Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.242432836483997
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.01643193728070857
Energy: 1.2126445568030257
Energy: 0.016431937281022855
Energy: 1.2126445568027462
Energy: 0.01643193728070857
Energy: 1.2126445568021176
Energy: 1.2126445568027462
Energy: 1.1049244451712943
Energy: 1.2126445568027462
Energy: 1.151207182090087
Energy: 1.212644556802432
Energy: 1.1512071820925316
Energy: 0.016431937281022855
Energy: 1.2126445568027462
Energy: 0.016431937281022855
Energy: 1.2126445568027462
Energy: 0.01643193728070857
Energy: 1.2126445568021176
Energy: 1.2126445568027462
Energy: 1.1512071820903667
Energy: 1.2126445568027462
Energy: 1.1512071820913095
Energy: 1.2126445568027462
Energy: 1.151207182090087
Energy: 0.01643193728070857
Energy: 1.2126445568027462
Energy: 0.016431937281022855
Energy: 1.2126445568027462
Energy: 0.01643193728070857
Energy: 1.2126445568021176
Energy: 1.212644556802432
Energy: 1.1512071820913095
Energy: 1.2126445568021176
Energy: 1.1512071820919032
Energy: 1.212644556802432
Energy: 1.1512071820916239

minimum gb energy = 0.01643193728070857 eV
minimum distance =  2.39053398747199 Angstroms
sigma value = 1


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

Energy: 1.171674602199633
Energy: 1.022696961260462
Energy: 1.1716746022003892
Energy: 1.022696961258949
Energy: 1.171674602199633
Energy: 1.022696961258949
Energy: 1.3579302231604073
Energy: 0.924396053494135
Energy: 1.357930223159651
Energy: 0.9243960534933785
Energy: 1.3579302231490595
Energy: 0.9243960534933785
Energy: 1.1289588407585651
Energy: 1.0785079389754746
Energy: 1.0673654799439476
Energy: 1.0785079389354475
Energy: 1.1289588407585651
Energy: 1.07850793890443
Energy: 1.1932094404122917
Energy: 1.0020264406821455
Energy: 1.1932094403306557
Energy: 1.0020264406821455
Energy: 1.1932094403495688
Energy: 1.002026440682902
Energy: 1.0785629464667632
Energy: 1.1379469909033662
Energy: 1.0785629464652502
Energy: 1.1379469909026096
Energy: 1.0785629464660067
Energy: 1.1379469909026096
Energy: 1.113408590738856
Energy: 0.9913287495379214
Energy: 1.1134085907403
Energy: 0.991328749538678
Energy: 1.1134085907396123
Energy: 0.991328749538678
Energy: 1.0803646134625253
Energy: 1.144134391388104
Energy: 1.0803646134231861
Energy: 1.1441343913828086
Energy: 1.0708823813838275
Energy: 1.1441343913646518
Energy: 1.0043083251944438
Energy: 1.2398746343236335
Energy: 1.004308325192174
Energy: 1.2398746343266598
Energy: 1.0043083251944438
Energy: 1.2398746343236335
Energy: 1.1381937751333722
Energy: 1.1454048390057179
Energy: 1.1381937751318594
Energy: 1.1454048390057179
Energy: 1.1381937751341287
Energy: 1.1454048390064744
Energy: 0.9215961240041175
Energy: 1.2239545167645107
Energy: 0.921596124003361
Energy: 0.637856233572181
Energy: 0.9215961240041175
Energy: 0.6376045558279262
Energy: 1.1035787294251929
Energy: 0.9977222544779991
Energy: 0.5915629610235767
Energy: 0.9977222544787557
Energy: 0.5917851245591867
Energy: 0.9977222544779991
Energy: 0.8731233096957416
Energy: 1.1491328893424202
Energy: 0.8731233096957416
Energy: 1.1491327309879635
Energy: 0.873123309696498
Energy: 1.1491324603386566
Energy: 1.2337238510166966
Energy: 0.8604547750637419
Energy: 1.2337238510151836
Energy: 0.8604547750637419
Energy: 1.233723851014427
Energy: 0.8604547750637419
Energy: 1.003005775521546
Energy: 1.0852986321649938
Energy: 1.0030057755223025
Energy: 1.0852986312303408
Energy: 1.0030057755238158
Energy: 1.0852986298381966
Energy: 1.297539280415961
Energy: 0.9262179349620282
Energy: 1.2975392804144479
Energy: 0.9262179349627847
Energy: 1.2975392803970476
Energy: 0.9262179349627847
Energy: 1.3226154595818664
Energy: 1.1326433544356411
Energy: 1.3226154595811097
Energy: 1.1326433544348846
Energy: 1.3226154595811097
Energy: 1.1326433544356411
Energy: 1.1294767430995374
Energy: 1.0829419144687895
Energy: 1.1294767430995374
Energy: 1.0829419144680328
Energy: 1.1294767431010506
Energy: 1.082941914469546
Energy: 1.1284482767566624
Energy: 1.0305791627846452
Energy: 1.1284482767596882
Energy: 1.0305791627861582
Energy: 1.1284482767566624
Energy: 1.0305791627861582
Energy: 1.019216821192059
Energy: 1.0020831463565651
Energy: 1.0192168211913024
Energy: 1.0020831456314012
Energy: 1.0030480185269692
Energy: 1.0020831445069291
Energy: 1.1000488538441082
Energy: 0.9905633986145863
Energy: 1.1000488538441082
Energy: 0.9905633986130732
Energy: 1.100048853843352
Energy: 0.9905633986123167
Energy: 0.9412023725161492
Energy: 1.2155516985574017
Energy: 0.9412023725161492
Energy: 1.215551698555132
Energy: 0.9412023725153928
Energy: 1.215551698552106
Energy: 1.1397745536442858
Energy: 1.1459511812168883
Energy: 1.1397745536442858
Energy: 1.1459511812168883
Energy: 1.139774553643529
Energy: 1.1459511812168883
Energy: 0.8873583506950143
Energy: 1.4276448327215367
Energy: 0.9659494566174619
Energy: 1.4276448327200237
Energy: 0.9054611967528924
Energy: 1.4276448327215367

minimum gb energy = 0.5915629610235767 eV
minimum distance =  2.33473700850612 Angstroms
sigma value = 33


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

Energy: 1.3973443427509347
Energy: 1.1667574905095155
Energy: 1.3968536875862672
Energy: 1.166757490511667
Energy: 1.3973443427505043
Energy: 1.1667574905099458
Energy: 1.303995274451897
Energy: 1.0383154201939315
Energy: 1.3039925975333773
Energy: 1.038315420195653
Energy: 1.303983877596834
Energy: 1.038315420195653
Energy: 1.0219533881736202
Energy: 1.0787422519190044
Energy: 1.0219533881731897
Energy: 1.0787422518368543
Energy: 1.0219533881718987
Energy: 1.0787422517241525
Energy: 1.2025720609703416
Energy: 1.0966193916530727
Energy: 1.2025720609681902
Energy: 1.0966188173269538
Energy: 1.202572060969481
Energy: 1.0966180874546618
Energy: 1.154192668426532
Energy: 1.0957426000752366
Energy: 1.154192668428253
Energy: 1.0957426000786792
Energy: 1.1541926684273927
Energy: 1.0957426000765276
Energy: 0.9660294013105716
Energy: 0.5730800936016706
Energy: 0.9660294013097109
Energy: 0.5740676289739522
Energy: 0.9660294013127231
Energy: 0.5729781769543509
Energy: 1.1986164721277068
Energy: 0.607356689884866
Energy: 1.1993238933744301
Energy: 0.6075083409255502
Energy: 1.1986045901886169
Energy: 0.607840582597027
Energy: 0.9031587898614095
Energy: 1.352586004609538
Energy: 0.9032043874859313
Energy: 1.3525860046091467
Energy: 0.9031587898639913
Energy: 1.352586004609538
Energy: 1.085474968318233
Energy: 1.0231664820917892
Energy: 1.0854749683195237
Energy: 1.0231664820926496
Energy: 1.0854749683173723
Energy: 1.0231664820926496
Energy: 0.9797453248343373
Energy: 1.305667778019926
Energy: 0.9797445260739589
Energy: 1.3056677754177302
Energy: 0.9797453248377797
Energy: 1.3056677719075043
Energy: 1.2404570455461466
Energy: 0.9797533352281451
Energy: 1.240457045546577
Energy: 0.9797533352277148
Energy: 1.240457045546577
Energy: 0.9797533352272847
Energy: 1.024872358743646
Energy: 1.0129354668624546
Energy: 1.0248705441939343
Energy: 1.0129353994100747
Energy: 1.0248723587427853
Energy: 1.012935329075055
Energy: 1.3362953153873476
Energy: 0.9252209975405751
Energy: 0.6776918404654005
Energy: 0.9252209975418659
Energy: 0.6710073400624301
Energy: 0.9252209975410054
Energy: 1.323770016558863
Energy: 1.3281983010648248
Energy: 1.3237700165597235
Energy: 1.3281983010652552
Energy: 1.3237700165605844
Energy: 1.3281983010652552
Energy: 1.2021035493745207
Energy: 1.0373593256920008
Energy: 1.2021035493727994
Energy: 1.0373593256889888
Energy: 1.2021035493715084
Energy: 1.0373593256907099
Energy: 1.020033654491731
Energy: 1.0373820850078044
Energy: 1.0200336544934525
Energy: 1.0373820850086652
Energy: 1.0200336544921615
Energy: 1.0373820850069437
Energy: 1.2033494905238058
Energy: 1.098154677862788
Energy: 1.2033494905259572
Energy: 1.098154677862788
Energy: 1.2033494905246662
Energy: 1.0981546778632183
Energy: 1.174748209433225
Energy: 0.5418896358057785
Energy: 1.1747482092762014
Energy: 0.541889631240513
Energy: 1.1747482088224601
Energy: 0.5418896298499501
Energy: 0.9635035130814418
Energy: 0.39468390937674597
Energy: 0.9635035130792903
Energy: 0.39468386723079796
Energy: 0.9635035130788601
Energy: 0.39468393686558767
Energy: 1.2022241399279776
Energy: 0.8055391295488323
Energy: 1.2022381903780315
Energy: 0.7066815229246394
Energy: 1.2022241399292684
Energy: 0.8049234934109565
Energy: 0.9032357715721225
Energy: 0.7019317708458473
Energy: 0.9032054990568799
Energy: 0.6986976634435935
Energy: 0.9032357715716922
Energy: 0.6968279283890363
Energy: 1.0856131306897931
Energy: 1.0238438905293696
Energy: 1.0856131306910841
Energy: 1.023843890528939
Energy: 1.0856131306906538
Energy: 1.0238438905293696
Energy: 0.9836469244854714
Energy: 1.3078832866484227
Energy: 0.9830553853340201
Energy: 1.3078488609346712
Energy: 0.9836469244867625
Energy: 0.15593260493766337
Energy: 1.2267620219765263
Energy: 1.1555268899586975
Energy: 1.2267620219760957
Energy: 1.1555268899569764
Energy: 1.2267620219748048
Energy: 1.1555268899582674
Energy: 1.0229526191243925
Energy: 0.9772729039462218
Energy: 1.0224847110256103
Energy: 0.9772729039367549
Energy: 1.0229526191222411
Energy: 0.9772729039294397
Energy: 1.3622085274478253
Energy: 1.171388817624408
Energy: 1.3136508717026134
Energy: 1.171388817624408
Energy: 1.3622085274443827
Energy: 1.1713888176248382
Energy: 1.3668279100544332
Energy: 1.2239942966072948
Energy: 1.3112975137699032
Energy: 1.2239942966068644
Energy: 1.3668279100492693
Energy: 1.2239942966060038
Energy: 1.0223359475059317
Energy: 1.0874543045054073
Energy: 1.0223359475042104
Energy: 1.0874543045054073
Energy: 1.0223359475024894
Energy: 1.0874543045049772
Energy: 1.3316473471393655
Energy: 1.0384131623462816
Energy: 1.3316473471376444
Energy: 1.0384131623475725
Energy: 1.3316473471376444
Energy: 1.0384131623475725
Energy: 0.9811829055334902
Energy: 1.2236226474576712
Energy: 0.981182905534781
Energy: 1.2236226474542287
Energy: 0.9811829055356418
Energy: 1.2236226474550893
Energy: 1.2251182817104838
Energy: 1.0233245413855707
Energy: 1.2251182817074715
Energy: 1.0233245413851404
Energy: 1.2251182817035986
Energy: 1.0233245413855707
Energy: 0.9267623316376512
Energy: 0.6843151482815885
Energy: 0.9267623316363602
Energy: 0.6279401937306691
Energy: 0.9267623316376512
Energy: 0.6838669627494621
Energy: 1.2012073229294096
Energy: 1.3153825697928643
Energy: 1.1996480908973326
Energy: 1.3153825697937247
Energy: 1.2012073229263975
Energy: 1.315382569794155
Energy: 1.0384405346588437
Energy: 1.2021435244590815
Energy: 1.0384405346597043
Energy: 1.2021435244500451
Energy: 1.0384405346584134
Energy: 1.2021435244337324
Energy: 1.059592569635787
Energy: 1.020494193843608
Energy: 1.0595925696362174
Energy: 1.0204941938410264
Energy: 1.059592569635357
Energy: 1.0204941938418868
Energy: 1.097498913959175
Energy: 1.2019228121783772
Energy: 1.0974989134951065
Energy: 1.2019228121783772
Energy: 1.0974989120597913
Energy: 1.2019228121783772
Energy: 1.0201896309962442
Energy: 1.15373519797469
Energy: 1.0202061649661631
Energy: 1.153735197924383
Energy: 1.0201896309940925
Energy: 1.153735197839651
Energy: 1.0639305704488808
Energy: 0.9629074161629593
Energy: 1.0639305704493112
Energy: 0.962907416162529
Energy: 1.0639305704484505
Energy: 0.9629074161603773
Energy: 1.3241227256347692
Energy: 1.1668990623941002
Energy: 1.3241227256330481
Energy: 1.1668978180444316
Energy: 1.3241227256321872
Energy: 1.1668958378395329
Energy: 1.3195500281135761
Energy: 0.8630356473487385
Energy: 1.3195496295112485
Energy: 0.8630356473504597
Energy: 1.3195482227946573
Energy: 0.86303564735089
Energy: 1.0248139606580553
Energy: 0.928592043130681
Energy: 1.0248139606576252
Energy: 0.928592043130681
Energy: 1.0248139606597766
Energy: 0.9285920431298204

minimum gb energy = 0.15593260493766337 eV
minimum distance =  2.3753972436045 Angstroms
sigma value = 51


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

Energy: 1.136811729074676
Energy: 1.1190444631250667
Energy: 1.136811729074676
Energy: 1.1190444631260639
Energy: 1.136811729073679
Energy: 1.1190444631250667
Energy: 1.1728111844444562
Energy: 1.0026267097010346
Energy: 1.1727826420043843
Energy: 1.0026267097010346
Energy: 0.6140333985656694
Energy: 1.0026267097010346
Energy: 1.0682698053629045
Energy: 1.0568885169940918
Energy: 1.0682698053639015
Energy: 1.0568838086075243
Energy: 1.0682698053629045
Energy: 1.0568745496542988
Energy: 1.0773416479910256
Energy: 0.8879362316486921
Energy: 1.0773416479920226
Energy: 0.8879362316486921
Energy: 1.0773416479910256
Energy: 0.8879362316486921
Energy: 1.1138825710235345
Energy: 1.0868057616250861
Energy: 1.1138825710235345
Energy: 1.0868057616250861
Energy: 1.1138825710235345
Energy: 1.0868057616240892
Energy: 1.1428150706343636
Energy: 1.0866142162216894
Energy: 1.1428150706353606
Energy: 1.0866142162216894
Energy: 1.1428150706343636
Energy: 1.0866142162236836
Energy: 0.9624664698421569
Energy: 1.0937315988442264
Energy: 0.962466469839211
Energy: 1.0937315988442264
Energy: 0.9624664698431539
Energy: 1.0937315988442264
Energy: 0.9896552663944785
Energy: 1.0867649871417853
Energy: 0.9896552663944785
Energy: 1.0867649871397913
Energy: 0.9896552663935269
Energy: 1.0867649871397913
Energy: 1.2556292773395101
Energy: 0.8836868675531865
Energy: 1.2556292773494802
Energy: 0.8836868675531865
Energy: 1.255629277279689
Energy: 0.8836868675541835
Energy: 0.9163637670933193
Energy: 1.276346910017453
Energy: 0.9163637670933193
Energy: 1.276346910016456
Energy: 0.9163637670933193
Energy: 1.276346910017453
Energy: 1.2527396305199905
Energy: 0.891146864096831
Energy: 1.2527396227676193
Energy: 0.891146864096831
Energy: 1.252739598606617
Energy: 0.891146864096831
Energy: 1.1270690450960659
Energy: 1.1205614756599025
Energy: 1.1270690450960659
Energy: 1.1205614756569113
Energy: 1.1270690450960659
Energy: 1.1205614756529236
Energy: 1.3246507702402048
Energy: 1.0029877746983245
Energy: 1.3246507702402048
Energy: 1.0029877746983245
Energy: 1.3246507702402048
Energy: 1.0029877746983245
Energy: 1.0633252301435212
Energy: 1.0186949474345877
Energy: 1.0633252301435212
Energy: 1.0186949474355844
Energy: 1.0633252301425242
Energy: 1.0186949474355844
Energy: 1.098269988784608
Energy: 1.1196874256272096
Energy: 1.098269988784608
Energy: 1.1196874256272096
Energy: 1.098269988783611
Energy: 1.1196874256272096
Energy: 1.1386760154055662
Energy: 1.0866590129343778
Energy: 1.1386760154065632
Energy: 1.0866590129343778
Energy: 1.1386760154065632
Energy: 1.0866590129343778
Energy: 1.1145531800210997
Energy: 1.209876833679434
Energy: 1.1145531800210997
Energy: 1.2098768336784371
Energy: 1.1145531800210997
Energy: 1.2098768336774401
Energy: 1.0332191338078214
Energy: 1.0882890307760993
Energy: 1.0332191338068242
Energy: 1.0882890307760993
Energy: 1.0332191338088184
Energy: 1.0882890307760993

minimum gb energy = 0.6140333985656694 eV
minimum distance =  2.30296689813141 Angstroms
sigma value = 19


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

Energy: 0.869065375594891
Energy: 0.8488165098809116
Energy: 0.869065375594891
Energy: 0.8488165098809116
Energy: 0.869065375594891
Energy: 0.848816509881503
Energy: 0.9486874546651433
Energy: 1.1320156376251542
Energy: 0.9486874546645518
Energy: 1.1320156376251542
Energy: 0.9486874546657347
Energy: 1.1320156376239712
Energy: 0.8032800911992335
Energy: 1.129258390426659
Energy: 0.8032800911992335
Energy: 1.1292583904254763
Energy: 0.8032800911992335
Energy: 1.1292583904260676
Energy: 0.9089343780168391
Energy: 0.8034885104836851
Energy: 0.9089343780162477
Energy: 0.8034885104836851
Energy: 0.9089343780168391
Energy: 0.8034885104836851
Energy: 0.8449316294741216
Energy: 0.8655985088883735
Energy: 0.8449316294741216
Energy: 0.8655985088889647
Energy: 0.8449316294735301
Energy: 0.8655985088883735
Energy: 0.8448850398170568
Energy: 0.8655074232587265
Energy: 0.8448850398170568
Energy: 0.865507423259318
Energy: 0.8448850398170568
Energy: 0.8655074232587265
Energy: 0.9089132817686039
Energy: 0.803482533499348
Energy: 0.9089132817691953
Energy: 0.8034825334999394
Energy: 0.9089132817691953
Energy: 0.803482533499348
Energy: 0.8032824461820146
Energy: 1.1305239679484205
Energy: 0.8032824461820146
Energy: 1.1305239679484205
Energy: 0.8032824461820146
Energy: 1.130523967949012
Energy: 0.948733968481827
Energy: 1.131936292213081
Energy: 0.9487339684841927
Energy: 1.131936292213081
Energy: 0.9487339684830098
Energy: 1.131936292213081
Energy: 0.8690653755954825
Energy: 0.848816509881503
Energy: 0.869065375594891
Energy: 0.848816509881503
Energy: 0.869065375594891
Energy: 0.848816509881503
Energy: 0.9486874546639603
Energy: 1.1320156376251542
Energy: 0.9486874546657347
Energy: 1.1320156376251542
Energy: 0.9486874546645518
Energy: 1.1320156376239712
Energy: 0.8032800911992335
Energy: 1.129258390426659
Energy: 0.8032800911992335
Energy: 1.129258390426659
Energy: 0.8032800911992335
Energy: 1.1292583904254763
Energy: 0.9089343780174305
Energy: 0.8034885104836851
Energy: 0.9089343780168391
Energy: 0.8034885104842764
Energy: 0.9089343780168391
Energy: 0.8034885104836851
Energy: 0.8449316294741216
Energy: 0.8655985088883735
Energy: 0.8449316294741216
Energy: 0.8655985088883735
Energy: 0.8449316294741216
Energy: 0.8655985088883735
Energy: 0.8448850398170568
Energy: 0.865507423259318
Energy: 0.8448850398170568
Energy: 0.8655074232587265
Energy: 0.8448850398170568
Energy: 0.8655074232587265
Energy: 0.9089132817691953
Energy: 0.8034825334999394
Energy: 0.9089132817691953
Energy: 0.803482533499348
Energy: 0.9089132817691953
Energy: 0.803482533499348
Energy: 0.8032824461820146
Energy: 1.1305239679484205
Energy: 0.8032824461820146
Energy: 1.1305239679484205
Energy: 0.8032824461820146
Energy: 1.130523967949012
Energy: 0.9487339684824184
Energy: 1.131936292213081
Energy: 0.9487339684836014
Energy: 1.1319362922124896
Energy: 0.9487339684812358
Energy: 1.131936292213081
Energy: 0.869065375594891
Energy: 0.848816509881503
Energy: 0.869065375594891
Energy: 0.848816509881503
Energy: 0.869065375594891
Energy: 0.848816509881503
Energy: 0.9486874546657347
Energy: 1.1320156376251542
Energy: 0.9486874546657347
Energy: 1.1320156376245627
Energy: 0.9486874546645518
Energy: 1.1320156376239712
Energy: 0.8032800911992335
Energy: 1.1292583904254763
Energy: 0.8032800911992335
Energy: 1.129258390426659
Energy: 0.8032800911992335
Energy: 1.1292583904272504
Energy: 0.9089343780168391
Energy: 0.8034885104830937
Energy: 0.9089343780162477
Energy: 0.8034885104842764
Energy: 0.9089343780168391
Energy: 0.8034885104836851
Energy: 0.8449316294741216
Energy: 0.8655985088883735
Energy: 0.8449316294741216
Energy: 0.8655985088883735
Energy: 0.8449316294741216
Energy: 0.8655985088889647
Energy: 0.8448850398176483
Energy: 0.865507423259318
Energy: 0.8448850398170568
Energy: 0.8655074232587265
Energy: 0.8448850398170568
Energy: 0.8655074232587265
Energy: 0.9089132817691953
Energy: 0.8034825334999394
Energy: 0.9089132817691953
Energy: 0.8034825334999394
Energy: 0.9089132817691953
Energy: 0.803482533499348
Energy: 0.8032824461820146
Energy: 1.130523967947829
Energy: 0.8032824461820146
Energy: 1.130523967949012
Energy: 0.8032824461820146
Energy: 1.1305239679496033
Energy: 0.9487339684830098
Energy: 1.131936292213081
Energy: 0.9487339684830098
Energy: 1.1319362922124896
Energy: 0.9487339684824184
Energy: 1.131936292213081
Energy: 0.8690653755942999
Energy: 0.8488165098809116
Energy: 0.869065375594891
Energy: 0.848816509881503
Energy: 0.869065375594891
Energy: 0.848816509881503
Energy: 0.9486874546651433
Energy: 1.1320156376251542
Energy: 0.9486874546651433
Energy: 1.1320156376245627
Energy: 0.9486874546645518
Energy: 1.1320156376245627
Energy: 0.8032800911986421
Energy: 1.129258390426659
Energy: 0.8032800911992335
Energy: 1.1292583904260676
Energy: 0.8032800911992335
Energy: 1.129258390426659

minimum gb energy = 0.8032800911986421 eV
minimum distance =  2.3224951953174 Angstroms
sigma value = 27


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

Energy: 0.847102285121206
Energy: 0.8114612131627388
Energy: 0.8471022851226546
Energy: 0.8114612131627388
Energy: 0.847102285121206
Energy: 0.8114612131627388
Energy: 1.0022383313286303
Energy: 0.8344683056337006
Energy: 1.0022379444423652
Energy: 0.8344683056322519
Energy: 1.0022366970328338
Energy: 0.8344683056337006
Energy: 0.9094938344813018
Energy: 0.9548298270260406
Energy: 0.8326231704511788
Energy: 0.9548298270245921
Energy: 0.9094938344813018
Energy: 0.9548298270260406
Energy: 1.003548069738939
Energy: 0.7887100862661788
Energy: 1.003548069663643
Energy: 0.7887100862647303
Energy: 1.003548069459484
Energy: 0.7887100862661788
Energy: 1.0027520203982367
Energy: 0.7887245807559579
Energy: 1.0027520203982367
Energy: 0.7887245807559579
Energy: 1.0027520203996854
Energy: 0.7887245807559579
Energy: 1.0212583371517476
Energy: 1.076550208119029
Energy: 1.0212583371531962
Energy: 1.0765502081175802
Energy: 1.0212583371531962
Energy: 1.0765502081175802
Energy: 0.7894241351414606
Energy: 0.8374831738129209
Energy: 0.9508220809492784
Energy: 0.8374831738129209
Energy: 0.7894241351414606
Energy: 0.8374831738129209
Energy: 0.8405747810332186
Energy: 0.8138826081260088
Energy: 0.8405747810332186
Energy: 0.8138826081260088
Energy: 0.8405747810332186
Energy: 0.8138826081260088
Energy: 1.007713026733627
Energy: 0.8321591791082973
Energy: 1.007713026733627
Energy: 0.8321591799495925
Energy: 1.007713026733627
Energy: 0.8321591779527797
Energy: 0.9898154889857483
Energy: 1.026247611364822
Energy: 0.9898154889857483
Energy: 1.0262476113590275
Energy: 0.9898154889857483
Energy: 1.026247611353233
Energy: 0.8138129872607914
Energy: 0.7903614939146041
Energy: 0.8138129872607914
Energy: 0.7903614939131555
Energy: 0.9195504345715976
Energy: 0.7903614939131555
Energy: 1.1187721582362833
Energy: 0.9835735980975676
Energy: 1.1187721582377321
Energy: 0.9835735980903243
Energy: 1.1187721582377321
Energy: 0.9835735980729409

minimum gb energy = 0.7887100862647303 eV
minimum distance =  2.29489626390139 Angstroms
sigma value = 9


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

Energy: 0.9338418942136567
Energy: 0.7359052019108316
Energy: 0.9338418942124357
Energy: 0.7359052019112386
Energy: 0.9338418942132497
Energy: 0.7359052019124597
Energy: 0.8183954086425603
Energy: 0.8541860911246543
Energy: 0.8183954086112558
Energy: 0.813110277912652
Energy: 0.8183954085294796
Energy: 0.7618231195697995
Energy: 0.7110677977390619
Energy: 0.8251034626611536
Energy: 0.711067797739469
Energy: 0.8251034626619679
Energy: 0.711067797738655
Energy: 0.8251034626607466
Energy: 0.7626594293089995
Energy: 0.7287299482677697
Energy: 0.7626594293085924
Energy: 0.7287299482681767
Energy: 0.7626594293085924
Energy: 0.7287299482681767
Energy: 0.8166060631895882
Energy: 0.7817347071017708
Energy: 0.8166060631895882
Energy: 0.7817347071021779
Energy: 0.8166060631895882
Energy: 0.7817347071017708
Energy: 0.8498658531384442
Energy: 0.9137961407669369
Energy: 0.8498658530558537
Energy: 0.8754930014620802
Energy: 0.8498658528658811
Energy: 0.8355306501416764
Energy: 0.8172089675171141
Energy: 0.8366445675452008
Energy: 0.8172089674210918
Energy: 0.8366445675443867
Energy: 0.8172089671265489
Energy: 0.8366445675456078
Energy: 0.7099144446170333
Energy: 0.8188998136324226
Energy: 0.7099144446170333
Energy: 0.8188998136320156
Energy: 0.7099144446174404
Energy: 0.8188998136324226
Energy: 0.7858533038821106
Energy: 0.781430582785087
Energy: 0.7858532440014057
Energy: 0.7814305827838659
Energy: 0.7858531195241656
Energy: 0.7814305827838659
Energy: 0.7839553349567634
Energy: -1.8955004663852646
Energy: 0.7839553348212959
Energy: -1.9788856778921178
Energy: 0.7839553342931909
Energy: -1.0077402810363525
Energy: 0.7597435089392047
Energy: 0.7365876436758485
Energy: 0.7597435089392047
Energy: 0.7365876436758485
Energy: 0.7597435089392047
Energy: 0.7365876436758485
Energy: 0.7514561520722548
Energy: 0.8232871458500407
Energy: 0.7514561520718477
Energy: 0.8232871457454706
Energy: 0.7514561520722548
Energy: 0.8232871455806968
Energy: 0.31099079567344357
Energy: 0.8110083427555984
Energy: 0.4457936324100669
Energy: 0.8110083427483089
Energy: 0.44578474120913414
Energy: 0.81100834271249
Energy: 0.9280016851615105
Energy: 0.8064905538233729
Energy: 0.9280016851200303
Energy: 0.8064905538237801
Energy: 0.9280016850305205
Energy: 0.8064905538270363
Energy: 0.7343693203876953
Energy: 0.8014964007631195
Energy: 0.7343693203881023
Energy: 0.8014964007639337
Energy: 0.7343693203881023
Energy: 0.8014964007627124
Energy: 0.8771241780966949
Energy: 0.909851420517596
Energy: 0.8767275234450342
Energy: 0.9098514204940251
Energy: 0.6431099145164032
Energy: 0.9098514204468094
Energy: 0.967891081961283
Energy: 0.7289461798929028
Energy: 0.967891081959655
Energy: 0.7289461798920889
Energy: 0.9678910819616903
Energy: 0.7289461798929028
Energy: 0.75067993203937
Energy: 0.7432951810716506
Energy: 0.750679932038963
Energy: 0.7432951810708366
Energy: 0.7506799320381489
Energy: 0.7432951810720577
Energy: 0.7121561569252616
Energy: 0.9740059132845673
Energy: 0.7121561569256686
Energy: 0.9740059132829392
Energy: 0.7121561569260756
Energy: 0.9740059132833461
Energy: 0.9054590941548644
Energy: 0.7168615499118616
Energy: 0.9054590941552714
Energy: 0.7168615499130827
Energy: 0.9054590941516081
Energy: 0.7168615499130827
Energy: 0.7124554486559409
Energy: 0.9741431024414776
Energy: 0.7124554486563479
Energy: 0.9741431024394424
Energy: 0.7124554486559409
Energy: 0.9741431024410706
Energy: 0.7505491857453885
Energy: 0.7438133275501781
Energy: 0.7505491857441674
Energy: 0.7438133275501781
Energy: 0.7505491857462026
Energy: 0.743813327549771
Energy: 0.9677648587456309
Energy: 0.7290188313964578
Energy: 0.9677648587460378
Energy: 0.729018831397679
Energy: 0.9677648587448169
Energy: 0.729018831398493
Energy: 0.8767754793381219
Energy: 0.8187235558093972
Energy: 0.876695313447366
Energy: 0.8187235557609606
Energy: 0.6427544031981022
Energy: 0.8187235556315985
Energy: 0.7339974079044721
Energy: 0.8015003081028126
Energy: 0.7339974079044721
Energy: 0.8015003081036268
Energy: 0.7339974079032511
Energy: 0.8015003081024057
Energy: 0.9282023888107335
Energy: 0.805797116180927
Energy: 0.9282023887952663
Energy: 0.8057971161825551
Energy: 0.9282023886849977
Energy: 0.8057971161829621
Energy: 0.440523238723507
Energy: 0.8110548331479982
Energy: 0.4455681922147332
Energy: 0.811054833132531
Energy: 0.45676817530562236
Energy: 0.8110548331052599
Energy: 0.7513794252354687
Energy: 0.730210780982532
Energy: 0.7513794252354687
Energy: 0.7302107809068612
Energy: 0.7513794252350617
Energy: 0.7302107807693214
Energy: 0.760184134466693
Energy: 0.7361251539967445
Energy: 0.760184134465472
Energy: 0.7361251539967445
Energy: 0.7601841344593664
Energy: 0.7361251539967445
Energy: 0.7837151074183439
Energy: 0.6232696946381512
Energy: 0.7837151069069271
Energy: 0.6227494388882592
Energy: 0.7837151054532696
Energy: 0.6231631541518203
Energy: 0.7854706316028631
Energy: 0.7814986687908543
Energy: 0.7854705507054545
Energy: 0.7814986687912614
Energy: 0.7854703884614592
Energy: 0.7814986687908543
Energy: 0.7099462476080589
Energy: 0.8190854241807918
Energy: 0.7099462476076519
Energy: 0.8190854241803848
Energy: 0.7099462476080589
Energy: 0.8190854241811988
Energy: 0.8174550239992578
Energy: 0.8366348587543222
Energy: 0.8174550239528932
Energy: 0.8366348587539151
Energy: 0.8174550237494514
Energy: 0.8366348587547292
Energy: 0.8498409387020457
Energy: 0.9028445112909695
Energy: 0.849840938669483
Energy: 0.9024364943602599
Energy: 0.849840938553146
Energy: 0.6622356116886852
Energy: 0.8164603824385912
Energy: 0.7810956502256574
Energy: 0.8164603824389982
Energy: 0.7810956502260644
Energy: 0.8164603824389982
Energy: 0.7810956502260644
Energy: 0.7620486229968918
Energy: 0.7288447865765644
Energy: 0.7620486229972988
Energy: 0.7288447865765644
Energy: 0.7620486229964847
Energy: 0.7288447865777854
Energy: 0.7108609638999218
Energy: 0.8250318347812884
Energy: 0.7108609638991077
Energy: 0.8250318347780322
Energy: 0.710860963901143
Energy: 0.8250318347780322
Energy: 0.8174081489167558
Energy: 0.6236652733714492
Energy: 0.8174081484989193
Energy: 0.6233840100914285
Energy: 0.8174081467982678
Energy: 0.6234422860431592
Energy: 0.9338418942136567
Energy: 0.7359052019108316
Energy: 0.9338418942116216
Energy: 0.7359052019112386
Energy: 0.9338418942120287
Energy: 0.7359052019116458
Energy: 0.8183954085941606
Energy: 0.7240998729383704
Energy: 0.8183954085652613
Energy: 0.7240998729391845
Energy: 0.818395408483485
Energy: 0.7240998729387774
Energy: 0.711067797738248
Energy: 0.825103462653013
Energy: 0.7110677977390619
Energy: 0.8251034626550483
Energy: 0.7110677977390619
Energy: 0.8251034626566763
Energy: 0.7626594293085924
Energy: 0.7287299482649204
Energy: 0.7626594293085924
Energy: 0.7287299482673627
Energy: 0.7626594293073713
Energy: 0.7287299482665486
Energy: 0.8166060631912163
Energy: 0.7817347071042131
Energy: 0.8166060631908093
Energy: 0.781734707103399
Energy: 0.8166060631908093
Energy: 0.781734707103399

minimum gb energy = -1.9788856778921178 eV
minimum distance =  2.35140573502055 Angstroms
sigma value = 57


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

Energy: 0.3891383103150884
Energy: 0.3963196967585783
Energy: 0.3891383103160149
Energy: 0.39631969675765183
Energy: 0.3891383103160149
Energy: 0.3963196967585783
Energy: 0.4706059746358249
Energy: 0.39008416643022253
Energy: 0.4706059746367514
Energy: 0.3900841664311491
Energy: 0.4706059746358249
Energy: 0.3900841664311491
Energy: 0.42926409284122563
Energy: 0.4671898808364929
Energy: 0.4292640928403412
Energy: 0.4671898808355664
Energy: 0.4292640928403412
Energy: 0.4671898808355664
Energy: 0.3986456737291522
Energy: 0.38915298552148136
Energy: 0.3986456737282257
Energy: 0.3891529855205548
Energy: 0.3986456737282257
Energy: 0.3891529855196282
Energy: 0.4697375957259241
Energy: 0.47863452553944724
Energy: 0.4697375957268506
Energy: 0.47863452553944724
Energy: 0.4697375957268506
Energy: 0.47863452553944724
Energy: 0.38915839986774725
Energy: 0.43141609733818387
Energy: 0.3891583998686738
Energy: 0.4314160973372573
Energy: 0.3891583998686738
Energy: 0.43141609733818387
Energy: 0.38917955420358474
Energy: 0.4312973542810347
Energy: 0.3891795542027003
Energy: 0.4312973542801082
Energy: 0.38917955420358474
Energy: 0.4312973542792237
Energy: 0.4697584588132067
Energy: 0.4785589108864533
Energy: 0.4697584588113536
Energy: 0.4785589108864533
Energy: 0.4697584588122801
Energy: 0.47855891088737995
Energy: 0.3986237614825667
Energy: 0.3891396247910263
Energy: 0.3986237614825667
Energy: 0.3891396247910263
Energy: 0.3986237614825667
Energy: 0.38913962479195285
Energy: 0.43035349512222626
Energy: 0.46764632572218906
Energy: 0.43035349512222626
Energy: 0.46764632572126263
Energy: 0.43035349512222626
Energy: 0.46764632572218906
Energy: 0.4706046724905069
Energy: 0.39009086467318127
Energy: 0.4706046724895803
Energy: 0.3900908646741078
Energy: 0.4706046724905069
Energy: 0.39009086467318127
Energy: 0.3891383103160149
Energy: 0.3963196967585783
Energy: 0.3891383103160149
Energy: 0.39631969675765183
Energy: 0.3891383103160149
Energy: 0.39631969675765183
Energy: 0.4706059746358249
Energy: 0.39008416643022253
Energy: 0.4706059746358249
Energy: 0.3900841664311491
Energy: 0.4706059746367514
Energy: 0.3900841664311491
Energy: 0.42926409284122563
Energy: 0.46718988083741947
Energy: 0.4292640928403412
Energy: 0.4671898808364929
Energy: 0.4292640928403412
Energy: 0.4671898808364929
Energy: 0.3986456737282257
Energy: 0.3891529855205548
Energy: 0.3986456737282257
Energy: 0.3891529855196282
Energy: 0.3986456737282257
Energy: 0.3891529855196282
Energy: 0.4697375957249975
Energy: 0.47863452553944724
Energy: 0.4697375957268506
Energy: 0.47863452553944724
Energy: 0.4697375957259241
Energy: 0.4786345255403739
Energy: 0.38915839986774725
Energy: 0.43141609733818387
Energy: 0.3891583998686738
Energy: 0.4314160973372573
Energy: 0.3891583998686738
Energy: 0.43141609733818387
Energy: 0.3891795542027003
Energy: 0.4312973542801082
Energy: 0.3891795542027003
Energy: 0.4312973542801082
Energy: 0.3891795542027003
Energy: 0.4312973542801082
Energy: 0.4697584588122801
Energy: 0.4785589108864533
Energy: 0.4697584588122801
Energy: 0.4785589108864533
Energy: 0.4697584588132067
Energy: 0.47855891088737995

minimum gb energy = 0.3891383103150884 eV
minimum distance =  2.44648407304726 Angstroms
sigma value = 11


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

Energy: 0.5866448656656232
Energy: 0.7699940082194898
Energy: 0.586644865666302
Energy: 0.7699940082194898
Energy: 0.5866448656656232
Energy: 0.7699940082194898
Energy: -0.1102157196878476
Energy: 0.7357781342707084
Energy: -0.2767809125670464
Energy: 0.7357781342707084
Energy: -0.12197911128893392
Energy: 0.7357781342707084
Energy: 0.8196082885166509
Energy: 1.1799113255606595
Energy: 0.8204326989187203
Energy: 1.1799113255606595
Energy: 0.8204326989187203
Energy: 1.1799113255599807
Energy: 0.810177124888987
Energy: 0.08898929886699283
Energy: 0.8101771248855932
Energy: 0.08915324157496964
Energy: 0.8101771248883083
Energy: 0.08837404869437432
Energy: 0.7585039877365977
Energy: 0.5278928507411593
Energy: 0.758503987735919
Energy: 0.527892850741838
Energy: 0.7585039877365977
Energy: 0.5278928507411593
Energy: -0.8213246406111372
Energy: 0.3776800606827577
Energy: -1.016801303505446
Energy: 0.3628540333790459
Energy: -1.0173915161791423
Energy: 0.36115117070182784
Energy: -0.26124611971802664
Energy: 0.9962679542541253
Energy: -0.19374714591306547
Energy: 0.9962679542527678
Energy: -0.20159543010019046
Energy: 0.996267954254804
Energy: 0.8393558076222565
Energy: 0.11367738565563976
Energy: 0.8393558076222565
Energy: 0.04612937040171233
Energy: 0.8393558076229353
Energy: 0.04747045386809053
Energy: 0.7756926668458549
Energy: -0.38408588200109095
Energy: 0.7756926668472124
Energy: -0.3060394856109866
Energy: 0.7756926668472124
Energy: -0.36952116034295907
Energy: -0.49338889193575286
Energy: 1.0236795373059555
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Energy: 0.7901409044987435
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Energy: 0.2780797317606805
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Energy: 0.2775290278814695
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Energy: 0.6411977704498485
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Energy: 0.08378894235831705
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Energy: 0.8667322571306213
Energy: 1.2021742832249458
Energy: 0.8667322571313001
Energy: 1.2021742832249458
Energy: 0.8667322571313001

minimum gb energy = -1.0173915161791423 eV
minimum distance =  2.35540342919316 Angstroms
sigma value = 41


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

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Energy: 0.07883262852633471
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Energy: -0.1837322366292502
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Energy: -0.20779372208112284
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Energy: -0.20484446467578074
Energy: -0.2025858777093336
Energy: 0.2869532115605726
Energy: -0.11088291433293342
Energy: 0.2899454067854139
Energy: -0.1328828769704727
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Energy: 0.6518428791607433
Energy: 0.710252217134048
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Energy: -0.1080629904654096
Energy: -0.14242444250170858
Energy: -0.13907902067180555
Energy: -0.12300095177245414

minimum gb energy = -0.4585568255232697 eV
minimum distance =  2.26058982517995 Angstroms
sigma value = 33


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

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Energy: 0.589459085430948
Energy: 0.6706944744987259
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Energy: -0.7220798434830042
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Energy: 0.015706329302106133
Energy: 0.8736257362661857
Energy: 0.01537259158838755
Energy: 0.873625736264684

minimum gb energy = -1.6597382413386765 eV
minimum distance =  2.38480711481771 Angstroms
sigma value = 67


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

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Energy: 0.5995502339231293
Energy: 0.7174023193820845
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Energy: -0.16795715419727109
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Energy: 0.17961102401682483
Energy: -0.15918793989916466
Energy: -0.30296276413839096
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Energy: -0.2969117319956018
Energy: -0.15918606056923904
Energy: 0.7174023193838238
Energy: 0.5995502339231293
Energy: 0.7174023193830825
Energy: 0.5995502339231293
Energy: 0.717402319382826
Energy: 0.5995502339231293
Energy: 0.16977485116111996
Energy: -0.15999163329919944
Energy: -0.3030150713070976
Energy: -0.15986109664861964
Energy: -0.3028039008156457
Energy: -0.1600553560876394
Energy: -0.1596511935533652
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Energy: -0.17379848215406388
Energy: 0.7115118574959991
Energy: -0.16784880451688952
Energy: 0.7115118574962557

minimum gb energy = -0.3032521378554951 eV
minimum distance =  2.39074739683971 Angstroms
sigma value = 3


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

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Energy: 0.7868427032997675
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Energy: -1.5072694943327132
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Energy: -2.173955339521143
Energy: -1.6392293819226107
Energy: -2.2220852102159796
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Energy: -1.2168633060117493
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Energy: -1.2195097270068613
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Energy: -1.7383445487134705
Energy: -1.7630931803039767
Energy: -1.704141901425883
Energy: -1.7749282052807558

minimum gb energy = -2.436242823448845 eV
minimum distance =  2.3324405186852 Angstroms
sigma value = 81


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

Energy: 0.8472083618339503
Energy: 0.5513462474579917
Energy: 0.8472083618409373
Energy: 0.5513462466101525
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Energy: -0.9592923395849657
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Energy: -1.591222028710485
Energy: 0.2837021645390155
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Energy: -1.1581924414575462
Energy: 0.6752806399582687
Energy: -1.2010804122760559
Energy: 0.6752806399578002
Energy: -1.2203088688933772

minimum gb energy = -1.6520085485245244 eV
minimum distance =  2.3659006890597 Angstroms
sigma value = 43


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

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Energy: 0.024306113961019064
Energy: 0.9144240992525909
Energy: 0.030808715653143477
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Energy: -0.9350380567363971
Energy: -4.298619788100315e-06
Energy: -0.9915303824858555
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Energy: -0.548257916083495
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Energy: -0.18004500321704547
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Energy: 0.8532802078381913
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Energy: 0.8532802078393426
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Energy: 0.8532802078404937
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Energy: -0.21080002051143004
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Energy: -0.1894478110609851
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Energy: 0.7901560960406182
Energy: -0.46443198038327743
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Energy: -0.5827639450674439
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Energy: -0.5622414686436333
Energy: -0.13719233017549895
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Energy: -0.13654418012863026
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Energy: 0.7576836946648342
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Energy: 0.7467129459230416
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Energy: -0.003600208859460083
Energy: -0.9345424623161634
Energy: 0.01726773129855988
Energy: -0.8951694798866082
Energy: 0.0341445311794139
Energy: -0.8237133225887767

minimum gb energy = -1.1261398833992824 eV
minimum distance =  2.34969567056643 Angstroms
sigma value = 57


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

Energy: -0.0002966783539479311
Energy: -0.008845611095240525
Energy: 0.01581507341373548
Energy: -0.008845896171647471
Energy: 0.01556408838318198
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Energy: -0.36350042293864215
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Energy: -0.3633714812062021
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Energy: 0.2400934408081665
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Energy: 0.4322406966168869
Energy: 0.028365288148603267
Energy: 0.43224046824436785
Energy: 0.027867256223457808
Energy: 0.43224044113359694
Energy: 0.027645548023762127
Energy: 0.08917190907884881
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Energy: 0.2714450747840888
Energy: 0.09076796687962145
Energy: 0.27270195811634834
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Energy: -0.34087539624282603
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Energy: -0.023650309472642263
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Energy: -0.36336314514160584
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Energy: -0.3633565787364223
Energy: 0.7157428138252128
Energy: 0.2515301701360696
Energy: 0.7157428138259581
Energy: 0.251336833226165
Energy: 0.7157428138252128
Energy: 0.25195106792142324
Energy: -1.7031086268296778
Energy: -0.367211912947438
Energy: -1.7006945230366666
Energy: -0.37217884746480184
Energy: -1.6902465629542123
Energy: -0.3564725708007936
Energy: 0.09579776100539125
Energy: -0.02104155843899343
Energy: 0.09700695193877923
Energy: -0.021043448242255496
Energy: 0.09722170240327102
Energy: -0.021046703047862467
Energy: 0.3733757773417042
Energy: -0.29531833194277884
Energy: 0.3733732896781294
Energy: 0.04705380432677555
Energy: 0.3733643909612848
Energy: 0.04789750424509826
Energy: 0.7067564971446025
Energy: 0.6273502526573048
Energy: 0.7067564971632353
Energy: 0.6273502526580501
Energy: 0.7067564971535462
Energy: 0.6273502526587955
Energy: -0.28608548745662116
Energy: 0.2264678277604567
Energy: -0.3007766070137491
Energy: 0.22646782775971142
Energy: -0.30139587036900983
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Energy: -0.38835105973408873
Energy: -0.352108521560335
Energy: -0.38430168609571125
Energy: -0.3490498758263405
Energy: -0.3846278739930848

minimum gb energy = -1.7031086268296778 eV
minimum distance =  2.34208525438643 Angstroms
sigma value = 17


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

Energy: 0.8099819394591904
Energy: 0.7172482566825151
Energy: 0.8099819394591904
Energy: 0.7172482566825151
Energy: 0.8099819394591904
Energy: 0.7172482566825151
Energy: 0.5448513595648077
Energy: 0.5387178589500753
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Energy: 0.7638807119063274
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Energy: 0.8845891949920283
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Energy: 0.7893704093338154
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Energy: 0.7893704093327614
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Energy: 0.5661417418644047
Energy: 0.6877193179807352
Energy: 0.5661417418633506
Energy: 0.6877193179817891
Energy: 0.5661417418654586
Energy: 0.4642000004706963
Energy: 0.5092149814673845
Energy: 0.4642000004738584
Energy: 0.5097074235210607
Energy: 0.46420000046648013
Energy: 0.5100072583127374
Energy: -1.197847622138032
Energy: 0.5777875919621827
Energy: -1.0429309137686091
Energy: 0.5777875919621827
Energy: -1.2156788717886597
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Energy: 0.5932332965454085
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Energy: 0.5932332965380301
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Energy: 0.5932332965443545
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Energy: 0.5789278893700008
Energy: 0.6690040941126528
Energy: 0.5789278891213439
Energy: 0.6690040941126528
Energy: 0.57892788890747
Energy: 0.6690040941126528
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Energy: 0.576647745480058
Energy: -1.2338212410988458
Energy: 0.5766477454811121
Energy: -1.2007077476598496
Energy: 0.576647745480058
Energy: 0.5097466880128361
Energy: 0.7488828379991808
Energy: 0.5097466880138902
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Energy: 0.5097466880128361
Energy: 0.7488828379991808
Energy: 0.7200616282060348
Energy: 0.8256246357477959
Energy: 0.7200616282070889
Energy: 0.8256246357477959
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Energy: -0.7780215951906174
Energy: 0.6761463278643078
Energy: -1.1993880746362078
Energy: 0.6761463278643078
Energy: -0.7999050564077662
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Energy: -0.7148043747498898
Energy: 0.7502072490658648
Energy: -0.7968701037781687
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Energy: -0.8956955966969592
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Energy: 0.7192153250349085
Energy: -1.2031085904971701
Energy: 0.7192153250349085
Energy: -1.0425817937908672
Energy: 0.7192153250349085
Energy: -1.1294707845256047

minimum gb energy = -1.2338212410988458 eV
minimum distance =  2.35433021181826 Angstroms
sigma value = 17


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

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Energy: 0.678009635238003
Energy: 0.7578499958445808
Energy: 0.6780096352388171
Energy: 0.6336794692058733
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Energy: 0.705714677850141
Energy: 0.6350621914541021
Energy: 0.7050175529556201
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Energy: 0.6274903247528599
Energy: 0.6423645166156606
Energy: 0.5496790261254054
Energy: 0.76987570826063
Energy: 0.5496790261225563
Energy: 0.7698757082590019
Energy: 0.5496790261254054
Energy: 0.7698757082594089
Energy: 0.7131438533473297
Energy: 0.7032099048146702
Energy: 0.7131438533347118
Energy: 0.703209904812228
Energy: 0.7131438532895682
Energy: 0.703209904813449
Energy: 0.6792718117866536
Energy: 0.660852290611058
Energy: 0.6792718117870606
Energy: 0.6608522906130931
Energy: 0.6792718117866536
Energy: 0.6608522906094298
Energy: 0.757849995822231
Energy: 0.6780096352396311
Energy: 0.757849995821824
Energy: 0.6780096352404452
Energy: 0.7578499958254873
Energy: 0.6780096352404452
Energy: 0.6537411387784478
Energy: 0.665992227578348
Energy: 0.6537411387792618
Energy: 0.665992227578348
Energy: 0.6537411387812969
Energy: 0.6659922275767199
Energy: 0.7592912636631243
Energy: 0.7458052355373943
Energy: 0.7591687027270515
Energy: 0.745805235535359
Energy: 0.7592912636623103
Energy: 0.745805235534952
Energy: 0.5493710019034227
Energy: 0.6456519285414087
Energy: 0.5493476545042842
Energy: 0.6459722368069301
Energy: 0.5493710018997594
Energy: 0.6458783204011401
Energy: 0.6224739630372241
Energy: 0.6431801880674034
Energy: 0.6224739629534127
Energy: 0.6431801880690315
Energy: 0.6224739630254202
Energy: 0.6431801880694387

minimum gb energy = -0.8355046800096114 eV
minimum distance =  2.29928289027944 Angstroms
sigma value = 57


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

Energy: 0.7191903553284832
Energy: 0.5207300274477715
Energy: 0.7191903553298086
Energy: 0.520730027451025
Energy: 0.7191903553298086
Energy: 0.5207300274516877
Energy: 0.6043863448430248
Energy: 0.6005777534919763
Energy: 0.6043863448397111
Energy: 0.6005777534919763
Energy: 0.6043863448410365
Energy: 0.6005777534913135
Energy: 0.6447494999894496
Energy: 0.6459478333343248
Energy: 0.6447494999881241
Energy: 0.6459478333349876
Energy: 0.6447494999894496
Energy: 0.6459478333356504
Energy: 0.5788389161947485
Energy: 0.687545419384196
Energy: 0.5788389161920975
Energy: 0.6875454193835332
Energy: 0.5788389161914348
Energy: 0.6875454193835332
Energy: 0.605714973040718
Energy: 0.5746648650770035
Energy: 0.605714973040718
Energy: 0.5746648650763408
Energy: 0.6057149730446945
Energy: 0.574664865078329
Energy: 0.6301761536478057
Energy: 0.5965337043483548
Energy: 0.6301761536504565
Energy: 0.5965337043490176
Energy: 0.630176153649131
Energy: 0.5965337043496804
Energy: 0.5721023408243375
Energy: 0.6676350036545663
Energy: 0.5721023408210237
Energy: 0.6676350036539036
Energy: 0.5721023408250002
Energy: 0.6676350036545663
Energy: 0.4946516409353215
Energy: 0.6668184728459363
Energy: 0.4953922215062699
Energy: 0.6668184728147875
Energy: 0.49604389316435143
Energy: 0.6668184727763482
Energy: 0.6392738964148862
Energy: 0.5981380129679716
Energy: 0.6392738964142234
Energy: 0.598138012967309
Energy: 0.6392738964135607
Energy: 0.5981380129679716
Energy: 0.6100393541202864
Energy: 0.6436026805987486
Energy: 0.6100393541196236
Energy: 0.6436026805994113
Energy: 0.6100393541209491
Energy: 0.6436026805994113
Energy: 0.5488562555025174
Energy: 0.5299552706944508
Energy: 0.5488562555051684
Energy: 0.5284310268090228
Energy: 0.5488562554998665
Energy: 0.5283091322649902
Energy: 0.6575443168189422
Energy: 0.5803924791769953
Energy: 0.6575443168189422
Energy: 0.5803924791756698
Energy: 0.6575443168182794
Energy: 0.5803924791756698
Energy: 0.6092123179977761
Energy: 0.6446557318474633
Energy: 0.6092123179984389
Energy: 0.6446557318468006
Energy: 0.6092123179977761
Energy: 0.6446557318468006
Energy: 0.6011035345438044
Energy: 0.6355333474230156
Energy: 0.6011035345431417
Energy: 0.6355333474223528
Energy: 0.6011035345444672
Energy: 0.635533347424341
Energy: 0.7009444115411312
Energy: 0.6108444290654288
Energy: 0.700944411541794
Energy: 0.6108444290614523
Energy: 0.7009444115411312
Energy: 0.6108444290647661
Energy: 0.6073351864707699
Energy: 0.6093248255424409
Energy: 0.6073351864707699
Energy: 0.6093248255431036
Energy: 0.6073351864701072
Energy: 0.6093248255417781
Energy: 0.6200284646664489
Energy: 0.6108810121392032
Energy: 0.6200284646684371
Energy: 0.6108810121392032
Energy: 0.6200284646697626
Energy: 0.6108810121405287
Energy: 0.5913298909646657
Energy: 0.611252655214652
Energy: 0.5913298909633403
Energy: 0.611252655214652
Energy: 0.5913298909646657
Energy: 0.6112526552153146
Energy: 0.5866007720004507
Energy: 0.6473628061985582
Energy: 0.5866007720011135
Energy: 0.6473628061998836
Energy: 0.5866007720004507
Energy: 0.6473628061992209
Energy: 0.5916825021037304
Energy: 0.6842239428249874
Energy: 0.5916825021037304
Energy: 0.6842239428256502
Energy: 0.5916825021037304
Energy: 0.6842239428249874
Energy: 0.605177303452702
Energy: 0.6267132850009243
Energy: 0.6051773034348078
Energy: 0.6267132849962852
Energy: 0.6051773032903897
Energy: 0.6267132849982733
Energy: 0.5781304027160483
Energy: 0.6481429418523252
Energy: 0.5781304027160483
Energy: 0.6481429417788209
Energy: 0.5781304027160483
Energy: 0.6481429418523252
Energy: 0.6301461855858883
Energy: 0.6611187769777098
Energy: 0.630146185586551
Energy: 0.6611187769777098
Energy: 0.630146185586551
Energy: 0.6611187769777098
Energy: 0.6595868592148956
Energy: 0.615184067521455
Energy: 0.6595868592155583
Energy: 0.6151840675201296
Energy: 0.6595868592155583
Energy: 0.6151840675227804
Energy: 0.662907153666919
Energy: 0.6246961436665516
Energy: 0.6629071536655935
Energy: 0.6246961436625752
Energy: 0.662907153664268
Energy: 0.6246961436619124
Energy: 0.6067478447823941
Energy: 0.6599381280013713
Energy: 0.6067478447830568
Energy: 0.6599381280007085
Energy: 0.6067478447823941
Energy: 0.6599381280007085
Energy: 0.5739206104537734
Energy: 0.6381230273591725
Energy: 0.5739206104531107
Energy: 0.6381230273624862
Energy: 0.5739206104537734
Energy: 0.6381230273638117

minimum gb energy = 0.4946516409353215 eV
minimum distance =  2.36637018891562 Angstroms
sigma value = 43


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

Energy: 0.5697363700446805
Energy: 0.52413551780417
Energy: 0.5697363700451633
Energy: 0.52413551780417
Energy: 0.5697363700451633
Energy: 0.524135517804653
Energy: 0.5908330121992098
Energy: 0.5844443840816724
Energy: 0.590833012198727
Energy: 0.5844443840811896
Energy: 0.5908330121982441
Energy: 0.5844443840811896
Energy: 0.5918373459450558
Energy: 0.5833687764697959
Energy: 0.5918373459436072
Energy: 0.5833687764693131
Energy: 0.5918373459421585
Energy: 0.5833687764697959
Energy: 0.5447771452205944
Energy: 0.573419740552401
Energy: 0.5447771025496635
Energy: 0.5734197405519181
Energy: 0.5447770214060801
Energy: 0.5734197405519181
Energy: 0.5898734119806458
Energy: 0.49046204363525153
Energy: 0.5898734119791972
Energy: 0.49046204363428586
Energy: 0.5898734119811286
Energy: 0.49046204363428586
Energy: 0.5213581280218749
Energy: 0.519854347248022
Energy: 0.5213581280228407
Energy: 0.519854347248022
Energy: 0.5213581280218749
Energy: 0.5198543472489878
Energy: 0.49148198284127326
Energy: 0.5639410658783401
Energy: 0.4914819828021601
Energy: 0.5639410658773744
Energy: 0.4914819826993508
Energy: 0.5639410658793058
Energy: 0.5916837443612923
Energy: 0.46832202672165846
Energy: 0.5916837443593608
Energy: 0.46832202671972684
Energy: 0.5916837443593608
Energy: 0.4683220267187611
Energy: 0.5065846304970499
Energy: 0.510834420058779
Energy: 0.5065846304975329
Energy: 0.5108344200568475
Energy: 0.5065846304965671
Energy: 0.5108344200563646
Energy: 0.5980784153104963
Energy: 0.5376443913985212
Energy: 0.5980784153095308
Energy: 0.5376443913985212
Energy: 0.5980784153104963
Energy: 0.5376443913980382
Energy: 0.6597255296463199
Energy: 0.483804307602677
Energy: 0.6597255296458371
Energy: 0.48380430107850386
Energy: 0.6597255296458371
Energy: 0.48380428278793935
Energy: 0.513680255100011
Energy: 0.5119507853839065
Energy: 0.513680255100011
Energy: 0.5119507853829407
Energy: 0.5136802550990452
Energy: 0.5119507853834235
Energy: 0.5987144793149838
Energy: 0.5122401856540302
Energy: 0.5987144793145008
Energy: 0.5122401856540302
Energy: 0.5987144793145008
Energy: 0.5122401856535473
Energy: 0.6519777333283806
Energy: 0.4914608953363567
Energy: 0.6519777333293464
Energy: 0.49146068790126723
Energy: 0.6519777333283806
Energy: 0.49146034538290057
Energy: 0.5301787566968471
Energy: 0.5140721819253428
Energy: 0.5301787566968471
Energy: 0.5140721819258257
Energy: 0.53017875669733
Energy: 0.5140721819248599
Energy: 0.5446943203477059
Energy: 0.5214785396703937
Energy: 0.5446943203501202
Energy: 0.5214785396708765
Energy: 0.5446943203481889
Energy: 0.5214785396703937
Energy: 0.4944700568658338
Energy: 0.5638436927165075
Energy: 0.4944698022310265
Energy: 0.44942986261985624
Energy: 0.4944686823548881
Energy: 0.44942555179249
Energy: 0.545727584860708
Energy: 0.4897839331957507
Energy: 0.5457275848602251
Energy: 0.48978393319768215
Energy: 0.5457275848597423
Energy: 0.48978393319526775
Energy: 0.5206369363262978
Energy: 0.5421064954526998
Energy: 0.5206369363267807
Energy: 0.5421064954512512
Energy: 0.5206369363267807
Energy: 0.5421064954512512
Energy: 0.5227990320740056
Energy: 0.5087641027900501
Energy: 0.5227990320740056
Energy: 0.5087641027895673
Energy: 0.5227990320725568
Energy: 0.5087641027741592
Energy: 0.5869512999452088
Energy: 0.5409887629621325
Energy: 0.5869512999456916
Energy: 0.5409887629592353
Energy: 0.5869512999452088
Energy: 0.5409887629630982
Energy: 0.5910447912539302
Energy: 0.588088738531255
Energy: 0.5910447912534473
Energy: 0.588088738531255
Energy: 0.5910447912529644
Energy: 0.5880887385307721
Energy: 0.5572909675847639
Energy: 0.5839671674813761
Energy: 0.5572909675833152
Energy: 0.5839671674818591
Energy: 0.5572909675837981
Energy: 0.5839671674818591
Energy: 0.5400969162247422
Energy: 0.5268642935545071
Energy: 0.5400969161943209
Energy: 0.5268642935545071
Energy: 0.5400969161243475
Energy: 0.52686429355499
Energy: 0.545626743869124
Energy: 0.5375578876613268
Energy: 0.545626743869124
Energy: 0.5375578876627755
Energy: 0.5456267438686412
Energy: 0.5375578876627755
Energy: 0.5479802865065027
Energy: 0.5663535325211629
Energy: 0.5479802865074683
Energy: 0.5663535325211629
Energy: 0.5479802865069854
Energy: 0.5663535325216458
Energy: 0.4340387866407088
Energy: 0.5060684558597314
Energy: 0.4349607388759668
Energy: 0.5060684558587658
Energy: 0.5805670543798098
Energy: 0.5060684558573609
Energy: 0.46548012778765496
Energy: 0.5665495837633496
Energy: 0.46548012778572345
Energy: 0.5665495837614182
Energy: 0.4654801277866891
Energy: 0.566549583761901
Energy: 0.5050075292183697
Energy: 0.5378032830091533
Energy: 0.5050075292188526
Energy: 0.5378032830086703
Energy: 0.5050075292178868
Energy: 0.5378032830086703
Energy: 0.527292517549029
Energy: 0.4683152719543286
Energy: 0.5272925175495118
Energy: 0.46826497926878374
Energy: 0.5272925175495118
Energy: 0.46816050284154914
Energy: 0.4521894065457582
Energy: 0.5699462551649563
Energy: 0.4521894065467239
Energy: 0.5699462551654393
Energy: 0.5032332140191341
Energy: 0.5699462551639906
Energy: 0.5053334431677745
Energy: 0.5222640455303228
Energy: 0.5053334431687403
Energy: 0.5222640455303228
Energy: 0.505333443169706
Energy: 0.5222640455298398
Energy: 0.5108882196544084
Energy: 0.49845664987995875
Energy: 0.51088821962447
Energy: 0.4984566498814074
Energy: 0.5108882195897467
Energy: 0.49845664988237315
Energy: 0.4863907631398426
Energy: 0.5093851592026791
Energy: 0.4863907550006598
Energy: 0.5093851591992989
Energy: 0.48639061244338716
Energy: 0.5093851591901243
Energy: 0.5058740894550948
Energy: 0.5058398695221304
Energy: 0.5058740894546119
Energy: 0.5058398695216475
Energy: 0.5058740894546119
Energy: 0.5058398695216475
Energy: 0.46070061444095556
Energy: 0.4989998372574624
Energy: 0.46070061444095556
Energy: 0.4989998372656713
Energy: 0.46070061444192134
Energy: 0.49899983726856856

minimum gb energy = 0.4340387866407088 eV
minimum distance =  2.35393085197138 Angstroms
sigma value = 81


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

Energy: -0.03442255473266985
Energy: -0.0068432556217001075
Energy: -0.03442255473266985
Energy: -0.006843255619925899
Energy: -0.03442255473266985
Energy: -0.006843255619925899
Energy: 0.7344746852397213
Energy: 0.04130572674454259
Energy: 0.7344746852397213
Energy: 0.04130572674276838
Energy: 0.7344746852397213
Energy: 0.04130572674454259
Energy: 0.7344700714278397
Energy: 0.04109134839677414
Energy: 0.7344700714278397
Energy: 0.04109134839677414
Energy: 0.7344700714260655
Energy: 0.041091348398548354
Energy: -0.03442255473266985
Energy: -0.006843255619925899
Energy: -0.03442255473266985
Energy: -0.006843255619925899
Energy: -0.03442255473266985
Energy: -0.0068432556217001075
Energy: 0.7344746852397213
Energy: 0.041305726735671545
Energy: 0.7344746852397213
Energy: 0.041305726735671545
Energy: 0.7344746852397213
Energy: 0.04130572673389733
Energy: 0.7344700714260655
Energy: 0.0410913484074194
Energy: 0.7344700714278397
Energy: 0.0410913484074194
Energy: 0.7344700714260655
Energy: 0.041091348405645184
Energy: -0.03442255473266985
Energy: -0.006843255619925899
Energy: -0.03442255473266985
Energy: -0.006843255619925899
Energy: -0.03442255473266985
Energy: -0.006843255619925899
Energy: 0.7344746852397213
Energy: 0.041305726730348914
Energy: 0.7344746852397213
Energy: 0.0413057267285747
Energy: 0.7344746852397213
Energy: 0.0413057267285747
Energy: 0.7344700714242912
Energy: 0.04109134841802433
Energy: 0.7344700714242912
Energy: 0.04109134841802433
Energy: 0.7344700714260655
Energy: 0.04109134841802433
Energy: -0.03442255473266985
Energy: -0.006843255619925899
Energy: -0.03442255473266985
Energy: -0.006843255619925899
Energy: -0.03442255473266985
Energy: -0.006843255619925899

minimum gb energy = -0.03442255473266985 eV
minimum distance =  2.52924509003316 Angstroms
sigma value = 3


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

Energy: 0.3626005085515693
Energy: 0.3544218017510789
Energy: 0.36260050855210024
Energy: 0.3544218017510789
Energy: 0.3626005085515693
Energy: 0.35442180175160987
Energy: 0.2251802912575656
Energy: 0.2825188135668032
Energy: 0.22518029125124264
Energy: 0.28251881356733416
Energy: 0.22518029124752606
Energy: 0.28251881356733416
Energy: 0.3415995047817574
Energy: 0.26803095003401134
Energy: 0.34159950477804085
Energy: 0.26803095003401134
Energy: 0.34159950474464007
Energy: 0.26803095003401134
Energy: 0.26338307012890116
Energy: 0.2850961278380153
Energy: 0.26338307013049395
Energy: 0.2850961119572997
Energy: 0.26338307012890116
Energy: 0.2850960869252071
Energy: 0.2883942147840611
Energy: 0.28391878444192986
Energy: 0.28839421478459204
Energy: 0.28391878444139895
Energy: 0.288394214785123
Energy: 0.28391878444139895
Energy: 0.33602914869372824
Energy: 0.2986525804153437
Energy: 0.33602914869001166
Energy: 0.29865258041428183
Energy: 0.3360291486586863
Energy: 0.2986525804148128
Energy: 0.31384294955622943
Energy: 0.43332698269540454
Energy: 0.31384294955622943
Energy: 0.4333269826938117
Energy: 0.3138429495567604
Energy: 0.4333269826932808
Energy: 0.15142601513316042
Energy: 0.28514503394560003
Energy: 0.15142601512944387
Energy: 0.28514503394453816
Energy: 0.15142601513475326
Energy: 0.28514503394560003
Energy: 0.34663629146486263
Energy: 0.3100317310289954
Energy: 0.3466362914643317
Energy: 0.31003173102952636
Energy: 0.34663629146486263
Energy: 0.3100317310289954
Energy: 0.3132564352542463
Energy: 0.277208317990669
Energy: 0.3132564352542463
Energy: 0.27720831784205485
Energy: 0.3132564352542463
Energy: 0.27720831745360197
Energy: -1.2500534321689551
Energy: 0.28543533621832196
Energy: -1.2816581864915064
Energy: 0.285435336217791
Energy: -1.294104014607196
Energy: 0.28543533621726
Energy: 0.35910972837792987
Energy: 0.3550057300616288
Energy: 0.3591097290800218
Energy: 0.35500535929346494
Energy: 0.3591096996967064
Energy: 0.3550048630016771
Energy: 0.2845052948591909
Energy: 0.24567952938021345
Energy: 0.2845052948591909
Energy: 0.24567952938021345
Energy: 0.2845052948591909
Energy: 0.2456795293796825
Energy: 0.4219409040202921
Energy: 0.2664412943733215
Energy: 0.4219409040208231
Energy: 0.26644129437279057
Energy: 0.4219409040208231
Energy: 0.2664412943717287
Energy: 0.31368152624031487
Energy: 0.3388746409380521
Energy: 0.31368152624137674
Energy: 0.33887464092053116
Energy: 0.31368152624084583
Energy: 0.33887464091946934
Energy: 0.2846068353190969
Energy: 0.2897814242651463
Energy: 0.2846068353190969
Energy: 0.2897814242662082
Energy: 0.2846068353190969
Energy: 0.28978142426355347
Energy: 0.26082406021238475
Energy: 0.4113943434362882
Energy: 0.26082406021291565
Energy: 0.41139434343735015
Energy: 0.2608240602070753
Energy: 0.4113943434362882
Energy: 0.2713140628952197
Energy: 0.29903389363202143
Energy: 0.2713140628946888
Energy: 0.29903388368457656
Energy: 0.2713140628941578
Energy: 0.2990338706192276
Energy: 0.28461369039123136
Energy: 0.22531633804042653
Energy: 0.28461369039123136
Energy: 0.2253163380345862
Energy: 0.28461369039070045
Energy: 0.22531633803777182
Energy: 0.3166016211878354
Energy: 0.3259259139911219
Energy: 0.3166016210126744
Energy: 0.3259259139916528
Energy: 0.3166016204183145
Energy: 0.3259259139921838
Energy: 0.26944595040117403
Energy: 0.14625941144714735
Energy: 0.26944595040117403
Energy: 0.14625941144661642
Energy: 0.2694459504006431
Energy: 0.14625941144714735
Energy: 0.2705907719379161
Energy: 0.2968868413947644
Energy: 0.2705907719379161
Energy: 0.29688684139423344
Energy: 0.2705907719379161
Energy: 0.29688684139423344
Energy: 0.3296226589168191
Energy: 0.2707372323077644
Energy: 0.28093750109577115
Energy: 0.2707372323088263
Energy: 0.2807351069400889
Energy: 0.2707372323088263
Energy: 0.2517411945286903
Energy: 0.14914119459174607
Energy: 0.2516971748752538
Energy: 0.14914119459068417
Energy: 0.22015793582015566
Energy: 0.14914119459121514
Energy: 0.2844033545172804
Energy: 0.3212544150445689
Energy: 0.2844033545172804
Energy: 0.3212544148333525
Energy: 0.28440335451781135
Energy: 0.32125441466562454
Energy: 0.3410948076072521
Energy: 0.2832535780454923
Energy: 0.34109480760517663
Energy: 0.2832535780449614
Energy: 0.34109480760464567
Energy: 0.2832535780454923
Energy: 0.3116664344910381
Energy: 0.20292433966207188
Energy: 0.31166642451757726
Energy: 0.20292433966207188
Energy: 0.3116663841359958
Energy: 0.20292433966207188
Energy: 0.31292475160234784
Energy: 0.35303804781499737
Energy: 0.3129247516018169
Energy: 0.35303804781552833
Energy: 0.3129247516018169
Energy: 0.35303804781446646
Energy: 0.3849397080781739
Energy: 0.2834188614870637
Energy: 0.38493970807711203
Energy: 0.28341886148759465
Energy: 0.38493970808029765
Energy: 0.28341886148759465
Energy: 0.3146201346900192
Energy: 0.41927968796585946
Energy: 0.31462013469214295
Energy: 0.41927968796639037
Energy: 0.31462013468417893
Energy: 0.4192796879642666
Energy: 0.3384181533013171
Energy: 0.3524489179411912
Energy: 0.3384181533013171
Energy: 0.35244891794278405
Energy: 0.338418153301848
Energy: 0.3524489179401294
Energy: 0.35031321821118594
Energy: 0.2991112860154182
Energy: 0.35031321821118594
Energy: 0.29911128601594916
Energy: 0.350313218210655
Energy: 0.29911128601594916
Energy: 0.2689646067025809
Energy: 0.33211041243521516
Energy: 0.2689646067020499
Energy: 0.33211041243096767
Energy: 0.2689646067020499
Energy: 0.3321104124325605

minimum gb energy = -1.294104014607196 eV
minimum distance =  2.37444638392865 Angstroms
sigma value = 67


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

Energy: 0.6112322196009243
Energy: 0.42655671087610036
Energy: 0.6112322196016808
Energy: 0.4265567108692917
Energy: 0.6112322196016808
Energy: 0.4265567108723177
Energy: 0.4158036391503112
Energy: 0.05086437178588058
Energy: 0.41580363914879814
Energy: 0.050864371776045754
Energy: 0.41580363915106777
Energy: 0.050864371769993554
Energy: 0.47312417552306885
Energy: 0.046509044052737036
Energy: 0.4731241755215558
Energy: 0.0465090440519805
Energy: 0.47312417552306885
Energy: 0.046509044058789244
Energy: 0.058410604481577026
Energy: 0.5076571507573726
Energy: 0.058410604482333546
Energy: 0.5076571507581291
Energy: 0.058410604479307446
Energy: 0.507657150756616
Energy: 0.4612029563398801
Energy: 0.27330232251325115
Energy: 0.4612029563398801
Energy: 0.27330232251400766
Energy: 0.4612029563398801
Energy: 0.27330232251173814
Energy: 0.48449908989048235
Energy: 0.42552127880479484
Energy: 0.4844990898912389
Energy: 0.42552127881160356
Energy: 0.48449908989048235
Energy: 0.4255212788123601
Energy: 0.30936462115257346
Energy: 0.4901476750738203
Energy: 0.30936462115181695
Energy: 0.49014767500043727
Energy: 0.30936462115181695
Energy: 0.4901476749203144
Energy: 0.5509006047045336
Energy: 0.28728842957970724
Energy: 0.5509006047045336
Energy: 0.28728842957970724
Energy: 0.550900604703777
Energy: 0.28728842958122036
Energy: 0.4979405728213224
Energy: -2.229773662762994
Energy: 0.49794057281980936
Energy: -2.1492176184429486
Energy: 0.49794057281980936
Energy: -2.136988309438903
Energy: 0.4309307840163686
Energy: 0.4623793988959593
Energy: 0.4309307840163686
Energy: 0.4623793988959593
Energy: 0.4309307840163686
Energy: 0.46237939889671587
Energy: 0.4456010056208848
Energy: 0.43062257371216783
Energy: 0.44560094556734675
Energy: 0.43062257371216783
Energy: 0.4456007724301773
Energy: 0.43062257371065477
Energy: 0.42862739429097835
Energy: 0.4199991803282057
Energy: 0.42862739429022184
Energy: 0.41996547896580605
Energy: 0.42862739429097835
Energy: 0.41990506699013974
Energy: 0.43051394891155415
Energy: 0.43847783641148325
Energy: 0.43051394891155415
Energy: 0.4384778364099702
Energy: 0.4305139489107977
Energy: 0.43847783641223975
Energy: 0.4681541966968178
Energy: 0.06000982846080744
Energy: 0.4681541966968178
Energy: 0.06000982845853787
Energy: 0.4681541966953048
Energy: 0.06000982845929439
Energy: 0.37002571718340305
Energy: 0.3932333852503491
Energy: 0.37002571718340305
Energy: 0.39323338524883605
Energy: 0.37002571718415955
Energy: 0.39323338524883605
Energy: 0.05633033246539669
Energy: 0.44111933140187853
Energy: 0.056330332464640163
Energy: 0.4411193314033916
Energy: 0.056330332466909744
Energy: 0.44111933140263504
Energy: 0.4942164926428823
Energy: 0.06178755226830661
Energy: 0.49421649259982914
Energy: 0.06178755226755008
Energy: 0.4942164925226636
Energy: 0.061787552269819655
Energy: 0.34448495883391167
Energy: 0.4344367329248965
Energy: 0.3444849588331551
Energy: 0.4344367329241399
Energy: 0.34448495883164204
Energy: 0.4344367329248965
Energy: 0.5205901515786523
Energy: 0.47327730905554316
Energy: 0.5205901515756262
Energy: 0.4732773090532736
Energy: 0.5205901515778958
Energy: 0.4732773090547866
Energy: 0.4376137893965308
Energy: 0.06192537938936947
Energy: 0.43761378939350465
Energy: 0.061925379390126
Energy: 0.4376137893957743
Energy: 0.06192537938785643
Energy: -2.4422891874287003
Energy: 0.4418266278865341
Energy: -2.2922368273519718
Energy: 0.4418266278865341
Energy: -2.5556226113039004
Energy: 0.4418266278872906
Energy: 0.27272198478567933
Energy: -2.1762150624152437
Energy: 0.27272198478567933
Energy: -2.003839356261567
Energy: 0.2727219847826532
Energy: -2.1777347008413357
Energy: 0.47315731784770876
Energy: 0.0470702445074598
Energy: 0.47315731784846526
Energy: 0.0470702445074598
Energy: 0.47315731784543913
Energy: 0.0470702445074598

minimum gb energy = -2.5556226113039004 eV
minimum distance =  2.36260686653972 Angstroms
sigma value = 33


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

Energy: 0.4519737594505933
Energy: 0.5669453867565124
Energy: 0.4519737594539528
Energy: 0.5669453867569924
Energy: 0.45197375945491264
Energy: 0.5669453867569924
Energy: 0.49518067690822326
Energy: 0.38246591705354765
Energy: 0.49518067690678336
Energy: 0.3824659170540276
Energy: 0.49518067690678336
Energy: 0.38246591705354765
Energy: 0.4330090199271108
Energy: 0.3711008631293588
Energy: 0.43300901992615093
Energy: 0.3711008631303186
Energy: 0.43300901992663093
Energy: 0.3711008631293588
Energy: 0.3895739569500657
Energy: 0.6055675454219746
Energy: 0.3895739569500657
Energy: 0.6055675454224544
Energy: 0.38957395694670616
Energy: 0.6055675454195749
Energy: 0.5827451008047367
Energy: 0.39215649165144056
Energy: 0.5827451008056966
Energy: 0.39215649165192046
Energy: 0.5827451008052168
Energy: 0.3921564916509606
Energy: -1.010951190633333
Energy: 0.6047627890481604
Energy: -1.109137682531297
Energy: -0.6905370791155603
Energy: -0.9994980316701836
Energy: 0.5796383591352069
Energy: 0.3726306177756036
Energy: 0.6073923536515372
Energy: 0.37263061777752327
Energy: 0.6073923536520173
Energy: 0.3726306177789631
Energy: 0.607392353652497
Energy: 0.6770816920627063
Energy: 0.5623559219168507
Energy: 0.6770816920651059
Energy: 0.5623559219168507
Energy: 0.6770816920631862
Energy: 0.5623559219173305
Energy: 0.5256479818019272
Energy: 0.5588830372899661
Energy: 0.5256479818014473
Energy: 0.5588830372851668
Energy: 0.5256479818014473
Energy: 0.5588830372798876
Energy: 0.07101279650027524
Energy: 0.6361074486711887
Energy: 0.07101279650267488
Energy: 0.6799743081235553
Energy: 0.07101279650171503
Energy: 0.5648467066126968
Energy: 0.5876028990745448
Energy: 0.421361178030597
Energy: 0.5876028990745448
Energy: 0.421361178031077
Energy: 0.5876028990735849
Energy: 0.4213611780320367
Energy: 0.5081042125039511
Energy: 0.5401414843210885
Energy: 0.5081042125029913
Energy: 0.5401414843215684
Energy: 0.5081042125034712
Energy: 0.5401414843220483
Energy: 0.08147101781170626
Energy: 0.4549384475078382
Energy: 0.08147101781218617
Energy: 0.4549384475063984
Energy: 0.08147101781266611
Energy: 0.4549384475073582
Energy: 0.5171595864564954
Energy: 0.3844624838449301
Energy: 0.5171595864569754
Energy: 0.3844624838434903
Energy: 0.5171595864579352
Energy: 0.3844624838430104
Energy: 0.4546890594115252
Energy: 0.5307296566101978
Energy: 0.45468905941344495
Energy: 0.5307296566111577
Energy: 0.4546890594120051
Energy: 0.5307296566101978
Energy: 0.39099600425092207
Energy: 0.523497668407158
Energy: 0.39099600425092207
Energy: 0.5234976683870448
Energy: 0.39099600424900244
Energy: 0.5234976683755266
Energy: 0.5864147803384616
Energy: 0.3706291639263877
Energy: 0.5864147803384616
Energy: 0.37062916392302825
Energy: 0.5864147803389415
Energy: 0.37062916392974715
Energy: 0.4504020442551484
Energy: -1.4122804679892795
Energy: 0.4504073572258866
Energy: -1.2990313980744372
Energy: 0.4503954662211316
Energy: -1.299880437029308
Energy: 0.4904291397294719
Energy: 0.6365977908923233
Energy: 0.49042913972851204
Energy: 0.636597790893283
Energy: 0.4904291397299518
Energy: 0.636597790893763
Energy: 0.6075014632919401
Energy: 0.38331987243427185
Energy: 0.60750146329242
Energy: 0.3833198724366715
Energy: 0.6075014632919401
Energy: 0.38331987243619153
Energy: 0.37098680004900103
Energy: 0.5221271940807424
Energy: 0.3709868000499608
Energy: 0.5221271940059177
Energy: 0.37098680005140067
Energy: 0.5221271938922188
Energy: 0.48216869877424184
Energy: 0.5689285430794886
Energy: 0.48216869877328195
Energy: 0.5689285430790088
Energy: 0.48216869877328195
Energy: 0.5689285430790088
Energy: 0.6136378167601303
Energy: 0.39274262246353975
Energy: 0.6136378081617901
Energy: 0.3927426224611401
Energy: 0.6136377818059117
Energy: 0.39274262246353975
Energy: 0.07458225545731563
Energy: 0.5209062974252869
Energy: 0.07458225545923534
Energy: 0.5209062974257669
Energy: 0.07458225546163497
Energy: 0.5209062974238472
Energy: 0.37445201368269565
Energy: 0.5199896282599005
Energy: 0.374452013680296
Energy: 0.5199896282599005
Energy: 0.37445201367981606
Energy: 0.5199896282608604
Energy: 0.6800284933191646
Energy: 0.5239040966056915
Energy: 0.6800284933196444
Energy: 0.5239040966066513
Energy: 0.6800284933196444
Energy: 0.5239040966056915
Energy: 0.37186178964521455
Energy: 0.5594720479850742
Energy: 0.37186178964425465
Energy: 0.5594720479845945
Energy: 0.37186178964521455
Energy: 0.5594720479841144
Energy: 0.3726994887534021
Energy: 0.5987686181937099
Energy: 0.3726994887534021
Energy: -0.6969381774733143
Energy: 0.37269948875148246
Energy: -0.3164266714928122
Energy: 0.6135871049678595
Energy: 0.41851125556392116
Energy: 0.6135871049664198
Energy: 0.4185112555653609
Energy: 0.6135871049659397
Energy: 0.4185112555634412
Energy: 0.3908335847125967
Energy: 0.6068544574648993
Energy: 0.3908335847125967
Energy: 0.6068544574644195
Energy: 0.3908335847125967
Energy: 0.6068544574644195
Energy: 0.4735043702397713
Energy: -1.0487293383679228
Energy: -0.9484200907533158
Energy: -1.439317938922355
Energy: -1.2501622763255298
Energy: -1.3667649739614782
Energy: 0.5726242267406945
Energy: 0.38172969395095513
Energy: 0.5726242267416543
Energy: 0.38172969395095513
Energy: 0.5726242267411743
Energy: 0.38172969395095513
Energy: 0.4902978290601114
Energy: 0.521419650335352
Energy: 0.4902978290596315
Energy: 0.5214196502844798
Energy: 0.49029782905771174
Energy: 0.5214196502038961
Energy: 0.2528350647349054
Energy: 0.3833968958795437
Energy: 0.2528350647401846
Energy: 0.3833968958785838
Energy: 0.25283506473442546
Energy: 0.3833968958795437
Energy: 0.5180337851369134
Energy: 0.3702522608593144
Energy: 0.5180337851364336
Energy: 0.37025226085691476
Energy: 0.5180337851364336
Energy: 0.37025226085115565
Energy: 0.08663555389206294
Energy: 0.46928939166052397
Energy: 0.08663555389446256
Energy: 0.4692893916619637
Energy: 0.08663555389446256
Energy: 0.4692893916619637
Energy: 0.5114151753391379
Energy: 0.4911265690563977
Energy: 0.5114151753391379
Energy: 0.49112656905495783
Energy: 0.5114151753396179
Energy: 0.49112656905591767

minimum gb energy = -1.439317938922355 eV
minimum distance =  2.37881759328542 Angstroms
sigma value = 41


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

Energy: 0.7017245861481343
Energy: 0.7284529638525601
Energy: 0.7017245861481343
Energy: 0.7284529638512497
Energy: 0.7017245861481343
Energy: 0.7284529638512497
Energy: 0.754935870305892
Energy: 0.7267186699159834
Energy: 0.754935870305892
Energy: 0.7267186699159834
Energy: 0.754935870305892
Energy: 0.7267186699159834
Energy: 0.8218595637516126
Energy: 0.7244006405886866
Energy: 0.9313843551682282
Energy: 0.724400640589997
Energy: 0.7963787804056296
Energy: 0.7244006405886866
Energy: 0.6940363691571994
Energy: 0.8131398147559584
Energy: 0.694036369155889
Energy: 0.8131398147572686
Energy: 0.694036369155889
Energy: 0.8131398147572686
Energy: 0.7932923663373179
Energy: 0.7320850163743273
Energy: 0.7932923663373179
Energy: 0.7320850163743273
Energy: 0.7932923663373179
Energy: 0.7320850163743273
Energy: 0.8111304921808136
Energy: 0.807041503912646
Energy: 0.8111304921795032
Energy: 0.807041503912646
Energy: 0.8111304921808136
Energy: 0.807041503912646
Energy: 0.6945580564529096
Energy: 0.7742705266141865
Energy: 0.6945580564529096
Energy: 0.7742705266141865
Energy: 0.6945580564529096
Energy: 0.7742705266141865
Energy: 0.7422874670670611
Energy: 0.7273782518511922
Energy: 0.7422874670670611
Energy: 0.7273782518511922
Energy: 0.7422874670683713
Energy: 0.7273782518511922
Energy: 0.7604693397732954
Energy: 0.7479955176472326
Energy: 0.7604693397732954
Energy: 0.7479955176472326
Energy: 0.7604693397732954
Energy: 0.7479955176472326
Energy: 0.697010957649848
Energy: 0.7983281751705991
Energy: 0.697010957649848
Energy: 0.7983281751705991
Energy: 0.6970109576511584
Energy: 0.7983281751692887
Energy: 0.7539901143345713
Energy: 0.725230568695919
Energy: 0.7539901143345713
Energy: 0.725230568695919
Energy: 0.753990114333261
Energy: 0.7252305686972292
Energy: 0.7540826873322505
Energy: 0.7257909879560359
Energy: 0.7540826873309401
Energy: 0.7257909879560359
Energy: 0.7540826873322505
Energy: 0.7257909879560359
Energy: 0.7309761830486856
Energy: 0.8100558032345884
Energy: 0.7309761830486856
Energy: 0.8100558032372092
Energy: 0.7309761830486856
Energy: 0.8100558032345884
Energy: 0.7925566687245293
Energy: 0.7269334267679735
Energy: 0.7925566687245293
Energy: 0.7269334267692837
Energy: 0.7925566687245293
Energy: 0.7269334267692837

minimum gb energy = 0.694036369155889 eV
minimum distance =  2.36998863713538 Angstroms
sigma value = 11


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

Energy: 0.8539933518921742
Energy: 0.9161289007147656
Energy: 0.8539933518921742
Energy: 0.9161289007147656
Energy: 0.8539933518933254
Energy: 0.9161289007153411
Energy: 0.9104095264755119
Energy: 0.867521384585631
Energy: 0.910409526474936
Energy: 0.8675213845862065
Energy: 0.9104095264755119
Energy: 0.8675213845862065
Energy: 1.0047239671726922
Energy: 0.884872721195474
Energy: 1.0047239671738437
Energy: 0.8848727211948982
Energy: 1.0047239671732677
Energy: 0.8848727211948982
Energy: 0.8474619330181312
Energy: 0.9552772773254212
Energy: 0.8474619330181312
Energy: 0.9552772773254212
Energy: 0.8474619330187069
Energy: 0.9552772773248457
Energy: 0.9814113683034228
Energy: 0.9080405534232543
Energy: 0.9814113573598158
Energy: 0.9080405534238299
Energy: 0.9814113210548611
Energy: 0.9080405534238299
Energy: 0.8781380773894807
Energy: 0.8841286973508287
Energy: 0.8781380773894807
Energy: 0.8841286975245904
Energy: 0.8781380773900562
Energy: 0.884128697876143
Energy: 0.8724098081858465
Energy: 1.0037139219302342
Energy: 0.8724098081858465
Energy: 1.0037139219296585
Energy: 0.872409808186422
Energy: 1.0037139219308095
Energy: 0.9676937532261644
Energy: 0.8643340419636254
Energy: 0.9676937532255887
Energy: 0.864334041964201
Energy: 0.9676937532250132
Energy: 0.864334041964201
Energy: 0.9569189357265575
Energy: 0.864781212994759
Energy: 0.956918935725982
Energy: 0.8647812129941834
Energy: 0.956918935725982
Energy: 0.8647812129941834
Energy: 0.8953186864522978
Energy: 0.9664222578083121
Energy: 0.8953186864528734
Energy: 0.9664222578083121
Energy: 0.8953186864528734
Energy: 0.9664222578094632
Energy: 0.9657748737206564
Energy: 0.8996969648220233
Energy: 0.9657748737218077
Energy: 0.8996969648225989
Energy: 0.9657748737212322
Energy: 0.8996969648220233
Energy: 0.9561072204940415
Energy: 0.9293586593868512
Energy: 0.956107220494617
Energy: 0.9293586593868512
Energy: 0.956107220494617
Energy: 0.9293586593857
Energy: 0.8663144056129828
Energy: 0.9521706421261364
Energy: 0.8663144056181634
Energy: 0.9521706421261364
Energy: 0.8663144056175879
Energy: 0.9521706421261364
Energy: 1.0267022223460418
Energy: 0.858780754793341
Energy: 1.0267022223471933
Energy: 0.858780754793341
Energy: 1.0267022223466176
Energy: 0.858780754793341
Energy: 0.9300379969097752
Energy: 0.8843252383526944
Energy: 0.9440642506386567
Energy: 0.8843252383561483
Energy: 0.9440642506392324
Energy: 0.8843252383538458
Energy: 0.8841584691748173
Energy: 0.9463539593612262
Energy: 0.8841584691748173
Energy: 0.9463539593618019
Energy: 0.8841584691759686
Energy: 0.9463539593618019
Energy: 0.945009687744432
Energy: 0.8902850728956441
Energy: 0.9450096877438562
Energy: 0.8902850728933416
Energy: 0.945009687744432
Energy: 0.8902850728939173
Energy: 0.9415419413219197
Energy: 0.9412367773816447
Energy: 0.9415419413219197
Energy: 0.9412367773804934
Energy: 0.9415419413219197
Energy: 0.9412367773804934
Energy: 0.8970161341983479
Energy: 0.9386514125203069
Energy: 0.8970161341983479
Energy: 0.9386514125214582
Energy: 0.8970161341983479
Energy: 0.9386514125203069
Energy: 0.9320991376777168
Energy: 0.8811783218410818
Energy: 0.9320991375983061
Energy: 0.8811783218410818
Energy: 0.9320991373664321
Energy: 0.881178321842233
Energy: 0.8786013198677691
Energy: 0.9232275785626449
Energy: 0.8786013198683447
Energy: 0.9232275785620694
Energy: 0.8786013198723742
Energy: 0.9232275785620694
Energy: 0.8252048499715673
Energy: 0.9995134506148912
Energy: 0.8252048499709917
Energy: 0.9995134506143155
Energy: 0.8252048499709917
Energy: 0.9995134506148912
Energy: 0.9746480480728138
Energy: 0.8843472443847499
Energy: 0.9746480480716627
Energy: 0.8843472443847499
Energy: 0.974648048071087
Energy: 0.8843472443847499
Energy: 0.9599698009669799
Energy: 0.8676696082740202
Energy: 0.9599698009669799
Energy: 0.8676696082745959
Energy: 0.9599698009669799
Energy: 0.8676696082740202
Energy: 0.8965008245448416
Energy: 0.9534395081940605
Energy: 0.8965008245442658
Energy: 0.9534395081952118
Energy: 0.8965008245442658
Energy: 0.9534395081946361
Energy: 0.9830783334758155
Energy: 0.885507259076653
Energy: 0.9830783334752398
Energy: 0.8855072590778043
Energy: 0.9830783334763912
Energy: 0.885507259076653
Energy: 0.8907511397792247
Energy: 1.0150049637806526
Energy: 0.8907511397792247
Energy: 1.015004963780077
Energy: 0.8907511397792247
Energy: 1.0150049637806526
Energy: 0.8668153183747291
Energy: 0.9214298209470969
Energy: 0.8668153183730022
Energy: 0.9214298209476727
Energy: 0.8668153183741535
Energy: 0.9214298209470969
Energy: 0.9567294507854541
Energy: 0.8537913560310305
Energy: 0.9567294507854541
Energy: 0.8537913560281524
Energy: 0.9567294507848786
Energy: 0.8537913560252743
Energy: 0.9088219203886495
Energy: 0.8891623297797583
Energy: 0.908821920388074
Energy: 0.8891623297803339
Energy: 0.9088219203886495
Energy: 0.8891623297803339
Energy: 0.8957753224427422
Energy: 0.9925202766864454
Energy: 0.8957753224427422
Energy: 0.9925202766864454
Energy: 0.8957753224421664
Energy: 0.9925202766875967

minimum gb energy = 0.8252048499709917 eV
minimum distance =  2.31719600490564 Angstroms
sigma value = 57


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

Energy: 0.9676475548338102
Energy: 1.017925864833153
Energy: 0.9676475548338102
Energy: 1.0179258648341774
Energy: 0.9676475548338102
Energy: 1.017925864833153
Energy: 0.9626812046485332
Energy: 1.195587882808011
Energy: 0.9626812046516063
Energy: 1.195587882808011
Energy: 0.9626812046505818
Energy: 1.1955878828069868
Energy: 1.1365677637439373
Energy: 1.0235403430362355
Energy: 1.1365677637449618
Energy: 1.0235403430362355
Energy: 1.1365677637449618
Energy: 1.0235403430362355
Energy: 0.9590350009739682
Energy: 1.2295573169197613
Energy: 0.9590350009749926
Energy: 1.1043684323877165
Energy: 0.9590350009760169
Energy: 1.1043684323877165
Energy: 1.1364830727463149
Energy: 1.023408150769061
Energy: 1.1364830727463149
Energy: 1.0234081507680368
Energy: 1.1364830727463149
Energy: 1.0234081507680368
Energy: 0.9624101666617186
Energy: 1.1823080050985764
Energy: 0.9624101666617186
Energy: 1.0133264907323425
Energy: 0.962410166662743
Energy: 1.0133264907323425
Energy: 0.9676475548327859
Energy: 1.0179258648341774
Energy: 0.9676475548327859
Energy: 1.0179258648352016
Energy: 0.9676475548327859
Energy: 1.0179258648341774
Energy: 0.9626812046536548
Energy: 1.195587882808011
Energy: 0.9626812046516063
Energy: 1.195587882808011
Energy: 0.9626812046516063
Energy: 1.1955878828090354
Energy: 1.1365677637449618
Energy: 1.0235403430352115
Energy: 1.1365677637449618
Energy: 1.0235403430352115
Energy: 1.1365677637459861
Energy: 1.0235403430352115
Energy: 0.9590350009739682
Energy: 1.1524732832880995
Energy: 0.9590350009760169
Energy: 1.1524732832880995
Energy: 0.9590350009749926
Energy: 1.1524732832880995
Energy: 1.1364830727463149
Energy: 1.0234081507680368
Energy: 1.1364830727452904
Energy: 1.0234081507680368
Energy: 1.1364830727452904
Energy: 1.0234081507670125
Energy: 0.962410166662743
Energy: 1.1823080050996009
Energy: 0.962410166662743
Energy: 1.109842384834123
Energy: 0.962410166662743
Energy: 1.0133264907333668
Energy: 0.9676475548338102
Energy: 1.017925864833153
Energy: 0.9676475548338102
Energy: 1.0179258648341774
Energy: 0.9676475548338102
Energy: 1.0179258648341774
Energy: 0.9626812046495575
Energy: 1.195587882808011
Energy: 0.9626812046505818
Energy: 1.195587882808011
Energy: 0.9626812046495575
Energy: 1.1955878828069868
Energy: 1.1365677637439373
Energy: 1.0235403430362355
Energy: 1.1365677637449618
Energy: 1.0235403430362355
Energy: 1.1365677637459861
Energy: 1.0235403430362355
Energy: 0.9590350009760169
Energy: 1.1524732832891238
Energy: 0.9590350009708951
Energy: 1.1524732832891238
Energy: 0.9590350009749926
Energy: 1.1524732832891238
Energy: 1.1364830727473394
Energy: 1.0234081507680368
Energy: 1.1364830727452904
Energy: 1.0234081507680368
Energy: 1.1364830727452904
Energy: 1.0234081507680368

minimum gb energy = 0.9590350009708951 eV
minimum distance =  2.34476201013968 Angstroms
sigma value = 9


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

Energy: 1.1059737371862326
Energy: 0.9963318146737635
Energy: 1.105973737187069
Energy: 0.9963318146737635
Energy: 1.105973737187069
Energy: 0.9963318146737635
Energy: 1.0032073429088815
Energy: 1.0362762934919743
Energy: 1.0032073429080453
Energy: 1.0362762935003378
Energy: 1.0032073429088815
Energy: 1.0362762935003378
Energy: 1.0570755371898162
Energy: 0.9922270715216907
Energy: 1.05707553718898
Energy: 0.9922270715233635
Energy: 1.05707553718898
Energy: 0.9922270715242
Energy: 0.9957358732549813
Energy: 1.0805411237294285
Energy: 0.9957358732549813
Energy: 1.080541123728592
Energy: 0.9957358732549813
Energy: 1.0805411237294285
Energy: 1.048681769014744
Energy: 0.983836759831766
Energy: 1.0486817690155803
Energy: 0.9838367598300932
Energy: 1.0486817690139079
Energy: 0.9838367598300932
Energy: 1.0674698256367259
Energy: 0.9992889620109353
Energy: 1.0674698256358894
Energy: 0.9992889620109353
Energy: 1.0674698256367259
Energy: 0.9992889620109353
Energy: 0.9926572781582983
Energy: 1.1160461889316384
Energy: 0.9926572781582983
Energy: 1.1160461889316384
Energy: 0.9926572781582983
Energy: 1.1160461889316384
Energy: 0.9895500590171081
Energy: 1.0727056907022838
Energy: 0.9895500590154354
Energy: 1.0727056907014474
Energy: 0.9895500590171081
Energy: 1.07270569070312
Energy: 1.099331934636726
Energy: 0.9900030750569218
Energy: 1.099331934636726
Energy: 0.9900030750569218
Energy: 1.0993319346375625
Energy: 0.9900030750569218
Energy: 0.9954553058417401
Energy: 1.0706173180905882
Energy: 0.9954553058417401
Energy: 1.0706173180914245
Energy: 0.9954553058417401
Energy: 1.0706173180914245
Energy: 1.02136963865834
Energy: 1.0317199427336785
Energy: 1.02136963865834
Energy: 1.0317199427336785
Energy: 1.0213696386591764
Energy: 1.0317199427353512
Energy: 1.0518020781511264
Energy: 0.9999826344114362
Energy: 1.0518020781511264
Energy: 0.9999826344114362
Energy: 1.05180207815029
Energy: 0.9999826344122725
Energy: 0.9906751714913075
Energy: 1.0656747670544813
Energy: 0.9906751714896348
Energy: 1.0656747670544813
Energy: 0.9906751714896348
Energy: 1.0656747670544813
Energy: 1.0727683788256401
Energy: 1.082550145060005
Energy: 1.0727683788256401
Energy: 1.0825501450608412
Energy: 1.0727683788256401
Energy: 1.082550145060005
Energy: 1.1566900988598796
Energy: 0.9977458646996276
Energy: 1.1566900987386441
Energy: 0.9977458646996276
Energy: 1.1566900982930488
Energy: 0.9977458646996276
Energy: 1.0650747486463468
Energy: 1.102899484350096
Energy: 1.0650747486463468
Energy: 1.102899484350096
Energy: 1.0650747486463468
Energy: 1.1028994843509323
Energy: 1.0866347208736675
Energy: 1.0711021938046876
Energy: 1.086634720872831
Energy: 1.0711021938038514
Energy: 1.0866347208736675
Energy: 1.0711021938038514
Energy: 1.254044624294145
Energy: 0.9999394024089138
Energy: 1.254044624294145
Energy: 0.9999394024089138
Energy: 1.254044624294145
Energy: 0.9999394024089138
Energy: 0.9944203639302913
Energy: 1.0738114691505092
Energy: 0.9944203639302913
Energy: 1.0738114691496727
Energy: 0.9944203639311275
Energy: 1.0738114691488363
Energy: 1.0325526962637581
Energy: 1.003294973879764
Energy: 1.0325526962645943
Energy: 1.0032949738806005
Energy: 1.0325526962645943
Energy: 1.0032949738822732
Energy: 1.0466379419924101
Energy: 1.0024677296594395
Energy: 1.0466379419915737
Energy: 1.0024677296594395
Energy: 1.0466379419924101
Energy: 1.002467729658603

minimum gb energy = 0.9838367598300932 eV
minimum distance =  2.33106437769975 Angstroms
sigma value = 27


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

Energy: 1.0610637641691814
Energy: 1.1163643125632112
Energy: 1.0610637641684766
Energy: 1.1163643125632112
Energy: 1.0610637641705916
Energy: 1.1163643125625062
Energy: 1.058981787034012
Energy: 1.054572132937635
Energy: 1.058981787034012
Energy: 1.054572132939045
Energy: 1.058981787034012
Energy: 1.0545721329383402
Energy: 1.1066932046249398
Energy: 1.0570813724442765
Energy: 1.1066932046249398
Energy: 1.0570813724442765
Energy: 1.1066932046249398
Energy: 1.0570813724435717
Energy: 1.0788679081379418
Energy: 1.0935980146039792
Energy: 1.0788679081372368
Energy: 1.0935980146032742
Energy: 1.0788679081372368
Energy: 1.0935980146053892
Energy: 1.0535732871640164
Energy: 1.0586379995814343
Energy: 1.0535732871640164
Energy: 1.0586379995793191
Energy: 1.0535732871647212
Energy: 1.0586379995814343
Energy: 1.1205353263228734
Energy: 1.0538801250324386
Energy: 1.1205353263235782
Energy: 1.0538801250317333
Energy: 1.1205353263228734
Energy: 1.0538801250331433
Energy: 1.059684852131872
Energy: 1.0433938927751376
Energy: 1.059684852131872
Energy: 1.0433938927751376
Energy: 1.059684852132577
Energy: 1.0433938927758428
Energy: 1.0999664316686348
Energy: 1.0961354378239516
Energy: 1.0999664316658146
Energy: 1.0961354378225416
Energy: 1.0999664316644047
Energy: 1.0961354378225416
Energy: 1.0432050888611315
Energy: 1.055330539962363
Energy: 1.0432050888604263
Energy: 1.0553305399595427
Energy: 1.0432050888561963
Energy: 1.0553305399609527
Energy: 1.0543250010999679
Energy: 1.0429659750719027
Energy: 1.0543250010985576
Energy: 1.0429659750711977
Energy: 1.054325001096443
Energy: 1.0429659750711977
Energy: 1.0542494130301323
Energy: 1.0428324611978075
Energy: 1.0542494130301323
Energy: 1.0428324611978075
Energy: 1.0542494130301323
Energy: 1.0428324611978075
Energy: 1.0431642205986755
Energy: 1.0558238300064338
Energy: 1.0431642205986755
Energy: 1.0558238300099587
Energy: 1.0431642205986755
Energy: 1.0558238300092535
Energy: 1.1004637193855067
Energy: 1.0962428059598264
Energy: 1.1004637193869165
Energy: 1.0962428059605311
Energy: 1.1004637193862115
Energy: 1.0962428059633513
Energy: 1.0596464405327901
Energy: 1.0430958497139808
Energy: 1.059646440532085
Energy: 1.0430958497132758
Energy: 1.059646440532085
Energy: 1.0430958497132758
Energy: 1.120324855432098
Energy: 1.0539158443485621
Energy: 1.1203248554313927
Energy: 1.0539158443478571
Energy: 1.120324855432098
Energy: 1.0539158443471524
Energy: 1.053567916236568
Energy: 1.0585116980259337
Energy: 1.0535679162358629
Energy: 1.0585116980252287
Energy: 1.053567916236568
Energy: 1.0585116980231135
Energy: 1.0787405310937088
Energy: 1.0935377291442197
Energy: 1.0787405310937088
Energy: 1.0935377291442197
Energy: 1.078740531093004
Energy: 1.0935377291421047
Energy: 1.1055800475003466
Energy: 1.0569383623865585
Energy: 1.1055800475017568
Energy: 1.0569383623858533
Energy: 1.1055800475003466
Energy: 1.0569383623865585
Energy: 1.0589123339195419
Energy: 1.0535974392396017
Energy: 1.0589123339195419
Energy: 1.0535974392381917
Energy: 1.0589123339202469
Energy: 1.0535974392388967
Energy: 1.0610637641705916
Energy: 1.1163643125625062
Energy: 1.0610637641691814
Energy: 1.1163643125632112
Energy: 1.0610637641684766
Energy: 1.1163643125625062
Energy: 1.058981787033307
Energy: 1.0545721329383402
Energy: 1.058981787034012
Energy: 1.0545721329369302
Energy: 1.058981787034012
Energy: 1.0545721329383402
Energy: 1.1066932046242348
Energy: 1.0570813724428667
Energy: 1.10669320462353
Energy: 1.0570813724435717
Energy: 1.1066932046249398
Energy: 1.0570813724435717
Energy: 1.0788679081372368
Energy: 1.0935980146053892
Energy: 1.0788679081372368
Energy: 1.0935980146046844
Energy: 1.0788679081379418
Energy: 1.0935980146039792
Energy: 1.0535732871647212
Energy: 1.0586379995800244
Energy: 1.0535732871647212
Energy: 1.0586379995800244
Energy: 1.0535732871640164
Energy: 1.0586379995814343
Energy: 1.1205353263228734
Energy: 1.0538801250317333
Energy: 1.1205353263228734
Energy: 1.0538801250324386
Energy: 1.1205353263235782
Energy: 1.0538801250324386

minimum gb energy = 1.0428324611978075 eV
minimum distance =  2.34490237933055 Angstroms
sigma value = 19


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

Energy: 1.0534039309769476
Energy: 1.0231243890210875
Energy: 1.053403930975122
Energy: 1.0231243890210875
Energy: 1.053403930976339
Energy: 1.0231243890216957
Energy: 1.0103836975384923
Energy: 1.0223963903025846
Energy: 1.0103836975366667
Energy: 1.0223963903031932
Energy: 1.0103836975372753
Energy: 1.0223963903025846
Energy: 1.079412478897275
Energy: 1.0164476291746034
Energy: 1.0794124788954493
Energy: 1.016447629175212
Energy: 1.0542491918243206
Energy: 1.016447629175212
Energy: 1.0123210946101016
Energy: 0.9869840189792418
Energy: 1.0123210946094932
Energy: 0.9869840189798502
Energy: 1.0123210946094932
Energy: 0.9869840189798502
Energy: 1.0201297064599957
Energy: 1.0130781179365533
Energy: 1.020129706460604
Energy: 1.013078117941422
Energy: 1.0201297064612127
Energy: 1.0130781179395965
Energy: 0.9975745879780408
Energy: 1.0128993420608974
Energy: 0.9975745879780408
Energy: 1.0128993420615058
Energy: 0.9975745879780408
Energy: 1.0128993420608974
Energy: 1.0183227312921719
Energy: 1.0227714422734948
Energy: 1.0183227312921719
Energy: 1.0227714422728862
Energy: 1.0183227312921719
Energy: 1.0227714422741032
Energy: 1.0270056033974382
Energy: 1.0357618560377655
Energy: 1.0270056033974382
Energy: 1.0357618560371569
Energy: 1.0270056033974382
Energy: 1.0357618560377655
Energy: 1.078667585921222
Energy: 1.01766095373403
Energy: 1.078667585921222
Energy: 1.017660953735247
Energy: 1.078667585914528
Energy: 1.0176609537346386
Energy: 1.0159593643741887
Energy: 1.0107764322416355
Energy: 1.0159593643741887
Energy: 1.0107764322422441
Energy: 1.0159593643741887
Energy: 1.0107764322422441
Energy: 1.0123082187660741
Energy: 1.0754555953179632
Energy: 1.0123082187654657
Energy: 1.0754555953173548
Energy: 1.0123082187660741
Energy: 1.0754555953185716
Energy: 1.018694134016613
Energy: 1.02163074697083
Energy: 1.0186941340153959
Energy: 1.021630746972047
Energy: 1.018694134016613
Energy: 1.02163074697083
Energy: 0.9834578419902436
Energy: 1.029566068583582
Energy: 0.9834578419902436
Energy: 1.029566068584799
Energy: 0.9834578419902436
Energy: 1.029566068584799
Energy: 1.0088421506946115
Energy: 0.9682889330576148
Energy: 1.0088421506946115
Energy: 0.9682889330563975
Energy: 1.0088421506933942
Energy: 0.9682889330563975
Energy: 1.0372961603938409
Energy: 1.0057967854904624
Energy: 1.0372961603932322
Energy: 1.0057967854898537
Energy: 1.0372961603938409
Energy: 1.0057967854892453
Energy: 1.064368689652875
Energy: 1.0167755890161663
Energy: 1.064368689652875
Energy: 1.0167755890155576
Energy: 1.0643686896522664
Energy: 1.0167755890155576
Energy: 1.0307396336188852
Energy: 1.0450990970639735
Energy: 1.0307396336182768
Energy: 1.045099097063365
Energy: 1.0307396336188852
Energy: 1.0450990970639735
Energy: 1.041652092521683
Energy: 1.0235405392045258
Energy: 1.041652092521683
Energy: 1.0235405392027002
Energy: 1.0416520925229
Energy: 1.0235405391984405
Energy: 0.9857874550266897
Energy: 1.0134548787104052
Energy: 0.9857874550260811
Energy: 1.0134548787097968
Energy: 1.068232381564182
Energy: 1.0134548787097968
Energy: 1.0147092405965277
Energy: 1.0090156093804823
Energy: 1.0147092405971363
Energy: 1.0090156093792653
Energy: 1.0147092405965277
Energy: 1.0090156093804823
Energy: 1.0221103149204191
Energy: 1.0351527606247344
Energy: 1.0221103149204191
Energy: 1.035152760625343
Energy: 1.0221103149204191
Energy: 1.0351527606259516
Energy: 1.0668743730757295
Energy: 1.0103372945918447
Energy: 1.0668700508826978
Energy: 1.0103372945924534
Energy: 1.0666432780001296
Energy: 1.0103372945924534
Energy: 1.0214857699415516
Energy: 0.9997603249234195
Energy: 1.0214857699421602
Energy: 0.9997603249222026
Energy: 1.0214857699415516
Energy: 0.9997603249222026
Energy: 1.0221825289612123
Energy: 1.0127201351563813
Energy: 1.0221825289612123
Energy: 1.0127201351563813
Energy: 1.0221825289612123
Energy: 1.012720135155164
Energy: 1.005094883498717
Energy: 1.0109676036929505
Energy: 1.0050948834981084
Energy: 1.0109676036941675
Energy: 1.005094883498717
Energy: 1.0109676036929505
Energy: 1.0054855245951757
Energy: 1.0220521495622088
Energy: 1.0054855245957843
Energy: 1.0220521495616002
Energy: 1.0054855245951757
Energy: 1.0220521495616002
Energy: 1.020477371433047
Energy: 1.0051564588090647
Energy: 1.0204773714342643
Energy: 1.0051564588066306
Energy: 1.0204773714342643
Energy: 1.0051564588084565
Energy: 0.9782071626488938
Energy: 1.0120113051203545
Energy: 0.9782071626488938
Energy: 1.0120113051209632
Energy: 0.9782071626501109
Energy: 1.0120113051185289
Energy: 1.033679893930304
Energy: 1.0138223484298743
Energy: 1.0336798939309124
Energy: 1.0138223484298743
Energy: 1.0336798939309124
Energy: 1.013822348430483

minimum gb energy = 0.9682889330563975 eV
minimum distance =  2.30981343271191 Angstroms
sigma value = 101


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

Energy: 1.0191063974352514
Energy: 0.939533898877577
Energy: 1.019106397436856
Energy: 0.939533898875972
Energy: 1.019106397436856
Energy: 0.9395338988765071
Energy: 0.9920253613835154
Energy: 0.9943390145858306
Energy: 0.9920253613824455
Energy: 1.000116952565346
Energy: 0.9920253613808406
Energy: 0.9943390145858306
Energy: 0.966725077116269
Energy: 1.0006326261528293
Energy: 0.966725077116269
Energy: 1.0006326261533642
Energy: 0.966725077116269
Energy: 1.0006326261528293
Energy: 0.9902643251585401
Energy: 1.0673675959142557
Energy: 0.9902643251585401
Energy: 1.149537419684214
Energy: 0.9902643251585401
Energy: 0.9934518425923871
Energy: 0.9940170941091584
Energy: 0.9691953992923987
Energy: 0.9940170941102284
Energy: 0.9691953992929336
Energy: 0.9940170941096934
Energy: 0.9691953992918638
Energy: 0.926989767238995
Energy: 0.9979924893037939
Energy: 0.9269897672395297
Energy: 0.9979924893043289
Energy: 0.926989767238995
Energy: 0.9979924893053989
Energy: 0.9948916678886088
Energy: 1.0005660933483587
Energy: 0.9948916678870041
Energy: 1.0005660933494285
Energy: 0.994891667887539
Energy: 1.0005660933494285
Energy: 0.9958282473076833
Energy: 1.0833745105028343
Energy: 0.9958282473076833
Energy: 1.0049835752416802
Energy: 0.9958282473076833
Energy: 1.0049835752422152
Energy: 0.9284112734482127
Energy: 0.9958728462412353
Energy: 0.9284112734487476
Energy: 0.9958728462417702
Energy: 0.9284112734471429
Energy: 0.9958728462417702
Energy: 0.9934103051152818
Energy: 1.0089662032303934
Energy: 0.9934103051152818
Energy: 1.0089662032298585
Energy: 0.9934103051147471
Energy: 1.0089662032303934
Energy: 0.9945157959447463
Energy: 1.1698357782382558
Energy: 0.9945157959452812
Energy: 1.169835778237186
Energy: 0.9945157959452812
Energy: 1.169835778237721
Energy: 0.9866673411322295
Energy: 1.0005490028159334
Energy: 0.9866673411332993
Energy: 1.0000719811191803
Energy: 0.9866673411322295
Energy: 0.9962869089711939
Energy: 0.9176707103712236
Energy: 0.9985186033977494
Energy: 0.9176707103717585
Energy: 0.9985186033972147
Energy: 0.9176707103712236
Energy: 0.9985186033982845
Energy: 0.9925072729904248
Energy: 1.0247995919429238
Energy: 0.9925072729898897
Energy: 1.081566336224402
Energy: 0.9925072729920296
Energy: 1.0106009681682435
Energy: 0.9904148977468111
Energy: 0.9658539962957383
Energy: 0.9904148977473461
Energy: 0.9658539962946685
Energy: 0.990414897748416
Energy: 0.9658539962957383
Energy: 0.9863460782294596
Energy: 0.9986737848754682
Energy: 0.9863460782289248
Energy: 0.9986737848743984
Energy: 0.9863460782294596
Energy: 0.9986737848743984
Energy: 0.9906730812541423
Energy: 1.0091525442477214
Energy: 0.9906730812541423
Energy: 1.0091525442466516
Energy: 0.9906730812541423
Energy: 1.0091525442471865
Energy: 0.9955504337226435
Energy: 0.9152786514260162
Energy: 0.9955504337226435
Energy: 0.915278651428156
Energy: 0.9955504337237135
Energy: 0.915278651427621
Energy: 0.929816401516882
Energy: 0.9963961003219235
Energy: 0.9298164015163471
Energy: 0.9963961003219235
Energy: 0.9298164015163471
Energy: 0.9963961003219235
Energy: 1.0006103843525334
Energy: 0.9502554568873902
Energy: 1.0006103843530683
Energy: 0.9502554568863202
Energy: 1.0006103843525334
Energy: 0.9502554568873902
Energy: 1.0047777489901926
Energy: 1.1016241973303746
Energy: 1.0047777489901926
Energy: 1.1016241973309098
Energy: 1.0047777489901926
Energy: 1.1016241973314447
Energy: 0.9637317232780382
Energy: 0.9938424118715932
Energy: 0.9637317232758984
Energy: 0.9938424118721282
Energy: 0.9637317232764333
Energy: 0.993842411872663
Energy: 0.9921959818947433
Energy: 0.9977899226510352
Energy: 0.9921959818931384
Energy: 0.9977899226505003
Energy: 0.9921959818952782
Energy: 0.9977899226515701
Energy: 0.9905007920637774
Energy: 1.148551303818882
Energy: 0.9905007920637774
Energy: 1.148551303818347
Energy: 0.9905007920643123
Energy: 1.1485513038178121
Energy: 1.0033359466990317
Energy: 1.0058604200856736
Energy: 1.0033359466990317
Energy: 1.0058604200867431
Energy: 1.003335946698497
Energy: 1.0058604200851384
Energy: 0.9181377581057437
Energy: 1.010628645247652
Energy: 0.9181377581041389
Energy: 1.0106286452487216
Energy: 0.9181377581057437
Energy: 1.010628645247652
Energy: 0.9958676611347849
Energy: 1.0045208616014827
Energy: 0.99586766113425
Energy: 1.0045208615998782
Energy: 0.9958676611358547
Energy: 1.0045208616014827
Energy: 0.9962932565009553
Energy: 0.9681235353675556
Energy: 0.9962932565009553
Energy: 0.9681235353729049
Energy: 0.9962932565009553
Energy: 0.9681235353734399
Energy: 1.1313345284205336
Energy: 0.9958988544568048
Energy: 1.1313345284205336
Energy: 0.9958988544573397
Energy: 1.1313345284183938
Energy: 0.9958988544573397
Energy: 0.9949246988494284
Energy: 0.9671759927488051
Energy: 0.9949246988494284
Energy: 0.9671759927488051
Energy: 0.9949246988504982
Energy: 0.9671759927498749
Energy: 0.9910741514182005
Energy: 0.9493658410528654
Energy: 0.9910741514171307
Energy: 0.9493658410539353
Energy: 0.9910741514171307
Energy: 0.9493658410534004
Energy: 0.9885393129121547
Energy: 0.9943915894248516
Energy: 0.9885393129110847
Energy: 0.9943915894243166
Energy: 0.9885393129116196
Energy: 0.9943915894243166
Energy: 0.9910156944569496
Energy: 0.9960955212424059
Energy: 0.9910156944548099
Energy: 0.9960955212424059
Energy: 0.9910156944564147
Energy: 0.996095521241871

minimum gb energy = 0.9152786514260162 eV
minimum distance =  2.32626593375282 Angstroms
sigma value = 33


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

Energy: 0.018592459655775568
Energy: 0.7432705383697992
Energy: 0.018592459655775568
Energy: 0.7432705383697992
Energy: 0.018592459655775568
Energy: 0.7432705383697992
Energy: 0.0190357175383872
Energy: -0.5190599849074965
Energy: 0.0190357175383872
Energy: -0.5190599849070521
Energy: 0.0190357175383872
Energy: -0.5190599849074965
Energy: 0.7432546596586652
Energy: -0.5189315537213787
Energy: 0.743190437928444
Energy: -0.5189315537213787
Energy: 0.7431896397953899
Energy: -0.5189315537209838
Energy: 0.01903571753749827
Energy: -0.5190599849062124
Energy: 0.019035717537942733
Energy: -0.5190599849070521
Energy: 0.019035717537942733
Energy: -0.5190599849074965

minimum gb energy = -0.5190599849074965 eV
minimum distance =  2.46833605987935 Angstroms
sigma value = 1