273896471434
Energy: 1.0229616830140875
Energy: 1.1271275008747241
Energy: 1.2353322326439504
Energy: 0.9317200704563079
Energy: 1.2353322326439504
Energy: 1.0635600089618473
Energy: 1.1310281018185768
Energy: 1.0939323749065328
Energy: 1.1310281018185768
Energy: 1.0871893317839765
Energy: 1.1317147481399181
Energy: 1.2543374284608946
Energy: 1.1317147481399181
Energy: 1.0007488460164553
Energy: 1.2816871740796008
Energy: 0.9357001001087715
Energy: 1.2816871740810893
Energy: 1.0633593517061575
Energy: 1.026784462991163
Energy: 1.2068268833993698
Energy: 1.026784462992652

minimum gb energy = 0.9317200704563079 eV
minimum distance =  2.3642657187914 Angstroms
sigma value = 17


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

Energy: 1.0438400858955246
Energy: 1.3077124964805522
Energy: 1.396324615875795
Energy: 1.3077124964813955
Energy: 1.1256264955347373
Energy: 1.0841507016260041
Energy: 0.9544861085975175
Energy: 1.0841507016260041
Energy: 1.252944472437179
Energy: 1.250397556350221
Energy: 0.9544165859187044
Energy: 1.250397556351064
Energy: 1.0433735664934085
Energy: 1.258108776259482
Energy: 1.1366517017756108
Energy: 1.258108776259482
Energy: 1.1834453620146905
Energy: 1.1105281523628387
Energy: 1.1695800936874718
Energy: 1.1105281523628387
Energy: 0.9649918814395112
Energy: 1.0580164963538363
Energy: 1.4056793661869582
Energy: 1.058016496588971
Energy: 1.0610175111181037
Energy: 1.0655155815376014
Energy: 1.092431830865016
Energy: 1.0655155815384445
Energy: 1.2579449413072712
Energy: 1.0595014858063097
Energy: 0.9646086404671043
Energy: 1.0595014858071528
Energy: 1.0414696425705137
Energy: 1.2375508176422945
Energy: 1.2155418536086702
Energy: 1.2375508176422945
Energy: 1.3428850941242767
Energy: 1.1740826038063543
Energy: 1.0466382917352064
Energy: 1.1740826038055112
Energy: 0.9542727651972758
Energy: 1.1017141508314663
Energy: 1.4023590153949637
Energy: 1.101714150830623
Energy: 1.071944131655516
Energy: 1.0650505455390589
Energy: 1.1106402223915954
Energy: 1.0650505455399022
Energy: 1.3727917356367731
Energy: 1.0450467891024224
Energy: 1.049384525436672
Energy: 1.0450467891041089
Energy: 0.9545533528096436
Energy: 1.1623826600277674
Energy: 1.1662640360909795
Energy: 1.1623826600075307
Energy: 1.1126133549003192
Energy: 1.065565905219222
Energy: 1.0812969721424133
Energy: 1.065565905219222
Energy: 1.1621296087800084
Energy: 1.2540570963642292
Energy: 1.1642299743378657
Energy: 1.2540570963642292
Energy: 1.0596582342662995
Energy: 1.1511680417623427
Energy: 1.256015208445637
Energy: 1.1511680417614993
Energy: 1.370362378976574
Energy: 1.2887182184033625
Energy: 0.9649681308918949
Energy: 1.2887182184033625
Energy: 1.0356865806751117
Energy: 1.1808007055485206
Energy: 1.0253136045163294
Energy: 1.1808007055485206
Energy: 1.0719849891378295
Energy: 1.0584576507169254
Energy: 1.0698387006878667
Energy: 1.0584576507169254
Energy: 1.0585774216344896
Energy: 1.0941052104303395
Energy: 1.1620148265877723
Energy: 1.094105210436242
Energy: 1.034522893663587
Energy: 1.109285203477463
Energy: 1.2958011450062286
Energy: 1.109285203477463
Energy: 1.1724157081624538
Energy: 1.2344093910100924
Energy: 0.9517447069778551
Energy: 1.2344093910100924
Energy: 1.055090608147442
Energy: 1.182893617713149
Energy: 1.216386342757488
Energy: 1.1828936177123062
Energy: 1.0438560392779739
Energy: 1.3234892397035543
Energy: 1.218143488893274
Energy: 1.3234892397035543
Energy: 1.2832219727662675
Energy: 1.1021150368852803
Energy: 0.9531293257426446
Energy: 1.102115036870103
Energy: 0.9793365861980762
Energy: 1.2566644128628761
Energy: 1.3138076823332063
Energy: 1.2566644128628761
Energy: 1.162990048596555
Energy: 1.058390178892859
Energy: 1.1631770849466818
Energy: 1.0583901788768384
Energy: 1.2564931214918096
Energy: 1.1957596715344974
Energy: 1.0607223697334012
Energy: 1.1957596715344974
Energy: 0.9647039153187089
Energy: 1.1834729036081
Energy: 1.2223039600462018
Energy: 1.1834729036097862

minimum gb energy = 0.9517447069778551 eV
minimum distance =  2.27275974190111 Angstroms
sigma value = 53


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

Energy: 0.8986038873481533
Energy: 0.8984618819823048
Energy: 1.4716036401488848
Energy: 0.8984618819823048
Energy: 1.182576595872341
Energy: 1.2020153874893018
Energy: 0.9313531596456073
Energy: 1.2020153874893018
Energy: 0.9173059465533305
Energy: 0.9186220701450327
Energy: 0.909524929407981
Energy: 0.9186220701450327
Energy: 0.9173901000973678
Energy: 0.918280355916046
Energy: 0.9095339282587804
Energy: 0.918280355916046
Energy: 1.1825625776580644
Energy: 1.201961198763199
Energy: 0.9310184125530664
Energy: 1.201961198763199
Energy: 0.8986038873481533
Energy: 0.8984618819823048
Energy: 1.6407346259443871
Energy: 0.8984618819823048
Energy: 1.182576595872341
Energy: 1.2020153874893018
Energy: 0.93135294149735
Energy: 1.2020153874893018
Energy: 0.9173059465533305
Energy: 0.9186220701450327
Energy: 0.909524929407981
Energy: 0.9186220701450327
Energy: 0.9173901000973678
Energy: 0.9182803558966344
Energy: 1.0285870971993882
Energy: 0.9182803558966344
Energy: 1.1825625776580644
Energy: 1.201961198763199
Energy: 0.9310184050615385
Energy: 1.201961198763199
Energy: 0.8986038873481533
Energy: 0.8984618819823048
Energy: 1.8055685068503196
Energy: 0.8984618819823048
Energy: 1.182576595872341
Energy: 1.2020153874893018
Energy: 1.0661006482607749
Energy: 1.2020153874893018
Energy: 0.9173059465533305
Energy: 0.918622070146974
Energy: 0.909524929407981
Energy: 0.918622070146974

minimum gb energy = 0.8984618819823048 eV
minimum distance =  2.34277783766954 Angstroms
sigma value = 9


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

Energy: 0.9906217818215097
Energy: 1.3351527371581131
Energy: 1.4839863526748545
Energy: 1.3351527371581131
Energy: 1.3219048664497186
Energy: 1.103207100863849
Energy: 1.0711782825935983
Energy: 1.1032071008631308
Energy: 1.2074491030409757
Energy: 1.198447383856665
Energy: 1.0117917350961625
Energy: 1.198447383856665
Energy: 1.4272938392398462
Energy: 1.2797421294733626
Energy: 1.0955823268759373
Energy: 1.2797421294733626
Energy: 1.3577264576151487
Energy: 1.0377413243043345
Energy: 1.0589015848044718
Energy: 1.0377413243043345
Energy: 0.9794390816915015
Energy: 0.9793718627695669
Energy: 1.4737825132231972
Energy: 0.9793718627688485
Energy: 1.4849517050019394
Energy: 1.3928414109154046
Energy: 1.0568317411512278
Energy: 1.3928414109146858
Energy: 1.208477425029027
Energy: 1.3168670102973343
Energy: 1.2563745094427996
Energy: 1.3168670102973343
Energy: 1.2142520212483434
Energy: 1.3645402672765155
Energy: 0.9883302212806488
Energy: 1.3645402672757971
Energy: 1.060265498948327
Energy: 1.0820578580208033
Energy: 1.043752314867671
Energy: 1.0820578580215219
Energy: 1.115742573631162
Energy: 1.3543894872565352
Energy: 1.4416546621783064
Energy: 1.3543894872565352
Energy: 1.3173656356036636
Energy: 1.3299038611106806
Energy: 1.0229772589422674
Energy: 1.3299038611106806
Energy: 1.0735047019588366
Energy: 1.0856674940080768
Energy: 1.349174679720924
Energy: 1.0856674939923032
Energy: 1.426759113300013
Energy: 1.3034843696463654
Energy: 0.9940035567896192
Energy: 1.3034843696463654
Energy: 1.059187785766746
Energy: 1.2298709653918163
Energy: 1.23258143419026
Energy: 1.2298709653925348
Energy: 1.0411751810931857
Energy: 1.2882333269870911
Energy: 1.248610020244763
Energy: 1.2882333269870911
Energy: 1.1463596324697591
Energy: 1.2305732042284132
Energy: 1.0593367483157223
Energy: 1.230573204232724
Energy: 1.1038797504698905
Energy: 1.0345568400416272
Energy: 1.2721774312272809
Energy: 1.0345568400409086
Energy: 1.4697827916996788
Energy: 1.1718813407391855
Energy: 0.9823312807653213
Energy: 1.171881340738467
Energy: 1.0179158846486889
Energy: 1.1110002494671112
Energy: 1.2246536376073769
Energy: 1.1110002494663929
Energy: 1.259341814983293
Energy: 1.368963326994225
Energy: 1.2576950588260896
Energy: 1.368963326994225
Energy: 1.139347631914512
Energy: 1.1569646170573407
Energy: 1.0573146408492433
Energy: 1.1569646170573407
Energy: 0.988281630768157
Energy: 1.1713956409532051
Energy: 1.1426760753030565
Energy: 1.1713956409539237
Energy: 1.4375182237301667
Energy: 1.22340921255764
Energy: 1.1133718302424176
Energy: 1.22340921255764
Energy: 1.056167873811238
Energy: 1.2945749127682793
Energy: 1.40287133421904
Energy: 1.2945749127682793
Energy: 1.1897945491774355
Energy: 0.979293353870746
Energy: 1.1106951620061476
Energy: 0.9792933538700275
Energy: 1.1328382020656125
Energy: 1.2322312236025499
Energy: 1.2729634946337978
Energy: 1.2322312236025499
Energy: 0.995647129998535
Energy: 1.2637207244081365
Energy: 1.2666080148394299
Energy: 1.263720724408855
Energy: 1.1292020119794979
Energy: 0.9803288074961672
Energy: 1.1093175933198984
Energy: 0.9803288074932934
Energy: 1.0230472615664097
Energy: 1.3980658056481057
Energy: 1.4089706608930437
Energy: 1.3980658056481057
Energy: 1.358842707112527
Energy: 1.35254169620907
Energy: 1.1125317733878057
Energy: 1.35254169620907
Energy: 0.9791200065657678
Energy: 1.036354129989116
Energy: 1.142159166962949
Energy: 1.0363541299898344
Energy: 0.9802819490018406
Energy: 1.156266838248726
Energy: 1.2063652805988239
Energy: 1.156266838250163
Energy: 1.261573903763838
Energy: 1.288985946904073
Energy: 1.255612364163307
Energy: 1.288985946904073
Energy: 1.0504096607376765
Energy: 1.2153214600830466
Energy: 1.4890596469437716
Energy: 1.2153214600830466

minimum gb energy = 0.9791200065657678 eV
minimum distance =  2.30170389277909 Angstroms
sigma value = 73


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

Energy: 1.0532084708007403
Energy: 1.074297142698927
Energy: 1.4898500088273992
Energy: 1.074297142709186
Energy: 1.2544390865293746
Energy: 1.2029480045378553
Energy: 1.0530755592706678
Energy: 1.2029480045378553
Energy: 1.0996998857909261
Energy: 1.0572374435180347
Energy: 1.005007207032352
Energy: 1.0572374435180347
Energy: 1.2513336987330612
Energy: 1.1446250593277936
Energy: 1.1667409941436926
Energy: 1.1446250593277936
Energy: 1.1321919403083556
Energy: 1.1245931709339745
Energy: 1.0651335459305116
Energy: 1.1245931709339745
Energy: 1.1557233223852768
Energy: 1.00823220612342
Energy: 1.4093600119918548
Energy: 1.00823220612342
Energy: 1.494043348241648
Energy: 1.268416160573266
Energy: 1.1024729654357428
Energy: 1.268416160573266
Energy: 1.0849840790799166
Energy: 1.2019650380185263
Energy: 1.337566324592663
Energy: 1.2019650380185263
Energy: 1.4200875081108373
Energy: 0.9802229635404532
Energy: 0.980522917796439
Energy: 0.9802229635415932
Energy: 1.0586252978552249
Energy: 1.1657008995229587
Energy: 0.9807643775218788
Energy: 1.1657008995240983
Energy: 1.0794940553711083
Energy: 1.0568733170710192
Energy: 1.3780828094581767
Energy: 1.0568733170710192
Energy: 1.2789884959217659
Energy: 1.171007811886873
Energy: 1.069700841219571
Energy: 1.1710078118857332
Energy: 1.1173257275359805
Energy: 1.1885427907060409
Energy: 1.286572258764084
Energy: 1.1885427907060409
Energy: 1.379419020699738
Energy: 1.1708741455592178
Energy: 1.1408271475076601
Energy: 1.1708741455603577
Energy: 1.055367891951662
Energy: 1.261973628098863
Energy: 1.384670524068675
Energy: 1.261973628098863
Energy: 1.3335750463959744
Energy: 1.1907238062074639
Energy: 1.0525205289059778
Energy: 1.1907238062074639
Energy: 1.052634892454873
Energy: 1.1164172317945573
Energy: 1.0997774549999364
Energy: 1.116417231795697
Energy: 1.051927103568963
Energy: 1.0521712392917038
Energy: 1.1051119738109367
Energy: 1.0521712393167555
Energy: 1.161421504293512
Energy: 0.9798320001083225
Energy: 1.1433629615978569
Energy: 0.9798320001083225
Energy: 1.0606122034276653
Energy: 1.3766955260976546
Energy: 1.4553384663863875
Energy: 1.3766955260976546
Energy: 1.3829709949400488
Energy: 1.1423382509704512
Energy: 1.1548786110383291
Energy: 1.1423382509715911
Energy: 1.1252254170926201
Energy: 1.1131521941966687
Energy: 1.4164773347887996
Energy: 1.1131521941966687

minimum gb energy = 0.9798320001083225 eV
minimum distance =  2.30885589806693 Angstroms
sigma value = 7


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

Energy: 1.0512849024028716
Energy: 1.066340737886039
Energy: 1.4905594648070264
Energy: 1.066340737886845
Energy: 1.5286423795104227
Energy: 1.138526247710126
Energy: 1.115960296092773
Energy: 1.138526247710126
Energy: 1.0860111011182232
Energy: 1.1642992069253157
Energy: 1.011630412183934
Energy: 1.1642992069269278
Energy: 1.3149093741162905
Energy: 1.119448227354706
Energy: 1.1068372069996788
Energy: 1.1194482273522877
Energy: 1.1085077470484994
Energy: 1.1409618187764017
Energy: 1.0468941251067925
Energy: 1.1409618187747894
Energy: 1.0835210667344697
Energy: 1.0563331936511402
Energy: 1.3827485944587292
Energy: 1.056333193652752
Energy: 1.3503200683520353
Energy: 1.1549833988465985
Energy: 1.1219571391443295
Energy: 1.1549833988522407
Energy: 1.0801947770533333
Energy: 1.00088770787777
Energy: 1.4696912235336903
Energy: 1.000887707876158
Energy: 1.3180669488533976
Energy: 1.136647035991544
Energy: 1.1013976841260333
Energy: 1.1366470359907377
Energy: 1.071143924131245
Energy: 1.1800407809000297
Energy: 1.4041184688055761
Energy: 1.1800407809000297
Energy: 1.0784878097527049
Energy: 1.1927933731012532
Energy: 1.1625799005757287
Energy: 1.1927933731012532
Energy: 1.0025719006086202
Energy: 1.173092986170492
Energy: 1.1166163873230741
Energy: 1.173092986170492
Energy: 1.0101653858524833
Energy: 1.067540062460222
Energy: 1.2522840673163813
Energy: 1.0675400624489375
Energy: 1.19756790201384
Energy: 0.9969822728306424
Energy: 1.2011888915107187
Energy: 0.9969822728306424
Energy: 1.0652424956376216
Energy: 1.296082077217303
Energy: 1.3752877185254309
Energy: 1.296082077220527
Energy: 1.4198374656185742
Energy: 1.060110930418439
Energy: 1.1135763150232834
Energy: 1.0601109302581135
Energy: 1.0520695098868376
Energy: 1.0899091916991768
Energy: 1.3115558784349304
Energy: 1.089909191700789
Energy: 1.0147811813586476
Energy: 1.0696715595340391
Energy: 1.117199540828621
Energy: 1.069671559532427
Energy: 1.0522946860419031
Energy: 1.1021275366979406
Energy: 1.1505972942198825
Energy: 1.1021275366987464
Energy: 1.0603406497959178
Energy: 1.134410403550123
Energy: 1.190147731289639
Energy: 1.134410403550123
Energy: 1.129255886990521
Energy: 1.207488400079443
Energy: 1.0864974449637788
Energy: 1.2074884000802488
Energy: 1.1114851575557805
Energy: 1.186517997001048
Energy: 1.3049946245480524
Energy: 1.1865179970026598
Energy: 1.3993079571647051
Energy: 1.1160869455606441
Energy: 1.0993119188230562
Energy: 1.1160869455630622
Energy: 1.0549390809595145
Energy: 1.0515104766725711
Energy: 1.5218865954391112
Energy: 1.0515104766331125
Energy: 1.2826883583677429
Energy: 1.1577083330044142
Energy: 1.0311249526887043
Energy: 1.1577083330044142
Energy: 1.1696730334543963
Energy: 1.1617934863712989
Energy: 1.0795866341272837
Energy: 1.1617934863721047
Energy: 1.0734754573915335
Energy: 1.1484355570824576
Energy: 1.0924534260133596
Energy: 1.1484355570816516
Energy: 1.2927641876059726
Energy: 1.1190603026652075
Energy: 1.085798241710474
Energy: 1.1190603026660138
Energy: 1.0819856630259252
Energy: 1.000567837942539
Energy: 1.2941061349209309
Energy: 1.0005678379401575
Energy: 1.360602651952528
Energy: 1.2370734298430868
Energy: 1.1303624430319665
Energy: 1.2370734298446988
Energy: 1.0603368219694456
Energy: 1.0006273525537126
Energy: 1.220034933018018
Energy: 1.0006273525521006

minimum gb energy = 0.9969822728306424 eV
minimum distance =  2.29376775155884 Angstroms
sigma value = 29


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

Energy: 0.9428588599118127
Energy: 0.9423441730932216
Energy: 1.5027098180543381
Energy: 0.942344173092972
Energy: 1.406119544577112
Energy: 1.1741708052346898
Energy: 0.940766912525756
Energy: 1.1741708052346898
Energy: 1.1107408134392023
Energy: 1.126861374364033
Energy: 1.1602095488109343
Energy: 1.1268613743645945
Energy: 0.9410282602861492
Energy: 0.9130116968517596
Energy: 1.1734653154733614
Energy: 0.9130116968509486
Energy: 0.9434760159378316
Energy: 0.91367139551601
Energy: 0.9417249159932689
Energy: 0.9136713955162907
Energy: 1.1715262444494585
Energy: 0.9923140112364256
Energy: 1.171496446706917
Energy: 0.9923140112361447
Energy: 0.9416630090408316
Energy: 0.9131492520948606
Energy: 0.943456263888376
Energy: 0.9131492520912731
Energy: 1.1748734630570339
Energy: 0.9133164770988459
Energy: 0.9407959263441078
Energy: 0.9133164770991266
Energy: 1.1600489513095498
Energy: 1.12686223867682
Energy: 1.2021433322343775
Energy: 1.1268622386765392

minimum gb energy = 0.9130116968509486 eV
minimum distance =  2.33641572908311 Angstroms
sigma value = 5


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

Energy: 0.9386413402615599
Energy: 0.9453822692875801
Energy: 1.5045751640318594
Energy: 0.9453822692875801
Energy: 1.1314840315270807
Energy: 1.2308049493899034
Energy: 0.9552213715024855
Energy: 1.2308049492757296
Energy: 0.923950031320556
Energy: 1.0361693285904463
Energy: 1.1722328584404405
Energy: 1.0361693285904463
Energy: 0.9936332969901911
Energy: 0.9922104161400712
Energy: 0.9265680112187091
Energy: 0.9922104161400712
Energy: 0.9367137614838631
Energy: 0.9974393716435875
Energy: 1.1425339021400822
Energy: 0.9974393716443489
Energy: 1.0931007338414018
Energy: 1.0398360092193926
Energy: 0.9243458170737504
Energy: 1.0398360092209156
Energy: 0.9209283745302232
Energy: 0.9952915737034032
Energy: 0.9171606494408961
Energy: 0.9952915737041645
Energy: 0.9203132975156106
Energy: 0.9466155413376112
Energy: 0.937617922578673
Energy: 0.9466155413383726
Energy: 0.9236206977356566
Energy: 0.9957779299765075
Energy: 0.9649327195530797
Energy: 0.9957779299765075
Energy: 0.9233226763040725
Energy: 0.9957695382618131
Energy: 0.9241835606924255
Energy: 0.9957695382618131
Energy: 0.9955192895107481
Energy: 1.17238568218254
Energy: 0.9259742126232119
Energy: 1.1723856821817784
Energy: 0.9573215695176316
Energy: 0.9346253310218647
Energy: 0.9446782896056769
Energy: 0.9346253310233875
Energy: 1.0691902485686826
Energy: 0.9454877654575892
Energy: 0.9491292052375918
Energy: 0.9454877654575892
Energy: 0.9357428749470158
Energy: 1.2449274235284193
Energy: 1.2502606305535728
Energy: 1.2449274235307035
Energy: 1.491060357338235
Energy: 1.1827285061779127
Energy: 0.9253943640527739
Energy: 1.1827285061771513
Energy: 0.9251101098780392
Energy: 0.9417533606812828
Energy: 1.2138427295624925
Energy: 0.9417533606812828
Energy: 1.1357823403734075
Energy: 0.934877744732654
Energy: 0.9376987583692472
Energy: 0.9348777447341768
Energy: 0.927657973015969
Energy: 1.040260205975329
Energy: 1.3154412212791393
Energy: 1.0402602059745674
Energy: 0.922366942518181
Energy: 0.9960111064657668
Energy: 0.9257660996549383
Energy: 0.9960111064657668
Energy: 0.9344766096068123
Energy: 1.1313805985360843
Energy: 0.932556124950115
Energy: 1.131380598584017
Energy: 0.9423024107502856
Energy: 0.9910523290007335
Energy: 0.9286950129954681
Energy: 0.9910523290007335
Energy: 0.9601153067223744
Energy: 0.9957975287999871
Energy: 0.9234670815296026
Energy: 0.9957975287999871
Energy: 0.9278876972817252
Energy: 1.1712174701587819
Energy: 0.968533051301505
Energy: 1.1712174701580205
Energy: 0.9455961757114791
Energy: 0.9497030379087125
Energy: 0.9572247104954442
Energy: 0.9497030379087125
Energy: 0.9517357005197649
Energy: 0.9405547892207979
Energy: 0.9565967767845919
Energy: 0.9405547892147068
Energy: 0.9647946524864411
Energy: 0.9458191239460374
Energy: 0.9388143314725433
Energy: 0.9458191239467987
Energy: 0.9281645568846518
Energy: 0.918517248402343
Energy: 1.0734179323081148
Energy: 0.918517248402343
Energy: 1.22616510448083
Energy: 1.1451004237302458
Energy: 0.9250256965466201
Energy: 1.14510042373253
Energy: 0.9313163676513199
Energy: 1.0774349623669033
Energy: 1.255891239682011
Energy: 1.0774349623577666
Energy: 1.3130861048354583
Energy: 1.0410833949954754
Energy: 0.9276210068197619
Energy: 1.041083394994714
Energy: 0.9223423052152563
Energy: 0.9317986376471816
Energy: 1.2953761541138833
Energy: 0.9317986376471816
Energy: 1.1347915888733306
Energy: 1.0035343188175023
Energy: 0.9316362307812692
Energy: 1.0035343188182637
Energy: 0.9266570240014808
Energy: 1.1428086525536665
Energy: 1.0117980513596971
Energy: 1.1428086525551893

minimum gb energy = 0.9171606494408961 eV
minimum distance =  2.27468591275615 Angstroms
sigma value = 1


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

Energy: 0.9070628311875665
Energy: 0.9067334605061548
Energy: 1.5459827800167785
Energy: 0.9067334605061548
Energy: 1.2608511150396458
Energy: 1.0857630764485209
Energy: 0.8944131436291507
Energy: 1.085763076447468
Energy: 0.8812646277016973
Energy: 0.9065096793932177
Energy: 1.0421704007063115
Energy: 0.906509679396376
Energy: 0.9390288792277882
Energy: 0.973905792566
Energy: 0.8851469903603274
Energy: 0.9739057925649471
Energy: 0.8956942697320565
Energy: 0.9039941491324746
Energy: 1.1513985109608325
Energy: 0.9039941491335272
Energy: 0.8929709759095497
Energy: 1.1773135619730568
Energy: 0.8835941171006948
Energy: 1.1773135619709514
Energy: 0.881914726854012
Energy: 0.9931441450258025
Energy: 0.9055439568515389
Energy: 0.9931441450268552
Energy: 0.8817785843878675
Energy: 0.9088086287912137
Energy: 0.9243177529549895
Energy: 0.908808628790161
Energy: 0.9067095674555344
Energy: 0.9057178955889416
Energy: 0.9651359326505033
Energy: 0.9057178955899943
Energy: 0.9063038601835219
Energy: 0.9059275819027083
Energy: 0.9673447018303659
Energy: 0.9059275819048138
Energy: 0.8817789523144014
Energy: 0.9092410310968814
Energy: 0.9138112835892751
Energy: 0.9092410310979342
Energy: 0.8817955968847622
Energy: 0.9931350736914876
Energy: 0.9060413506398038
Energy: 0.9931350736914876
Energy: 0.8927452031520395
Energy: 1.1772116827383226
Energy: 0.8835354153204089
Energy: 1.1772116827404278
Energy: 0.8956560462301139
Energy: 0.9038887427054323
Energy: 1.1505527166493996
Energy: 0.9038887427054323
Energy: 0.9392595790152799
Energy: 0.9738562595135222
Energy: 0.8848875584015296
Energy: 0.9738562595114166
Energy: 0.8812557729522771
Energy: 0.9065297269977324
Energy: 1.2106587225134458
Energy: 0.9065297269977324
Energy: 1.260906797207081
Energy: 1.0860097605246999
Energy: 0.8940479856005121
Energy: 1.0860097605246999
Energy: 0.9070628311875665
Energy: 0.9067334605029964
Energy: 1.258928121596794
Energy: 0.9067334605040492
Energy: 1.2608511150396458
Energy: 1.0857630764485209
Energy: 0.8944131436302035
Energy: 1.0857630764485209
Energy: 0.8812646277016973
Energy: 0.9065096794174068
Energy: 1.3222302686555134
Energy: 0.9065096794069034
Energy: 0.9390288792183136
Energy: 0.9739057925649471
Energy: 0.8851469903603274
Energy: 0.9739057925638944
Energy: 0.8956942697310037
Energy: 0.9039941491714021
Energy: 1.1447015357263712
Energy: 0.9039941491703494
Energy: 0.8929709759095497
Energy: 1.1773135619709514
Energy: 0.8835941171006948
Energy: 1.177313561972004
Energy: 0.881914726854012
Energy: 0.9931441450258025
Energy: 0.890475794785376
Energy: 0.9931441450268552

minimum gb energy = 0.8812557729522771 eV
minimum distance =  2.30547518100646 Angstroms
sigma value = 17


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

Energy: 0.9013613270607508
Energy: 0.90085421545053
Energy: 1.5027736298834136
Energy: 0.90085421545053
Energy: 1.0792764475702414
Energy: 0.8939752200070705
Energy: 0.8840385287008478
Energy: 0.8939752200077212
Energy: 0.8815654273105832
Energy: 0.9796947451544582
Energy: 1.1106526020460654
Energy: 0.9796947451538075
Energy: 1.0108157351572182
Energy: 1.0777690196250158
Energy: 0.8799267141902721
Energy: 1.0777690196243652
Energy: 0.8824978668329801
Energy: 0.8986275368948782
Energy: 1.1928227979099886
Energy: 0.8986275368851181
Energy: 0.9444782873571147
Energy: 1.2440148417207961
Energy: 0.8883509262923334
Energy: 1.2440148417207961
Energy: 0.8995504416075265
Energy: 1.0932250996462074
Energy: 0.8926334212885056
Energy: 1.0932250996462074
Energy: 0.8801145850582819
Energy: 1.1110997624002168
Energy: 0.8808853790025771
Energy: 1.1110997624002168
Energy: 0.9038268893919261
Energy: 1.1103100576117746
Energy: 0.930976427860395
Energy: 1.1103100576104732
Energy: 0.905257359746248
Energy: 1.112378355385525
Energy: 0.8903771130676339
Energy: 1.1123783553848743
Energy: 0.886290615541535
Energy: 1.097399078090418
Energy: 0.8887325210808041
Energy: 1.0973990780910685
Energy: 0.8872131399516796
Energy: 0.942224684055134
Energy: 0.8755302296242281
Energy: 0.9422246840564354
Energy: 0.8902838697978213
Energy: 1.1057314790115444
Energy: 0.8827022103392699
Energy: 1.1057314790115444
Energy: 0.8992685674482386
Energy: 1.10512704797201
Energy: 0.9011344502075926
Energy: 1.1051270479726605
Energy: 0.8963445819638329
Energy: 1.1156403935480401
Energy: 0.9088933368065645
Energy: 1.1156403935480401
Energy: 0.8869646916155496
Energy: 0.8947196292160842
Energy: 1.189553401706871
Energy: 0.8947196292160842
Energy: 0.8835383929480835
Energy: 1.0816900008277612
Energy: 0.8847526563538649
Energy: 1.081690000828412
Energy: 0.876650743968167
Energy: 0.9870706289641313
Energy: 1.0822560729281392
Energy: 0.987070628964782
Energy: 1.4302411333239329
Energy: 1.008776588993839
Energy: 0.8839256518335261
Energy: 1.0087765782142624
Energy: 0.885358532292271
Energy: 0.8926240044206338
Energy: 1.0948911661517553
Energy: 0.8926240044199831
Energy: 1.3663789768709238
Energy: 0.8881744628703641
Energy: 0.8975293327831736
Energy: 0.8881744628703641
Energy: 0.8971522172393163
Energy: 0.9892519511281698
Energy: 1.2421092190556087
Energy: 0.9892519511275191
Energy: 0.9897616867485536
Energy: 1.0869244834779275
Energy: 0.886456981382814
Energy: 1.0869244834779275
Energy: 0.8840339788888203
Energy: 0.887686386691146
Energy: 1.1353522942390164
Energy: 0.8876863866937487
Energy: 0.9483242418184403
Energy: 0.9868813734872346
Energy: 0.8783144980145705
Energy: 0.986881373488536
Energy: 0.885087704913151
Energy: 0.9599468578222371
Energy: 0.8830969923816591
Energy: 0.9599468578215864
Energy: 1.0745806761114647
Energy: 1.1096383486988506
Energy: 0.8883311916116485
Energy: 1.1096383487651607
Energy: 0.9127719454541187
Energy: 1.115825534832488
Energy: 0.8964725526242698
Energy: 1.115825534831837
Energy: 0.9011705144282142
Energy: 1.1052216605774783
Energy: 0.9012735281709483
Energy: 1.105221660578129
Energy: 0.8845381067895017
Energy: 1.1060200938859557
Energy: 0.9059832708642653
Energy: 1.106020093885305
Energy: 0.8751440722123165
Energy: 0.9569620834620495
Energy: 0.8762936014921497
Energy: 0.9569620834613989
Energy: 0.8862071140437469
Energy: 1.096580463127195
Energy: 0.8835608459027453
Energy: 1.096580463127195
Energy: 0.8882220313859912
Energy: 1.1135212522961808
Energy: 1.0863207937130614
Energy: 1.1135212522948794
Energy: 0.9328861803076111
Energy: 1.127597023906887
Energy: 0.8910339840519184
Energy: 1.1275970239081885
Energy: 0.8796960624151783
Energy: 0.9868715268455511
Energy: 0.9073686003445068
Energy: 0.9868715268481538
Energy: 0.8927912285204802
Energy: 1.093740385696712
Energy: 0.9000763648310858
Energy: 1.093740385696712
Energy: 0.8866263078682144
Energy: 1.2384050217431468
Energy: 0.9447209526365558
Energy: 1.238405021742496
Energy: 1.1919884702991326
Energy: 0.899482520894199
Energy: 0.8853850332120614
Energy: 0.899482520879884

minimum gb energy = 0.8751440722123165 eV
minimum distance =  2.30466664842015 Angstroms
sigma value = 89


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

Energy: 0.8002611027105547
Energy: 0.8012492871462809
Energy: 1.5217167357820411
Energy: 0.8012492871462809
Energy: 0.8016487980995322
Energy: 0.8225051468469953
Energy: 0.8119854607531967
Energy: 0.8225051468469953
Energy: 0.810244553659397
Energy: 1.2085676320258163
Energy: 1.472530002613978
Energy: 1.2085676320258163
Energy: 0.8635670433986591
Energy: 0.8222013107166274
Energy: 0.812124001362392
Energy: 0.82220131071833
Energy: 0.8097653643756255
Energy: 1.149449296617657
Energy: 1.1482726885297772
Energy: 1.149449296617657
Energy: 0.8097598919043847
Energy: 0.8008195283765492
Energy: 0.8029090303563973
Energy: 0.8008195283765492
Energy: 0.8104608253147103
Energy: 0.9428873466854919
Energy: 0.8004885750502913
Energy: 0.9428873466854919
Energy: 0.8305129135127333
Energy: 1.2074500517968554
Energy: 0.8119859581753972
Energy: 1.2074500517968554
Energy: 0.8110441711403925
Energy: 0.8861942669419283
Energy: 0.8300490750513638
Energy: 0.8861942669402257
Energy: 0.821660458249185
Energy: 1.1492612281487724
Energy: 0.8104662765497203
Energy: 1.1492612281487724
Energy: 0.7999268869897805
Energy: 0.82280742847068
Energy: 0.8096005340998357
Energy: 0.82280742847068
Energy: 0.8001598493765065
Energy: 0.9440815781303854
Energy: 0.8120699813802724
Energy: 0.9440815781303854
Energy: 0.811154632582211
Energy: 1.1508294745921959
Energy: 0.8231418007021348
Energy: 1.1508294745921959
Energy: 0.8111299465792957
Energy: 0.8835722348797906
Energy: 0.8097324746868725
Energy: 0.8835722348797906
Energy: 0.8321605485588799
Energy: 1.1508464917429422
Energy: 0.8110834221372114
Energy: 1.1508464917429422

minimum gb energy = 0.7999268869897805 eV
minimum distance =  2.29187482271611 Angstroms
sigma value = 13


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

Energy: 0.7993585013668102
Energy: 1.0126895975542003
Energy: 1.473537104330512
Energy: 1.0126895975591954
Energy: 1.2656487448393856
Energy: 1.025445934544795
Energy: 0.7741532226174572
Energy: 1.0254459345440814
Energy: 0.7783862794089514
Energy: 1.034817240992785
Energy: 0.9714621397761244
Energy: 1.034817240992785
Energy: 0.7743849442598437
Energy: 1.0253906646725541
Energy: 0.7720887827704305
Energy: 1.0253906646725541
Energy: 0.7852064500647407
Energy: 1.1980590404217795
Energy: 0.8201608450698866
Energy: 1.1980590404203524
Energy: 0.7740616523842655
Energy: 0.9086803195570591
Energy: 0.7834074604458099
Energy: 0.9086803195584863
Energy: 0.7829466081481622
Energy: 1.0190799774878407
Energy: 1.1931792575527178
Energy: 1.0190799775691897
Energy: 0.7759899210241734
Energy: 1.0460410737262933
Energy: 0.7836518107386249
Energy: 1.046041073728434
Energy: 0.7829486938337943
Energy: 0.9564617565166819
Energy: 0.992488565325017
Energy: 0.9564617565173956
Energy: 0.9509643669569368
Energy: 1.246119163574616
Energy: 0.7719817208751998
Energy: 1.2461191635767568
Energy: 0.7844660643010032
Energy: 1.0148138548129875
Energy: 0.7737585805598736
Energy: 1.0148138548137011
Energy: 1.0554255897092018
Energy: 1.2295263419467464
Energy: 0.7779021077051537
Energy: 1.2295263419467464
Energy: 0.8076197600299864
Energy: 0.7868961150601641
Energy: 0.7966096755792056
Energy: 0.7868961150608776
Energy: 1.0485903529450558
Energy: 0.9660338055611244
Energy: 0.7779353567283631
Energy: 0.966033805560411
Energy: 0.7850736549361664
Energy: 0.917585427350954
Energy: 0.7808347225037447
Energy: 0.917585427350954
Energy: 0.7728120171382302
Energy: 0.9663497837509567
Energy: 0.7793359469600997
Energy: 0.9663497837530974
Energy: 0.7826338496502835
Energy: 1.124957230620735
Energy: 0.7792140238318123
Energy: 1.124957230616453
Energy: 0.8043252678833985
Energy: 0.8369834251390706
Energy: 0.7919579698912559
Energy: 0.8369834251383569
Energy: 0.7833294611455286
Energy: 1.096965084268959
Energy: 0.7919662322702783
Energy: 1.0969650842682455
Energy: 0.7830413973158029
Energy: 1.0976326158947596
Energy: 0.792704326180714
Energy: 1.0976326158947596
Energy: 0.8044888077716926
Energy: 0.8374308794182257
Energy: 0.7922470842755899
Energy: 0.8374308794160851
Energy: 0.7826978601430687
Energy: 1.1248905595700511
Energy: 0.7792079769576761
Energy: 1.124890559568624
Energy: 0.7731443433493319
Energy: 0.9664893277292776
Energy: 0.7795461890451277
Energy: 0.9664893277299912
Energy: 0.7845620757095231
Energy: 0.9182301888260953
Energy: 0.7876291262063182
Energy: 0.9182301886770207
Energy: 1.0494107572549558
Energy: 0.9663329518313072
Energy: 0.777848985240582
Energy: 0.9663329518320207
Energy: 0.8078609147021252
Energy: 0.7870761058210629
Energy: 0.7968312268320792
Energy: 0.7870761058210629
Energy: 1.055343265458054
Energy: 1.2296744228243106
Energy: 0.777108664642584
Energy: 1.229674422822883
Energy: 0.7834605132275757
Energy: 1.015086301363211
Energy: 0.7731487659739462
Energy: 1.015086301363211
Energy: 0.9512533455341192
Energy: 1.2461808506112433
Energy: 0.7719296927008762
Energy: 1.2461808506162382
Energy: 0.7860506538738746
Energy: 0.9564162124363399
Energy: 1.068791733451065
Energy: 0.9564162124249226
Energy: 0.7751735495170666
Energy: 1.0461129536521991
Energy: 0.7836174010782477
Energy: 1.0461129536514855
Energy: 0.7826064864335577
Energy: 1.0191095027457502
Energy: 1.1930872036094684
Energy: 1.0191095027471775
Energy: 0.7733557366798883
Energy: 0.9092349352503324
Energy: 0.783680954639858
Energy: 0.9092349352489051
Energy: 0.7847500071919824
Energy: 1.2348327521369997
Energy: 0.8156038033343175
Energy: 1.2348327521377134
Energy: 0.7738952479343865
Energy: 1.0261521092901493
Energy: 0.7720942995882452
Energy: 1.0261521092865813

minimum gb energy = 0.7719296927008762 eV
minimum distance =  2.28733011852834 Angstroms
sigma value = 37


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

Energy: 0.8416340024663065
Energy: 0.8410234559056686
Energy: 1.4138976104738255
Energy: 0.8410234559056686
Energy: 1.2815504406969151
Energy: 0.9248868299817644
Energy: 0.7166684320218469
Energy: 0.9248868299817644
Energy: 0.8057820387080928
Energy: 1.1534679646570396
Energy: 1.0094940928403802
Energy: 1.1534679646582675
Energy: 0.8074634813860487
Energy: 0.8312820039629687
Energy: 0.717327020424648
Energy: 0.8312820039629687
Energy: 0.7164494379739283
Energy: 0.9254482139375395
Energy: 0.8815627718126895
Energy: 0.9254482139363118
Energy: 0.7220346967456633
Energy: 1.025628122395822
Energy: 0.8083803119599385
Energy: 1.025628122395822
Energy: 0.7069922819922847
Energy: 1.1388272464110925
Energy: 1.047139342396411
Energy: 1.1388272464110925
Energy: 0.7062743726604139
Energy: 0.7332574428690628
Energy: 0.7353512595223628
Energy: 0.7332574428690628
Energy: 0.7173469463142748
Energy: 0.9254203293013191
Energy: 1.053299513222519
Energy: 0.9254203293000913
Energy: 1.0146638862136812
Energy: 1.154727985175913
Energy: 0.8083066025590033
Energy: 1.154727985175913
Energy: 0.7166640549082216
Energy: 1.0692801696697822
Energy: 0.8073435802310335
Energy: 1.0692801696685545
Energy: 0.964676729243165
Energy: 1.0277222849387555
Energy: 0.7172543211393638
Energy: 1.0277222849387555
Energy: 0.811334178620974
Energy: 1.1421478492103971
Energy: 0.7221631069938462
Energy: 1.1421478492103971
Energy: 1.0493298513625304
Energy: 1.14030342556022
Energy: 0.7054625944974906
Energy: 1.14030342556022
Energy: 0.8407011309044646
Energy: 0.8604364496448955
Energy: 0.7056125198903058
Energy: 0.8604364496461234
Energy: 0.8411878322073923
Energy: 1.027580425199226
Energy: 0.7159999257583591
Energy: 1.027580425199226
Energy: 0.8115377194950303
Energy: 0.9535927186197201
Energy: 0.7211394825210994
Energy: 0.9535927186197201
Energy: 0.8064183781501453
Energy: 1.182777667018745
Energy: 0.7161927577315523
Energy: 1.182777667018745
Energy: 0.7166908040883746
Energy: 1.0285449327998082
Energy: 0.7165103346187851
Energy: 1.0285449327985805
Energy: 0.715969805256969
Energy: 1.1721281118461453
Energy: 0.8061048760870901
Energy: 1.1721281118461453

minimum gb energy = 0.7054625944974906 eV
minimum distance =  2.25666625979069 Angstroms
sigma value = 25


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

Energy: 0.7604031955551839
Energy: 1.0484887747194591
Energy: 1.3549670109280276
Energy: 1.0484887747185003
Energy: 1.2288349082586303
Energy: 0.9482216931499328
Energy: 0.648620885236201
Energy: 0.9482216931489741
Energy: 0.7222109954344617
Energy: 0.7222217103338291
Energy: 0.882330606598954
Energy: 0.7222217103338291
Energy: 0.8641755043188503
Energy: 0.8875482721803305
Energy: 0.6506730362807427
Energy: 0.8875482721803305
Energy: 0.6575042272399039
Energy: 0.9485434449915389
Energy: 0.7615565312701816
Energy: 0.9485434449924975
Energy: 0.7110622196339286
Energy: 0.9474330719661179
Energy: 0.6571111338972591
Energy: 0.9474330719661179
Energy: 0.6476145985416252
Energy: 0.7910486053075021
Energy: 0.9175916220747049
Energy: 0.7910486053075021
Energy: 0.638573713024479
Energy: 0.8919957439915768
Energy: 0.7235337097227215
Energy: 0.8919957439925356
Energy: 0.6469613395498084
Energy: 0.9487644710940756
Energy: 1.1402576065666696
Energy: 0.9487644710940756
Energy: 0.6312379707270285
Energy: 0.9399784615192068
Energy: 0.6801469736356551
Energy: 0.9399784615192068
Energy: 0.647731816120245
Energy: 0.7913775014525208
Energy: 0.9447700267071334
Energy: 0.7913775014525208
Energy: 0.8826393022594426
Energy: 0.9967300457470993
Energy: 0.723331412467813
Energy: 0.9967300457461408
Energy: 0.6519242469037838
Energy: 0.8880685354029215
Energy: 0.9695239920175934
Energy: 0.8880685354029215
Energy: 0.8599846340601005
Energy: 1.0046297688428454
Energy: 0.6568257604291824
Energy: 1.0046297688428454
Energy: 0.6595651384485532
Energy: 0.86769486781027
Energy: 0.706877747926525
Energy: 0.86769486781027
Energy: 0.9167297338949425
Energy: 1.1170728653223316
Energy: 0.6496582556327058
Energy: 1.1170728653223316
Energy: 0.7272711778072332
Energy: 0.892297953144226
Energy: 0.638358102932507
Energy: 0.8922979531451847
Energy: 0.882728152105983
Energy: 0.9501694082802096
Energy: 0.6457290505842971
Energy: 0.9501694082792508
Energy: 0.764336893981106
Energy: 1.12944167807841
Energy: 0.6313594872030778
Energy: 1.12944167807841
Energy: 1.0871653066511673
Energy: 1.0853656621278813
Energy: 0.6492838428832388
Energy: 1.0853656621278813
Energy: 0.7272105950309871
Energy: 0.999072628063121
Energy: 0.6398989395888738
Energy: 0.999072628063121
Energy: 0.7235554954662804
Energy: 0.8884945088075117
Energy: 0.6557021244348564
Energy: 0.8884945088075117
Energy: 0.6596910677394305
Energy: 0.826666779840584
Energy: 0.8600702478547947
Energy: 0.8266667798415427
Energy: 0.708071940992558
Energy: 1.1299707502135374
Energy: 0.655770202526706
Energy: 1.1299707502135374
Energy: 0.6464250657041063
Energy: 1.1169716138725487
Energy: 0.917306397508658
Energy: 1.1169716138725487
Energy: 0.635640772709098
Energy: 0.8929590157537844
Energy: 0.7283477974840795
Energy: 0.8929590157547432

minimum gb energy = 0.6312379707270285 eV
minimum distance =  2.29228319320612 Angstroms
sigma value = 41


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

Energy: 0.8307203053822148
Energy: 0.8317781401889538
Energy: 1.3095387144787107
Energy: 0.8317781401873818
Energy: 1.137865947059324
Energy: 0.8252202497261295
Energy: 0.5817129415536119
Energy: 0.8252202497261295
Energy: 0.5984595303550513
Energy: 0.8201663517659447
Energy: 1.1559373806153759
Energy: 0.8201663517651587
Energy: 0.8212197912049849
Energy: 0.825429727235583
Energy: 0.5816094883207782
Energy: 0.8254297272340111
Energy: 0.5780170695948874
Energy: 0.8441188727961555
Energy: 0.6151049676604623
Energy: 0.8441188727969415
Energy: 0.6984980872287394
Energy: 0.8260962452866201
Energy: 0.5817107662147372
Energy: 0.8260962452858341
Energy: 0.5810836082435955
Energy: 0.8247991130450214
Energy: 0.7501471088877636
Energy: 0.8247991130465933
Energy: 0.5705195319894617
Energy: 0.7152703754445282
Energy: 0.5787597336101441
Energy: 0.7152703754445282
Energy: 0.5841166906827814
Energy: 0.9711471481902707
Energy: 0.9606457471734539
Energy: 0.9711471481910566
Energy: 0.5722174141048121
Energy: 0.8209399009925585
Energy: 0.5993053073141371
Energy: 0.8209399009925585
Energy: 0.5810807135209191
Energy: 0.8265275428763286
Energy: 0.9808478612921516
Energy: 0.8265275428763286
Energy: 0.5732928691151165
Energy: 0.8321210652925151
Energy: 0.8314330497535773
Energy: 0.8321210652948728
Energy: 0.5838282687412534
Energy: 0.9694684944265902
Energy: 1.0748712326700323
Energy: 0.969468494428162
Energy: 0.7858688614249464
Energy: 1.1001219756243235
Energy: 0.5991599206660639
Energy: 1.1001219756243235
Energy: 0.5810576756991831
Energy: 0.8270760065828464
Energy: 0.8225502252499693
Energy: 0.8270760065820604
Energy: 0.7653710346690177
Energy: 0.8609252944527737
Energy: 0.5786979691996608
Energy: 0.8609252944543456
Energy: 0.5837567203297986
Energy: 0.9696572887157761
Energy: 0.7626608583046242
Energy: 0.9696572887157761
Energy: 0.749899306179891
Energy: 1.1350408806705505
Energy: 0.5816748985690842
Energy: 1.135040880675266
Energy: 0.5810738979779894
Energy: 0.7153627772745372
Energy: 0.5706636104423168
Energy: 0.7153627772745372
Energy: 0.7459889339515164
Energy: 0.9192163264619709
Energy: 0.5861652645962498
Energy: 0.919216326460399
Energy: 0.6013606069467153
Energy: 1.044213481695221
Energy: 0.5763040879925851
Energy: 1.044213481694435
Energy: 0.9814722707214171
Energy: 1.097797007558994
Energy: 0.5819477529524091
Energy: 1.097797007558994
Energy: 0.8338489248534676
Energy: 0.8325747946917483
Energy: 0.5731324827508453
Energy: 0.8325747946901766
Energy: 0.8360037231451279
Energy: 0.9681723354938213
Energy: 0.5834757740221954
Energy: 0.9681723354914633
Energy: 0.601416925120171
Energy: 1.0444854999231137
Energy: 0.5770371121399375
Energy: 1.0444854999215416
Energy: 0.8198344717568509
Energy: 1.0959055018621982
Energy: 0.5819105311771725
Energy: 1.0959055018621982
Energy: 0.5810951954507017
Energy: 0.8687148925031649
Energy: 0.7663005224938263
Energy: 0.8687148925039507
Energy: 0.57876111497902
Energy: 0.9689218725905281
Energy: 0.5836264672203383
Energy: 0.9689218725905281
Energy: 0.5840554437837725
Energy: 1.0594916069540168
Energy: 0.7498775756208382
Energy: 1.0594916069548028
Energy: 0.5711540824169902
Energy: 0.9958637500670862
Energy: 0.5844777679564803
Energy: 0.9958637500655143
Energy: 0.5857279131058692
Energy: 0.9185137641579993
Energy: 0.7457327803515459
Energy: 0.9185137641587853
Energy: 0.5740869973073374
Energy: 1.0432638587774792
Energy: 0.6047415703962549
Energy: 1.0432638587774792

minimum gb energy = 0.5705195319894617 eV
minimum distance =  2.2725008287832 Angstroms
sigma value = 15


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

Energy: 0.754115404932791
Energy: 0.9840827128084557
Energy: 1.2777233790318574
Energy: 0.9840827128084557
Energy: 1.1156920335401033
Energy: 0.8677366442075498
Energy: 0.5442841755746887
Energy: 0.8677366442082156
Energy: 0.5617039698423784
Energy: 0.7404069970812881
Energy: 1.0909103810527583
Energy: 0.7404069970806223
Energy: 1.0851466242424725
Energy: 0.871434724308708
Energy: 0.5441389249972889
Energy: 0.8714347243107055
Energy: 0.5418728842305442
Energy: 1.046117724379658
Energy: 0.5620266063105824
Energy: 1.046117724380324
Energy: 0.7339040669198543
Energy: 0.8675125532254915
Energy: 0.5444216755151818
Energy: 0.8675125532261573
Energy: 0.5437616140816388
Energy: 0.7477633328693946
Energy: 0.6812569122798339
Energy: 0.7477633328700604
Energy: 0.631165849712257
Energy: 0.7478367762295607
Energy: 0.5443106924226844
Energy: 0.747836776228229
Energy: 0.5456755464584971
Energy: 0.9875644066889714
Energy: 0.8686338275577017
Energy: 0.9875644066896372
Energy: 0.5259511765380807
Energy: 1.0326057380603284
Energy: 0.542416369824759
Energy: 1.0326057380609943
Energy: 0.5438575587097347
Energy: 0.8635900297635583
Energy: 0.9267278733619717
Energy: 0.8635900297635583
Energy: 0.5273339212456595
Energy: 0.7406032417379214
Energy: 0.562385092991695
Energy: 0.7406032417372556
Energy: 0.5456968826007585
Energy: 0.9896610438857124
Energy: 1.060776444773913
Energy: 0.9896610438863782
Energy: 0.5278289173804863
Energy: 0.9836591080597111
Energy: 0.7543009642700497
Energy: 0.9836591080597111
Energy: 0.5438016799385779
Energy: 0.8671742931534726
Energy: 1.0143278277214334
Energy: 0.8671742931568017
Energy: 0.7108385164433951
Energy: 0.7410116031963984
Energy: 0.5621014123120691
Energy: 0.7410116031924034
Energy: 0.5454542754407932
Energy: 0.9896136230458283
Energy: 0.951006798310709
Energy: 0.9896136230451625
Energy: 0.6947211228536776
Energy: 1.0447477690896925
Energy: 0.542411567804233
Energy: 1.0447477690883609
Energy: 0.5438108054253519
Energy: 0.8669922574164685
Energy: 0.7345119021620411
Energy: 0.8669922574164685
Energy: 0.6802463180105676
Energy: 0.7657262986166695
Energy: 0.5442383039071182
Energy: 0.7657262986140062
Energy: 0.5454902453263792
Energy: 0.8835691716232104
Energy: 0.6867062819763081
Energy: 0.8835691716212128
Energy: 0.6787767433203997
Energy: 0.9841790094226195
Energy: 0.5477435860094058
Energy: 0.9841790094232853
Energy: 0.5438234949798879
Energy: 0.9421579533729195
Energy: 0.5255532773631001
Energy: 0.9421579533729195
Energy: 0.9223586233739757
Energy: 0.8641919769111595
Energy: 0.5443944960071729
Energy: 0.8641919769118253
Energy: 0.5636139568959218
Energy: 1.0488360455711088
Energy: 0.5289512871665617
Energy: 1.0488360455711088
Energy: 0.8961308399980994
Energy: 0.986265131299968
Energy: 0.5476692641989176
Energy: 0.986265131299968
Energy: 0.7559056734881012
Energy: 0.9774090470765776
Energy: 0.5464595444909152
Energy: 0.9774090470765776
Energy: 1.0128759721949203
Energy: 0.8677024903392625
Energy: 0.5441922773302396
Energy: 0.8677024903392625
Energy: 0.56350071739806
Energy: 1.0589615935243686
Energy: 0.5304381830216078
Energy: 1.0589615935243686
Energy: 0.7406192513692988
Energy: 0.9864015055300719
Energy: 0.5479826564004662
Energy: 0.9864015055314035
Energy: 0.5439353985295163
Energy: 1.0420976935347708
Energy: 0.7082962294927454
Energy: 1.042097693534105
Energy: 0.7335718010593075
Energy: 0.8721328133953498
Energy: 0.544173324008597
Energy: 0.8721328133960156
Energy: 0.5456702232592509
Energy: 1.0340476723098841
Energy: 0.6800323402576377
Energy: 1.03404767231055
Energy: 0.5312932788034346
Energy: 0.8830948672797292
Energy: 0.5480663497231342
Energy: 0.8830948672810608
Energy: 0.533451670165698
Energy: 0.983403676845945
Energy: 0.6787641024444918
Energy: 0.9834036768452791
Energy: 0.5255871672475866
Energy: 0.94062916053668
Energy: 0.5460461116513609
Energy: 0.9406291605380116
Energy: 0.5455607359952015
Energy: 1.0023301832296616
Energy: 0.9192059151610564
Energy: 1.0023301832296616

minimum gb energy = 0.5255532773631001 eV
minimum distance =  2.30976303523323 Angstroms
sigma value = 85


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

Energy: 0.706950254977068
Energy: 0.9422228229091066
Energy: 1.2126204415711161
Energy: 0.9422228229096842
Energy: 1.0884371220595934
Energy: 0.8125965084851385
Energy: 0.49643219378798475
Energy: 0.8125965084845611
Energy: 0.6783215023652511
Energy: 0.6797755446873323
Energy: 0.5937492241042843
Energy: 0.6797755446873323
Energy: 1.0520142914157968
Energy: 0.8125729632501075
Energy: 0.49652199973098066
Energy: 0.8125729632495301
Energy: 0.5205850759060123
Energy: 0.6592190020055894
Energy: 0.47087302540606213
Energy: 0.6592190020050119
Energy: 0.7709634039827754
Energy: 0.8254170645706088
Energy: 0.49642484623790556
Energy: 0.8254170645711862
Energy: 0.49415961554567533
Energy: 0.6934986000280443
Energy: 0.6054338229529762
Energy: 0.6934986000280443
Energy: 0.6503621524632467
Energy: 0.8126845380304245
Energy: 0.4965205899122778
Energy: 0.8126845380315794
Energy: 0.49590115330806894
Energy: 0.6685810172783484
Energy: 0.7740157108314509
Energy: 0.6685810172771934
Energy: 0.5614467878365295
Energy: 0.6927633668158095
Energy: 0.49454488266992247
Energy: 0.6927633668158095
Energy: 0.4974668810658993
Energy: 0.8005426153867115
Energy: 0.811335793987964
Energy: 0.8005426153855566
Energy: 0.47091167622944496
Energy: 0.9576700152963671
Energy: 0.5211522108468292
Energy: 0.9576700152963671
Energy: 0.4960493824037632
Energy: 0.6690391359612466
Energy: 0.954620039917104
Energy: 0.6690391359606691
Energy: 0.4730190557090352
Energy: 0.6793250595678034
Energy: 0.6788877567130392
Energy: 0.679325059567226
Energy: 0.49693416944107976
Energy: 0.812013999475885
Energy: 0.9837106781772128
Energy: 0.812013999469533
Energy: 0.47249716912291484
Energy: 0.9424750981934358
Energy: 0.7075016531561547
Energy: 0.9424750981940132
Energy: 0.49599026073972613
Energy: 0.6685276803742068
Energy: 1.0267263701438274
Energy: 0.6685276803742068
Energy: 0.6230525825591128
Energy: 0.6788644120152939
Energy: 0.6789266068125314
Energy: 0.6788644120152939
Energy: 0.49775867783065125
Energy: 0.811861439959979
Energy: 0.8893227788966371
Energy: 0.811861439959979
Energy: 0.6068964568046756
Energy: 0.9856744227531767
Energy: 0.521249481447342
Energy: 0.9856744227531767
Energy: 0.49591924348923766
Energy: 0.6680222957629369
Energy: 0.831709465727182
Energy: 0.6680222957635144
Energy: 0.6059468544310456
Energy: 0.6983953150897657
Energy: 0.494608928788419
Energy: 0.6983953150903431
Energy: 0.4973734434483747
Energy: 0.8042255164215548
Energy: 0.6519533252770587
Energy: 0.8042255164215548
Energy: 0.6083520414209889
Energy: 0.9582865530706833
Energy: 0.49647131945564066
Energy: 0.9582865530689771
Energy: 0.4960433954165618
Energy: 0.6002111769263132
Energy: 0.607019299493362
Energy: 0.6002111769263132
Energy: 0.8117376593176069
Energy: 0.8000709065044168
Energy: 0.49752576030024925
Energy: 0.8000709065049942
Energy: 0.522388252734716
Energy: 0.8796607046419223
Energy: 0.47203436576351415
Energy: 0.8796607046419223
Energy: 0.8123635998044413
Energy: 0.949137658347173
Energy: 0.4964905612294405
Energy: 0.949137658347173
Energy: 0.680193799057021
Energy: 0.6805739339005922
Energy: 0.47589968340468697
Energy: 0.6805739339005922
Energy: 0.9829164969450762
Energy: 0.804915455967935
Energy: 0.4983797573325186
Energy: 0.8049154559685124
Energy: 0.7090404236829634
Energy: 0.9177641886782436
Energy: 0.4723561530065032
Energy: 0.9177641886776662
Energy: 0.9055408910085686
Energy: 0.9491909937043999
Energy: 0.49646332121686665
Energy: 0.9491909937038222
Energy: 0.6803064022029867
Energy: 0.6797887085173162
Energy: 0.4754526775333561
Energy: 0.6797887085167387
Energy: 0.8892952389699587
Energy: 0.8049347898977369
Energy: 0.4978291633158155
Energy: 0.8049347898988918
Energy: 0.5224258609227953
Energy: 0.9641108306858316
Energy: 0.6067036717593605
Energy: 0.9641108306869864
Energy: 0.6595007704758221
Energy: 0.9483019563618005
Energy: 0.49634671547154635
Energy: 0.9483019563618005
Energy: 0.49596350265722094
Energy: 0.6998222427786649
Energy: 0.6060069584695857
Energy: 0.6998222427792424
Energy: 0.6498336584057552
Energy: 0.804728629128634
Energy: 0.4983181330605398
Energy: 0.8047286291274791
Energy: 0.4975645199447313
Energy: 0.9280537768958256
Energy: 0.6082160855921908
Energy: 0.9280537768958256
Energy: 0.47706553989963457
Energy: 0.839706509411173
Energy: 0.4975682855130091
Energy: 0.8397065094117505
Energy: 0.4960654802506879
Energy: 0.7540635219626486
Energy: 0.811583588966319
Energy: 0.7540635219661133
Energy: 0.4708328541333487
Energy: 0.8660716454309569
Energy: 0.5248378343627044
Energy: 0.8660716454309569
Energy: 0.49786505372888423
Energy: 0.8697062909732657
Energy: 0.8122744635188629
Energy: 0.8697062909732657

minimum gb energy = 0.4708328541333487 eV
minimum distance =  2.27091752309274 Angstroms
sigma value = 113


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

Energy: 0.015499874400777519
Energy: 0.016166629219287215
Energy: 0.9253198643926189
Energy: 0.016166629219287215
Energy: 0.8064062418389378
Energy: 0.25561798925136253
Energy: 0.25544467162716333
Energy: 0.2556179892509186
Energy: 0.015499874400777519
Energy: 0.016166629218867953
Energy: 1.3408227892867108
Energy: 0.016166629219731138
Energy: 0.8064062418393818
Energy: 0.25561798925136253
Energy: 0.2554446716267194
Energy: 0.2556179892509186
Energy: 0.015499874400777519
Energy: 0.016166629218867953
Energy: 1.959227881980457
Energy: 0.016166629219287215
Energy: 0.8064062418393818
Energy: 0.25561798925136253
Energy: 0.25544467162716333
Energy: 0.2556179892509186

minimum gb energy = 0.015499874400777519 eV
minimum distance =  2.54406198880506 Angstroms
sigma value = 1