Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5224674642086033
cohesive_energy=4.44900897936396
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.6166253594608797e-19, 4.2564385764824396e-19, 4.66270250556582e-19, 4.9848521613642e-19, 5.25419407530594e-19, 5.48566053361992e-19, 5.688544160783339e-19, 5.86991055575214e-19, 6.03656896922082e-19, 6.18943264187076e-19, 6.32898222669216e-19, 6.455938703170321e-19, 6.57113520315492e-19, 6.67532474966394e-19, 6.76826701620228e-19, 6.849657589209479e-19, 6.91960862104992e-19, 6.97839248175138e-19, 7.02640971547236e-19, 7.064221084034759e-19, 7.09257961045656e-19, 7.11217423069038e-19, 7.123645815389819e-19, 7.12753910461044e-19, 7.122556335278699e-19, 7.1047561528749605e-19, 7.06917180983382e-19, 7.0100194485065395e-19, 6.920393687600579e-19, 6.792155469815219e-19, 6.615643670047439e-19, 6.379002181205639e-19, 6.06779539181748e-19, 5.66515238192694e-19, 5.151414444234839e-19, 4.50293345162334e-19, 3.6909823770448196e-19, 2.68159507585848e-19, 1.434393492534252e-19, -1.002244797751968e-20, -1.98762828860772e-19, -4.35570944072508e-19, -7.412037609509819e-19, -1.14329722425606e-18, -1.6786004594418e-18, -2.3959269820162798e-18, -3.36324112479378e-18, -4.6808391450627e-18, -6.512543603649539e-18, -9.1541964160224e-18, -1.3153934252205357e-17, -1.9585808262333e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.018071198967685432
Energy: 0.133045324012155
Energy: 0.7275170727768264
Energy: 0.018862397247477257
Energy: 0.133045324012155
Energy: 0.9224454490333971
Energy: 0.018862397248101164
Energy: 0.9224454490301675
Energy: 0.7275170727813405
Energy: 0.018862397247477257
Energy: 0.018071198967685432
Energy: 0.13304532401153107
Energy: 0.018862397248101164
Energy: 0.9224454490308279
Energy: 0.133045324012155
Energy: 0.9224454490288829

minimum gb energy = 0.018071198967685432 eV
minimum distance =  2.47001535733649 Angstroms
sigma value = 1


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

Energy: 1.6248440333345757
Energy: 1.2471845735805664
Energy: 1.2507520393355809
Energy: 1.1430478375799271
Energy: 1.1451884504016283
Energy: 1.2458224595961789
Energy: 1.1449447454292103
Energy: 1.24582245959698
Energy: 1.2493993089548403
Energy: 1.246883294328598
Energy: 1.7587967560068432
Energy: 1.2468832943293988
Energy: 1.1512009231575613
Energy: 1.1438684322472994
Energy: 1.1452134863239212
Energy: 1.1438684322456971
Energy: 1.5176037125599418
Energy: 1.1443462518797551
Energy: 1.1459163342158127
Energy: 1.1443462518805565
Energy: 1.2030056375849885
Energy: 1.2483625232229736
Energy: 1.1443529092256894
Energy: 1.2483625232205704
Energy: 1.2042740411390551
Energy: 1.2029788634158747
Energy: 1.5185745185827635
Energy: 1.2029788634142722
Energy: 1.1936207754376444
Energy: 1.1921001466301773
Energy: 1.299610555896465
Energy: 1.1921001466317795
Energy: 1.3314085234844828
Energy: 1.3344970386926425
Energy: 1.241690488135742
Energy: 1.3344970386926425
Energy: 1.29639764329
Energy: 1.2978317753958155
Energy: 1.22441732840036
Energy: 1.2978317753966166
Energy: 1.2200175792791148
Energy: 1.3335083764020916
Energy: 1.3325021734265936
Energy: 1.3335083764020916
Energy: 1.192174441514172
Energy: 1.3060008906253258
Energy: 1.3056572807852422
Energy: 1.3060008906277294
Energy: 1.2056465995588943
Energy: 1.2026348943330765
Energy: 1.1494438354416987
Energy: 1.20263489433548
Energy: 1.203495139855833
Energy: 1.2109014823341324
Energy: 1.2243768067061926
Energy: 1.2109014823349338
Energy: 1.149417483259269
Energy: 1.1440544514127227
Energy: 1.14947238896155
Energy: 1.1440544514135238
Energy: 1.215587371737725
Energy: 1.1440289155090362
Energy: 1.14473844585233
Energy: 1.144028915509837
Energy: 1.2487013313261475
Energy: 1.2472700129058498
Energy: 1.1368342466525851
Energy: 1.2472700129066512
Energy: 1.1447698782608173
Energy: 1.150736049842621
Energy: 1.14930868478068
Energy: 1.1507360498386152
Energy: 1.1441300872492841
Energy: 1.2474473464499318
Energy: 1.2531194281846167
Energy: 1.2474473464507332
Energy: 1.2014310694543817
Energy: 1.1438068483798638
Energy: 1.1512503619952823
Energy: 1.143806848380665
Energy: 1.1455290784137144
Energy: 1.1441992436421449
Energy: 1.190208143256145
Energy: 1.1441992436437471
Energy: 1.144228508311422
Energy: 1.1435189449450096
Energy: 1.2033674719683187
Energy: 1.1435189449450096
Energy: 1.5172564719878594
Energy: 1.2072875464528197
Energy: 1.19670741557969
Energy: 1.2072875464520187
Energy: 1.299241602058541
Energy: 1.19802668475687
Energy: 1.19254438350545
Energy: 1.1980266847560688
Energy: 1.224545191265689
Energy: 1.3381660774038027
Energy: 1.3317581042687847
Energy: 1.3381660774038027
Energy: 1.2268689475357824
Energy: 1.3070419492873449
Energy: 1.2990614001606704
Energy: 1.3070419492873449
Energy: 1.332538401919824
Energy: 1.3331735902474386
Energy: 1.2196429367271364
Energy: 1.3331735902482398
Energy: 1.3013722186723427
Energy: 1.315074249820319
Energy: 1.191988087708515
Energy: 1.31507424982112
Energy: 1.1480859312298735
Energy: 1.2015444770170547
Energy: 1.2054072820928807
Energy: 1.2015444770162536
Energy: 1.2243705948031705
Energy: 1.2111722397546871
Energy: 1.2261654171501262
Energy: 1.2111722397562894
Energy: 1.1447623255908077
Energy: 1.1438026414173612
Energy: 1.1477091587421544
Energy: 1.143802641415759
Energy: 1.1446888815449512
Energy: 1.1438287994095246
Energy: 1.2156522156225225
Energy: 1.143828799411127
Energy: 1.1364482641089595
Energy: 1.1507598883833727
Energy: 1.2502885658554752
Energy: 1.1507598883817705

minimum gb energy = 1.1364482641089595 eV
minimum distance =  2.29928690128293 Angstroms
sigma value = 1


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

Energy: 1.847357806135113
Energy: 1.3044274379944103
Energy: 1.3031727943856974
Energy: 1.1852750681295314
Energy: 1.1929411828466874
Energy: 1.2961191131771248
Energy: 1.1939545855467362
Energy: 1.2961191131725571
Energy: 1.3047738136872247
Energy: 1.3040400392458844
Energy: 1.7035357379142084
Energy: 1.304040039242272
Energy: 1.1966021862686183
Energy: 1.1920092745368605
Energy: 1.1949959957264626
Energy: 1.1920092745368605
Energy: 1.7036872716033504
Energy: 1.194535908438604
Energy: 1.1926324480841148
Energy: 1.1945359084367773
Energy: 1.2941203927020137
Energy: 1.286866295309714
Energy: 1.1939335760685592
Energy: 1.286866295311541
Energy: 1.2686515606181301
Energy: 1.2758678564298378
Energy: 1.4511546352139515
Energy: 1.275867856430751
Energy: 1.249389124385662
Energy: 1.2504242183669723
Energy: 1.3690995895879474
Energy: 1.2504242183715397
Energy: 1.452729066210832
Energy: 1.4056479902751082
Energy: 1.3342047186844883
Energy: 1.4056479902714547
Energy: 1.3714529050949058
Energy: 1.3802093205585582
Energy: 1.2494257345936723
Energy: 1.3802093205585582
Energy: 1.2045138889724534
Energy: 1.2766073661987174
Energy: 1.279260220050453
Energy: 1.2766073661950632
Energy: 1.288303011467406
Energy: 1.2853314057355376
Energy: 1.2961205185633389
Energy: 1.2853314057318839
Energy: 1.1995880585685883
Energy: 1.1947089165378264
Energy: 1.2024371375470748
Energy: 1.1947089165332592
Energy: 1.196462406429898
Energy: 1.1914585813077967
Energy: 1.2730626780673653
Energy: 1.1914585813068836
Energy: 1.1776346050962625
Energy: 1.3042234237733041
Energy: 1.3031709077898008
Energy: 1.3042234237733041
Energy: 1.2074783224165784
Energy: 1.2030827220593996
Energy: 1.1937953502605176
Energy: 1.2030827220612266
Energy: 1.304991163392724
Energy: 1.304668350098785
Energy: 1.1920717276408037
Energy: 1.3046683500996987
Energy: 1.1968154637265755
Energy: 1.1917544453175386
Energy: 1.2900738690480857
Energy: 1.1917544453138849
Energy: 1.1927564839213716
Energy: 1.1950684674892422
Energy: 1.193613209020861
Energy: 1.1950684674901553
Energy: 1.2943317805436791
Energy: 1.1924055109520448
Energy: 1.1937852448277069
Energy: 1.1924055109511316
Energy: 1.2506551469830887
Energy: 1.2829042204261
Energy: 1.4515182380889482
Energy: 1.2829042204261
Energy: 1.2466803871428815
Energy: 1.2829095749419495
Energy: 1.3695747090392287
Energy: 1.282909574938337
Energy: 1.4528109148671264
Energy: 1.4080094761296924
Energy: 1.2702636088050734
Energy: 1.408009476121471
Energy: 1.3702617362622291
Energy: 1.3974850453925411
Energy: 1.24699781797197
Energy: 1.397485045394368
Energy: 1.2038201250063516
Energy: 1.2772728046020232
Energy: 1.2791119995728004
Energy: 1.277272804599283
Energy: 1.2880029618711806
Energy: 1.2840399689741047
Energy: 1.2965423881351241
Energy: 1.2840399689677104
Energy: 1.1919823725842094
Energy: 1.1940151728747168
Energy: 1.2026215015873682
Energy: 1.1940151728692359
Energy: 1.1963235743111198
Energy: 1.192438816096445
Energy: 1.2732283605916186
Energy: 1.192438816090964
Energy: 1.1769754266920909
Energy: 1.2015617443472915
Energy: 1.3025782226722165
Energy: 1.201561744340897

minimum gb energy = 1.1769754266920909 eV
minimum distance =  2.29286650472751 Angstroms
sigma value = 25


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

Energy: 1.7760500173921994
Energy: 1.3624197720255502
Energy: 1.362216536656756
Energy: 1.2281483580443824
Energy: 1.2459974835055856
Energy: 1.346477060679082
Energy: 1.2455527019779569
Energy: 1.346477060679082
Energy: 1.3625850464369924
Energy: 1.3622577588104139
Energy: 1.6240798725197823
Energy: 1.362257758809352
Energy: 1.2511362916373088
Energy: 1.2462475776365456
Energy: 1.2460321455214787
Energy: 1.2462475776365456
Energy: 1.6251349683638425
Energy: 1.2485002323654706
Energy: 1.2465208506857564
Energy: 1.2485002323665324
Energy: 1.3740027795677132
Energy: 1.2457519743630716
Energy: 1.2456163098203397
Energy: 1.2457519743641332
Energy: 1.3026524665022017
Energy: 1.4044526419024679
Energy: 1.3752737703717952
Energy: 1.4044526419014058
Energy: 1.3008512047518732
Energy: 1.3826001995899198
Energy: 1.448415146928647
Energy: 1.382600199590982
Energy: 1.3760555015619749
Energy: 1.4032683089025308
Energy: 1.4655382470457892
Energy: 1.4032683089025308
Energy: 1.3733791683330416
Energy: 1.3791728903505738
Energy: 1.2457627410268441
Energy: 1.3791728903516354
Energy: 1.2170864857378307
Energy: 1.2488106725714525
Energy: 1.245162050492926
Energy: 1.2488106725703905
Energy: 1.3326400588922633
Energy: 1.2487911583348401
Energy: 1.2464063595002626
Energy: 1.2487911583337785
Energy: 1.361120784737271
Energy: 1.362149698852388
Energy: 1.214839301742648
Energy: 1.3621496988513262
Energy: 1.2458012098461706
Energy: 1.2591289203083718
Energy: 1.27008780396496
Energy: 1.2591289203083718
Energy: 1.2409831799271644
Energy: 1.3630311136953108
Energy: 1.3639084194673268
Energy: 1.3630311136942488
Energy: 1.47991340711361
Energy: 1.3457556999134368
Energy: 1.2510113510341914
Energy: 1.3457556999134368
Energy: 1.2476570641966669
Energy: 1.2492219745888542
Energy: 1.244815014964378
Energy: 1.249221974589916
Energy: 1.2451378619007436
Energy: 1.2459058324061039
Energy: 1.373295476012531
Energy: 1.2459058324018562
Energy: 1.375156638147847
Energy: 1.40975538361567
Energy: 1.3104704529886557
Energy: 1.4097553836167318
Energy: 1.4503295892510057
Energy: 1.40293460191621
Energy: 1.3020204656845258
Energy: 1.4029346019183337
Energy: 1.270518711978583
Energy: 1.4031098097039523
Energy: 1.3753986453745655
Energy: 1.4031098097039523
Energy: 1.365684954524988
Energy: 1.3984222431458966
Energy: 1.373636087345974
Energy: 1.3984222431469584
Energy: 1.2466617243031493
Energy: 1.2489842605503456
Energy: 1.2156133805439224
Energy: 1.248984260549284
Energy: 1.246829243262428
Energy: 1.258477989142231
Energy: 1.3326686662527214
Energy: 1.2584779891443547
Energy: 1.2145396867366147
Energy: 1.2580717213244865
Energy: 1.3618241319310065
Energy: 1.2580717213244865

minimum gb energy = 1.2145396867366147 eV
minimum distance =  2.28882421583929 Angstroms
sigma value = 9


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

Energy: 1.6614128580065517
Energy: 1.4231769351692316
Energy: 1.4236212449177081
Energy: 1.2672548085230722
Energy: 1.3124801871472778
Energy: 1.3927332839130258
Energy: 1.3196123886835096
Energy: 1.3927332839142927
Energy: 1.4194894031255387
Energy: 1.4227507024917587
Energy: 1.2944189822543952
Energy: 1.4227507024917587
Energy: 1.3013948686283785
Energy: 1.3934325960412863
Energy: 1.3113995671199916
Energy: 1.3934325960412863
Energy: 1.5120486283977517
Energy: 1.3112240868318532
Energy: 1.3112368265280117
Energy: 1.3112240868331202
Energy: 1.4545475567724826
Energy: 1.3105135681747668
Energy: 1.3112191417306343
Energy: 1.3105135681760336
Energy: 1.36186638450672
Energy: 1.4532039971474462
Energy: 1.5159593620312155
Energy: 1.4532039971461794
Energy: 1.3094409762693247
Energy: 1.4573279160423722
Energy: 1.452673467833771
Energy: 1.4573279160436388
Energy: 1.3083132750990007
Energy: 1.3106334750564597
Energy: 1.2481140922853815
Energy: 1.3106334750526594
Energy: 1.3107758523518822
Energy: 1.3098723243373467
Energy: 1.247193972774746
Energy: 1.3098723243386134
Energy: 1.243839230633391
Energy: 1.4222003368428366
Energy: 1.4212866567134248
Energy: 1.4222003368441034
Energy: 1.3512485948841428
Energy: 1.3254452413909759
Energy: 1.3204160613768803
Energy: 1.3254452413909759
Energy: 1.41932799467982
Energy: 1.423621105860373
Energy: 1.2985676776564596
Energy: 1.4236211058616397
Energy: 1.4226912697312641
Energy: 1.3923419332806184
Energy: 1.5708353966284316
Energy: 1.3923419332806184
Energy: 1.5114830853534278
Energy: 1.3111035357011758
Energy: 1.3150224586791408
Energy: 1.3111035357011758
Energy: 1.4534396312904363
Energy: 1.3102339450285792
Energy: 1.311838349573235
Energy: 1.3102339450273124
Energy: 1.3564979780370423
Energy: 1.455976881337872
Energy: 1.5154813871107502
Energy: 1.4559768813416722
Energy: 1.3556748808839734
Energy: 1.4573489651963234
Energy: 1.4508486971960257
Energy: 1.4573489651963234
Energy: 1.3098374848047811
Energy: 1.3100510162447205
Energy: 1.2474848517148838
Energy: 1.310051016242187
Energy: 1.3090126382853366
Energy: 1.325044807494734
Energy: 1.2472766575611174
Energy: 1.325044807494734
Energy: 1.2434102595783734
Energy: 1.326310562725676
Energy: 1.4224084053419377
Energy: 1.3263105627269427

minimum gb energy = 1.2434102595783734 eV
minimum distance =  2.28556255507077 Angstroms
sigma value = 25


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

Energy: 1.4843325999123664
Energy: 1.4823536951395395
Energy: 1.473785931566455
Energy: 1.2953536063604163
Energy: 1.474154084384917
Energy: 1.378650104536551
Energy: 1.308567485511445
Energy: 1.3786501045349842
Energy: 1.4731767614602127
Energy: 1.4788765161030362
Energy: 1.7806121275954387
Energy: 1.4788765161014694
Energy: 1.4776277285195956
Energy: 1.3784952099679262
Energy: 1.3068554256110727
Energy: 1.3784952099679262
Energy: 1.3772763664114884
Energy: 1.4616116846635205
Energy: 1.3062964258897913
Energy: 1.4616116846650873
Energy: 1.277442104578003
Energy: 1.3887846742017234
Energy: 1.3034106179727232
Energy: 1.3887846742032897
Energy: 1.4944818585457753
Energy: 1.3908158070850267
Energy: 1.3827775491028116
Energy: 1.3908158070850267
Energy: 1.271246196659087
Energy: 1.3806912230264028
Energy: 1.3064763645633348
Energy: 1.3806912230232697
Energy: 1.472954490900479
Energy: 1.4799488814903972
Energy: 1.2716300036254655
Energy: 1.4799488814903972
Energy: 1.473922527796635
Energy: 1.455998842410136
Energy: 1.2703021173819808
Energy: 1.4559988424085695
Energy: 1.2681740471818166
Energy: 1.4753452107448601
Energy: 1.4775155265992255
Energy: 1.4753452107448601
Energy: 1.4698025865591657
Energy: 1.3818365668623251
Energy: 1.4798470229728335
Energy: 1.3818365668623251
Energy: 1.305364400798949
Energy: 1.4574071763533034
Energy: 1.375958558762146
Energy: 1.4574071763533034
Energy: 1.3074467744086817
Energy: 1.3877471619538932
Energy: 1.2771243935267604
Energy: 1.3877471619523263
Energy: 1.388902698395279
Energy: 1.4538063825321872
Energy: 1.2704046940522624
Energy: 1.4538063825321872
Energy: 1.3043363993357886
Energy: 1.4648965078310898
Energy: 1.2700538684349247
Energy: 1.4648965078310898
Energy: 1.2711562169020614
Energy: 1.2783423075853424
Energy: 1.4776379959983708
Energy: 1.2783423075853424

minimum gb energy = 1.2681740471818166 eV
minimum distance =  2.3628779712606 Angstroms
sigma value = 17


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

Energy: 2.0166704433104923
Energy: 1.6220546922894323
Energy: 1.618724752648948
Energy: 1.5012853792748517
Energy: 1.4769780843613463
Energy: 1.4020635790854825
Energy: 1.591603898833403
Energy: 1.4020635790854825
Energy: 1.3984943037188724
Energy: 1.4005726476789697
Energy: 1.84520308687575
Energy: 1.4005726476780824
Energy: 1.4024946517310637
Energy: 1.4859907244578854
Energy: 1.3899949581023683
Energy: 1.485990724458773
Energy: 1.5487746158531626
Energy: 1.4926949298496748
Energy: 1.4278742143544225
Energy: 1.4926949298496748
Energy: 1.3931078520390954
Energy: 1.5201478708808513
Energy: 1.3924429278750374
Energy: 1.5201478708799643
Energy: 1.4749213794597278
Energy: 1.4005989798881444
Energy: 1.3974170885654769
Energy: 1.400598979889919
Energy: 1.612459167224173
Energy: 1.3925324077993624
Energy: 1.4002263186772406
Energy: 1.3925324077993624
Energy: 1.623529716425409
Energy: 1.6230358461454564
Energy: 1.4832680870084733
Energy: 1.6230358461445693
Energy: 1.623354595537846
Energy: 1.476072902596659
Energy: 1.5073463390759718
Energy: 1.4760729025957717
Energy: 1.54799125456799
Energy: 1.3635257134755001
Energy: 1.3238879648036062
Energy: 1.3635257134763872
Energy: 1.4834340063224507
Energy: 1.3638916588786414
Energy: 1.3615476903395096
Energy: 1.3638916588777539
Energy: 1.478640442379483
Energy: 1.3618064381167896
Energy: 1.3651315454958532
Energy: 1.3618064381167896
Energy: 1.4779869140153934
Energy: 1.3920954150734564
Energy: 1.3240710913100058
Energy: 1.392095415075231
Energy: 1.6231184681339443
Energy: 1.5321088940885874
Energy: 1.4748670077410881
Energy: 1.532108894090362
Energy: 1.624392415421239
Energy: 1.5855873850247868
Energy: 1.475215237845184
Energy: 1.5855873850247868
Energy: 1.4783109113955095
Energy: 1.3901389395204946
Energy: 1.4014546279858762
Energy: 1.39013893951872
Energy: 1.480277649953891
Energy: 1.3905429827246543
Energy: 1.3970844460931486
Energy: 1.3905429827264286
Energy: 1.3916015037005127
Energy: 1.520960280379883
Energy: 1.3931907084562039
Energy: 1.520960280379883
Energy: 1.418179309826063
Energy: 1.494621572009926
Energy: 1.3908267217564023
Energy: 1.494621572009926
Energy: 1.4053564691496958
Energy: 1.3934592409952842
Energy: 1.612195969774528
Energy: 1.3934592409961717
Energy: 1.3991651275932606
Energy: 1.4015330480980948
Energy: 1.6740722481690467
Energy: 1.4015330480972077
Energy: 1.5188780704359592
Energy: 1.4751679112986218
Energy: 1.6213593994912665
Energy: 1.4751679113003962
Energy: 1.4804968334690898
Energy: 1.620688283781663
Energy: 1.6170245321082701
Energy: 1.6206882837825505
Energy: 1.3263645270720648
Energy: 1.3922404522588983
Energy: 1.6031594662151523
Energy: 1.3922404522580107
Energy: 1.3625103085669503
Energy: 1.368083896778326
Energy: 1.4783479394178414
Energy: 1.368083896778326
Energy: 1.323181025833107
Energy: 1.3297239182336604
Energy: 1.4801852190588352
Energy: 1.3297239182336604
Energy: 1.3653489572551873
Energy: 1.3630652664238376
Energy: 1.6746390664897128
Energy: 1.363065266424725
Energy: 1.333403315229253
Energy: 1.3963658890429893
Energy: 1.4914090498096049
Energy: 1.396365889042102
Energy: 1.475978016003293
Energy: 1.6215093672834155
Energy: 1.6168316574962043
Energy: 1.6215093672816414

minimum gb energy = 1.323181025833107 eV
minimum distance =  2.30193863031504 Angstroms
sigma value = 53


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

Energy: 1.813925000929961
Energy: 1.4868345109140244
Energy: 1.4868147737008066
Energy: 1.2403452141049498
Energy: 1.483245789210435
Energy: 1.3119084043854397
Energy: 1.4802625327161467
Energy: 1.3119084043874825
Energy: 1.4855014398079178
Energy: 1.4838923537587034
Energy: 1.507545347309788
Energy: 1.4838923537587034
Energy: 1.4835564344182117
Energy: 1.3123815054457302
Energy: 1.4751568098052992
Energy: 1.312381505447773
Energy: 1.5057137508607463
Energy: 1.31047676658629
Energy: 1.2134245919091071
Energy: 1.3104767665883326
Energy: 1.474602427117515
Energy: 1.3141405958023171
Energy: 1.2149261159488105
Energy: 1.3141405958043595
Energy: 1.7331666417620517
Energy: 1.478839419991999
Energy: 1.4776152812597567
Energy: 1.478839419991999
Energy: 1.732200060704236
Energy: 1.3145851170689045
Energy: 1.4758628058022707
Energy: 1.3145851170709468
Energy: 1.483134072058725
Energy: 1.4822292757534241
Energy: 1.4971325416970727
Energy: 1.4822292757575093
Energy: 1.4807565360080863
Energy: 1.3140411332513977
Energy: 1.478902780242406
Energy: 1.3140411332513977
Energy: 1.5062934137246051
Energy: 1.314401829906597
Energy: 1.2407248268613444
Energy: 1.314401829906597
Energy: 1.4800603224313045
Energy: 1.3098995407187592
Energy: 1.2122651387909187
Energy: 1.309899540714674
Energy: 1.7366824949434538
Energy: 1.3149408116753731
Energy: 1.475188503719996
Energy: 1.3149408116794583

minimum gb energy = 1.2122651387909187 eV
minimum distance =  2.34719092276636 Angstroms
sigma value = 9


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

Energy: 1.7788153475378834
Energy: 1.706675553678461
Energy: 1.705287584750342
Energy: 1.5943807735395452
Energy: 1.399906534140789
Energy: 1.3588255762540538
Energy: 1.712150687741045
Energy: 1.3588255762548096
Energy: 1.3593461645720903
Energy: 1.3587999614526038
Energy: 1.6582796159375885
Energy: 1.358799961454872
Energy: 1.3549085967834147
Energy: 1.3606143137224718
Energy: 1.7907898944466711
Energy: 1.360614313719448
Energy: 1.3588646453174007
Energy: 1.3554720511347043
Energy: 1.7733958711935913
Energy: 1.3554720511339484
Energy: 1.4051491929495241
Energy: 1.3573727497487416
Energy: 1.7716903628283025
Energy: 1.3573727497479855
Energy: 1.6626267360292677
Energy: 1.6901167616062946
Energy: 1.7085271687514456
Energy: 1.6901167616047827
Energy: 1.7061874707167846
Energy: 1.3597123897962713
Energy: 1.691393115170055
Energy: 1.3597123897970276
Energy: 1.469834518475202
Energy: 1.5035243833666203
Energy: 1.4316187698917269
Energy: 1.5035243833681327
Energy: 1.3263900850402377
Energy: 1.443014164154614
Energy: 1.6656801087473918
Energy: 1.44301416415537
Energy: 1.4799413899540317
Energy: 1.4512878780712406
Energy: 1.5661716710091513
Energy: 1.4512878780704845
Energy: 1.4811729188895866
Energy: 1.5030512079633112
Energy: 1.7766145341162447
Energy: 1.5030512079648228
Energy: 1.6663381312034902
Energy: 1.4508050974379292
Energy: 1.4841852053356985
Energy: 1.4508050974386852
Energy: 1.6674802865551441
Energy: 1.4779037519459033
Energy: 1.4845667680103112
Energy: 1.477903751943635
Energy: 1.676997298824217
Energy: 1.429292894844044
Energy: 1.4410854471554462
Energy: 1.4292928948448
Energy: 1.5383027650806356
Energy: 1.443048871817522
Energy: 1.4393794580081036
Energy: 1.4430488718205459
Energy: 1.6637094356084896
Energy: 1.359706012014844
Energy: 1.4868719915632727
Energy: 1.3597060120163558
Energy: 1.6995257429446167
Energy: 1.6949700988272318
Energy: 1.7780902600750796
Energy: 1.694970098823452
Energy: 1.7154334194050813
Energy: 1.3593401329195431
Energy: 1.4803505905079588
Energy: 1.3593401329210553
Energy: 1.658407183463638
Energy: 1.3597053746375571
Energy: 1.3587072964928717
Energy: 1.3597053746368013
Energy: 1.6683997250789573
Energy: 1.3592890294905113
Energy: 1.3547394141534435
Energy: 1.3592890294889992
Energy: 1.771810842299397
Energy: 1.3556183538271567
Energy: 1.3571048507619026
Energy: 1.3556183538264004
Energy: 1.7721081137951447
Energy: 1.3573821741147745
Energy: 1.3587008012223059
Energy: 1.3573821741125065
Energy: 1.7111065815704094
Energy: 1.6888694469300825
Energy: 1.6634154004402684
Energy: 1.6888694469293266
Energy: 1.6896275563905347
Energy: 1.358656637129155
Energy: 1.663608465272354
Energy: 1.358656637129155
Energy: 1.4338873972725559
Energy: 1.507241577698556
Energy: 1.468193109616707
Energy: 1.5072415776970436
Energy: 1.6642163744401286
Energy: 1.4452055266045662
Energy: 1.3255859715808596
Energy: 1.4452055266030541
Energy: 1.5659991008079015
Energy: 1.4489407376472463
Energy: 1.474497729062316
Energy: 1.4489407376449785
Energy: 1.7798425138773983
Energy: 1.4830641495465233
Energy: 1.481081272283942
Energy: 1.4830641495465233
Energy: 1.4804449381162565
Energy: 1.4470685336378282
Energy: 1.6660006807535752
Energy: 1.4470685336348041
Energy: 1.4817209067465464
Energy: 1.4790057881204417
Energy: 1.654578266258573
Energy: 1.479005788118174
Energy: 1.4654118658897872
Energy: 1.4513005435013817
Energy: 1.6806539173102695
Energy: 1.451300543499114
Energy: 1.43852765208461
Energy: 1.4432050269727899
Energy: 1.5386040347752439
Energy: 1.4432050269749888
Energy: 1.484457443953215
Energy: 1.3593454477546727
Energy: 1.5516361960110148
Energy: 1.3593454477516487
Energy: 1.7766072198974996
Energy: 1.6937808146962403
Energy: 1.6950552229351614
Energy: 1.6937808146969964

minimum gb energy = 1.3255859715808596 eV
minimum distance =  2.31583519515949 Angstroms
sigma value = 73


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

Energy: 1.8670680516868179
Energy: 1.6055624320540616
Energy: 1.5874141901184764
Energy: 1.459445300943486
Energy: 1.3869486215507758
Energy: 1.3972814224411503
Energy: 1.557353261596378
Energy: 1.3972814224387513
Energy: 1.4023288735925374
Energy: 1.4016270568396954
Energy: 1.6016509632528981
Energy: 1.4016270568396954
Energy: 1.3874520498881446
Energy: 1.3932843677169653
Energy: 1.7714808935079105
Energy: 1.3932843677169653
Energy: 1.3985062517366855
Energy: 1.3947267109357357
Energy: 1.7595086344726096
Energy: 1.3947267109357357
Energy: 1.5228718599665223
Energy: 1.3927739608344591
Energy: 1.759417948755401
Energy: 1.3927739608344591
Energy: 1.4760360039377565
Energy: 1.7220089571785973
Energy: 1.6961650043615129
Energy: 1.7220089571809962
Energy: 1.439304076898059
Energy: 1.3746079326329605
Energy: 1.6251358788624812
Energy: 1.37460793263416
Energy: 1.5112940955718137
Energy: 1.330887293855491
Energy: 1.6262990062595537
Energy: 1.33088729385789
Energy: 1.4180798117629576
Energy: 1.3745165572495541
Energy: 1.617433790123439
Energy: 1.3745165572507538
Energy: 1.492113754698155
Energy: 1.3258489318116826
Energy: 1.3289177148062674
Energy: 1.3258489318104834
Energy: 1.4915970623344161
Energy: 1.439997946979931
Energy: 1.691208831665319
Energy: 1.4399979469787314
Energy: 1.6166522769867677
Energy: 1.4913706901235602
Energy: 1.4334964133776853
Energy: 1.4913706901247596
Energy: 1.606314523479984
Energy: 1.4822922296997059
Energy: 1.4801667436849821
Energy: 1.4822922296997059
Energy: 1.6620337256000404
Energy: 1.4735816839216087
Energy: 1.4336838975441306
Energy: 1.4735816839216087
Energy: 1.7598531162165885
Energy: 1.4398032399643121
Energy: 1.4410120636774415
Energy: 1.4398032399643121
Energy: 1.759872672982347
Energy: 1.4793867261828006
Energy: 1.4376246692165717
Energy: 1.4793867261804017
Energy: 1.646530168214881
Energy: 1.646884078959968
Energy: 1.4390729790684942
Energy: 1.646884078959968
Energy: 1.5838707970746102
Energy: 1.4822807052688474
Energy: 1.441350438297709
Energy: 1.4822807052688474
Energy: 1.5376100639757149
Energy: 1.4622104374013496
Energy: 1.5531583579935995
Energy: 1.462210437402549
Energy: 1.5829919120995752
Energy: 1.509610198039214
Energy: 1.4251665183362177
Energy: 1.509610198038015
Energy: 1.7519914505107574
Energy: 1.4865290648893175
Energy: 1.5956489388016826
Energy: 1.4865290648893175

minimum gb energy = 1.3258489318104834 eV
minimum distance =  2.28885972914973 Angstroms
sigma value = 7


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

Energy: 2.129770725351408
Energy: 1.569182552727757
Energy: 1.6571728530200125
Energy: 1.4841052323694401
Energy: 1.3827449847063518
Energy: 1.373266996897575
Energy: 1.520418925975664
Energy: 1.3732669968958788
Energy: 1.3699399612715053
Energy: 1.3697724501720532
Energy: 1.4882588765533964
Energy: 1.3697724501745974
Energy: 1.3637118726422814
Energy: 1.3729097442410838
Energy: 1.730772590627717
Energy: 1.372909744241932
Energy: 1.4329006687710002
Energy: 1.377169609456573
Energy: 1.6297897799503833
Energy: 1.377169609455725
Energy: 1.3747832285885992
Energy: 1.381777336001388
Energy: 1.6332596359112546
Energy: 1.3817773359996919
Energy: 1.5158737619336438
Energy: 1.4106827530467407
Energy: 1.3712867854916384
Energy: 1.410682753048437
Energy: 1.7219125671421467
Energy: 1.3789731664898532
Energy: 1.4000097357916825
Energy: 1.378973166494942
Energy: 1.6763751715897524
Energy: 1.3702552158620631
Energy: 1.364786584305455
Energy: 1.370255215861215
Energy: 1.6201683424196105
Energy: 1.3708994785405362
Energy: 1.3740149004155309
Energy: 1.3708994785473214
Energy: 1.523537252291094
Energy: 1.3874003438364289
Energy: 1.3661935581561762
Energy: 1.3874003438364289
Energy: 1.5736815777597946
Energy: 1.6091356148153415
Energy: 1.7188801405575405
Energy: 1.609135614817038
Energy: 1.5079051527749259
Energy: 1.4417848545690413
Energy: 1.502211469349606
Energy: 1.4417848545674221
Energy: 1.4970293495460805
Energy: 1.4343773943787717
Energy: 1.3603269492916945
Energy: 1.4343773943779237
Energy: 1.5034084637316751
Energy: 1.4391134075090521
Energy: 1.362856435006309
Energy: 1.4391134075107483
Energy: 1.3670216145182605
Energy: 1.5704979493698603
Energy: 1.5486124599457225
Energy: 1.5704979493664681
Energy: 1.5754085757442435
Energy: 1.377265528495584
Energy: 1.555656177728148
Energy: 1.377265528495584
Energy: 1.3705511246765678
Energy: 1.3714532387492304
Energy: 1.4863926477335894
Energy: 1.3714532387492304
Energy: 1.3626060789822003
Energy: 1.3709801041797975
Energy: 1.5204228346319308
Energy: 1.3709801041814937
Energy: 1.433809138842135
Energy: 1.3796611885302639
Energy: 1.3643587504290007
Energy: 1.3796611885243268
Energy: 1.3678400438393084
Energy: 1.471794076161453
Energy: 1.6235905221435176
Energy: 1.471794076160605
Energy: 1.7226319270209467
Energy: 1.3797374534464866
Energy: 1.3754378332232096
Energy: 1.379737453443942
Energy: 1.7231309197420033
Energy: 1.3708982371787921
Energy: 1.4208670814885127
Energy: 1.3708982371804885
Energy: 1.730753271211079
Energy: 1.3720916536923498
Energy: 1.36385365286777
Energy: 1.372091653682172
Energy: 1.623641650862603
Energy: 1.3691273383848763
Energy: 1.368079991434977
Energy: 1.3691273383882692
Energy: 1.6449833206261948
Energy: 1.3715351159173979
Energy: 1.3835033821245604
Energy: 1.3715351159148534
Energy: 1.6570735738471598
Energy: 1.5712248489932876
Energy: 1.869993946500545
Energy: 1.5712248489949838
Energy: 1.5113698512531744
Energy: 1.44163627041375
Energy: 1.5028012413784115
Energy: 1.4416362704145982
Energy: 1.4903959739942447
Energy: 1.435831457402203
Energy: 1.5055978834081518
Energy: 1.4358314573996587
Energy: 1.5061418137192417
Energy: 1.533927837464746
Energy: 1.3604954601969725
Energy: 1.533927837463898
Energy: 1.7848592407001116
Energy: 1.5071350063100213
Energy: 1.5727034707943888
Energy: 1.5071350063134137

minimum gb energy = 1.3603269492916945 eV
minimum distance =  2.25870062640113 Angstroms
sigma value = 29


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

Energy: 1.2170686023961172
Energy: 1.370112929058545
Energy: 1.2510217609720375
Energy: 1.227086260438323
Energy: 1.2588906293078026
Energy: 1.3686091400946014
Energy: 1.3627133858664087
Energy: 1.3686091400951594
Energy: 1.2637832767348771
Energy: 1.3848493889427178
Energy: 1.2265489231981619
Energy: 1.3848493889418645
Energy: 1.2739325636907828
Energy: 1.2604601986027701
Energy: 1.2706265243906594
Energy: 1.2604601986036565
Energy: 1.2536143313460089
Energy: 1.2616979210046828
Energy: 1.2276970097558182
Energy: 1.2616979210012362
Energy: 1.2729895635219488
Energy: 1.3760843792072772
Energy: 1.2282641250815804
Energy: 1.3760843792081305
Energy: 1.227545712388292
Energy: 1.382941994527395
Energy: 1.2687801565268666
Energy: 1.3829419945268044
Energy: 1.3618973392698033
Energy: 1.2708547118086866
Energy: 1.2719589597545675
Energy: 1.2708547118092774
Energy: 1.2277624850940299
Energy: 1.2654761973378053
Energy: 1.2639297000161451
Energy: 1.2654761973317652

minimum gb energy = 1.2170686023961172 eV
minimum distance =  2.32232137831447 Angstroms
sigma value = 5


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

Energy: 1.6938475879539534
Energy: 1.2816258883483684
Energy: 1.2832356484997633
Energy: 1.3370017744854046
Energy: 1.5128554433924626
Energy: 1.2774904750365685
Energy: 1.5134428009434813
Energy: 1.2774904750389722
Energy: 1.5135444282971757
Energy: 1.3797438529862842
Energy: 1.5047047925373953
Energy: 1.379743852985483
Energy: 1.3047972034796922
Energy: 1.275638022028749
Energy: 1.520384719697981
Energy: 1.2756380220303514
Energy: 1.5516262079643075
Energy: 1.3733042096957846
Energy: 1.5020844965746265
Energy: 1.3733042096949835
Energy: 1.3435221117909661
Energy: 1.2811753370565688
Energy: 1.5036097536318604
Energy: 1.28117533705737
Energy: 1.2758396286405829
Energy: 1.2748158078691891
Energy: 1.5231573155920146
Energy: 1.2748158078691891
Energy: 1.2782205311809456
Energy: 1.2774973901238793
Energy: 1.7087842390904628
Energy: 1.277497390127885
Energy: 1.4963253334350726
Energy: 1.325126326009413
Energy: 1.7069195158907733
Energy: 1.3251263260102142
Energy: 1.4955106923917623
Energy: 1.2585693936883
Energy: 1.2506086430322407
Energy: 1.2585693936891011
Energy: 1.384821322426804
Energy: 1.2469055494658403
Energy: 1.246571711878765
Energy: 1.2469055494666414
Energy: 1.6965239346674599
Energy: 1.2485011718082186
Energy: 1.2441837632806154
Energy: 1.2485011718074175
Energy: 1.698409043576606
Energy: 1.2848652574769206
Energy: 1.2498025314904089
Energy: 1.2848652574777217
Energy: 1.4285875069517564
Energy: 1.3284906153653686
Energy: 1.5007775144997118
Energy: 1.3284906153661697
Energy: 1.2753950551800592
Energy: 1.2770984245318875
Energy: 1.5043670536141227
Energy: 1.2770984245334895
Energy: 1.2816004930392235
Energy: 1.2759823869168672
Energy: 1.5577814663018545
Energy: 1.2759823869176683
Energy: 1.3020368464399943
Energy: 1.3778216988572383
Energy: 1.3008548471286587
Energy: 1.3778216988564371
Energy: 1.5679636543234179
Energy: 1.2779924496803245
Energy: 1.2436276213191226
Energy: 1.2779924496803245
Energy: 1.5073501178404265
Energy: 1.3828667619248185
Energy: 1.518002611201833
Energy: 1.3828667619240171
Energy: 1.518270128425918
Energy: 1.38438066128831
Energy: 1.3012697551660624
Energy: 1.3843806612891114
Energy: 1.5043549909626708
Energy: 1.2800351546734707
Energy: 1.5502171856188898
Energy: 1.2800351546742719
Energy: 1.5010003787184198
Energy: 1.343664383332803
Energy: 1.3453825658282497
Energy: 1.343664383332803
Energy: 1.5774274019687176
Energy: 1.2752149998500193
Energy: 1.2770439274939613
Energy: 1.2752149998492182
Energy: 1.7007493913607163
Energy: 1.2783836516964744
Energy: 1.2842281970411769
Energy: 1.2783836516948723
Energy: 1.7049457616585975
Energy: 1.3244058462785375
Energy: 1.384736307034678
Energy: 1.3244058462785375
Energy: 1.255485768623154
Energy: 1.2545871075083925
Energy: 1.49534226843054
Energy: 1.2545871075067903
Energy: 1.251607802092129
Energy: 1.2470785480167923
Energy: 1.4976999455072375
Energy: 1.2470785480175934
Energy: 1.2851229941092237
Energy: 1.2477537581013913
Energy: 1.3020507468957536
Energy: 1.247753758099789
Energy: 1.253421847969223
Energy: 1.264799222164893
Energy: 1.6997979097942049
Energy: 1.264799222165694
Energy: 1.503068134252332
Energy: 1.3264035478329423
Energy: 1.4190359532240784
Energy: 1.326403547830539
Energy: 1.50304237674948
Energy: 1.2771794882797187
Energy: 1.2784556090898898
Energy: 1.2771794882789176
Energy: 1.5037640224016378
Energy: 1.2769750516641074
Energy: 1.278003871512578
Energy: 1.276975051667312
Energy: 1.3048335325808857
Energy: 1.3390940374257494
Energy: 1.3220652877235548
Energy: 1.3390940374249483

minimum gb energy = 1.2436276213191226 eV
minimum distance =  2.30661521485034 Angstroms
sigma value = 1


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

Energy: 1.8032763102222649
Energy: 1.2451597523547815
Energy: 1.2458751608074712
Energy: 1.21530500610616
Energy: 1.2308805790198074
Energy: 1.2308810592487376
Energy: 1.596789294040189
Energy: 1.2308810592454145
Energy: 1.5387455625648339
Energy: 1.3634250352765576
Energy: 1.538222850124554
Energy: 1.3634250352754498
Energy: 1.2553283204750552
Energy: 1.3656442655959167
Energy: 1.3423858754056357
Energy: 1.3656442655959167
Energy: 1.3398263182045929
Energy: 1.2961013172320617
Energy: 1.585554615195124
Energy: 1.2961013172320617
Energy: 1.2972643825176609
Energy: 1.2445000685413274
Energy: 1.5310493115926247
Energy: 1.2445000685546204
Energy: 1.2237922477948147
Energy: 1.2266890884394603
Energy: 1.3118828670974967
Energy: 1.2266890884461068
Energy: 1.231736306048223
Energy: 1.232176720994598
Energy: 1.7982732522502483
Energy: 1.232176720994598
Energy: 1.3147688573662155
Energy: 1.3007088704675651
Energy: 1.790513247839701
Energy: 1.300708870469781
Energy: 1.5289692584091268
Energy: 1.2331733899448036
Energy: 1.297692882643485
Energy: 1.2331733899459114
Energy: 1.3120165912875865
Energy: 1.2276131448287504
Energy: 1.2249750105102624
Energy: 1.2276131448331813
Energy: 1.7771622432815275
Energy: 1.2300162474829879
Energy: 1.2939445540673655
Energy: 1.2300162474818799
Energy: 1.7784123675811023
Energy: 1.2445707750858246
Energy: 1.3353477167470815
Energy: 1.2445707750869324
Energy: 1.3408841480535048
Energy: 1.2288803811064637
Energy: 1.5368188516752332
Energy: 1.2288803811031401
Energy: 1.257057228576674
Energy: 1.3619556449544983
Energy: 1.5401550241211923
Energy: 1.3619556449511752
Energy: 1.257094397321192
Energy: 1.2297467381470228
Energy: 1.2967206001555334
Energy: 1.2297467381536695
Energy: 1.3093070167360725
Energy: 1.3356881199684707
Energy: 1.5240017395101142
Energy: 1.3356881199762247
Energy: 1.2415802485049126
Energy: 1.2314737002713445
Energy: 1.22577830035156
Energy: 1.231473700269129
Energy: 1.2250502087919701
Energy: 1.2288629902294594
Energy: 1.1914905747365026
Energy: 1.2288629902316748
Energy: 1.2312954907248368
Energy: 1.232409383316869
Energy: 1.7936100075809915
Energy: 1.232409383316869
Energy: 1.525636149989589
Energy: 1.3025169475235752
Energy: 1.314669781732827
Energy: 1.3025169475213596
Energy: 1.5230559781956834
Energy: 1.2299077792597024
Energy: 1.2312458950640168
Energy: 1.2299077792585944
Energy: 1.2991438953433811
Energy: 1.2273095726554952
Energy: 1.22764943696126
Energy: 1.2273095726543872
Energy: 1.7778019979708068
Energy: 1.2288233788404477
Energy: 1.2989844669716568
Energy: 1.2288233788415555

minimum gb energy = 1.1914905747365026 eV
minimum distance =  2.29453697229291 Angstroms
sigma value = 17


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

Energy: 1.9166357316388358
Energy: 1.2532617323745303
Energy: 1.5535334921020443
Energy: 1.2839855201577446
Energy: 1.2198718424622181
Energy: 1.2214711006968337
Energy: 1.4246378307843721
Energy: 1.2214711006995724
Energy: 1.5977118479344297
Energy: 1.4422433494675857
Energy: 1.417964397476012
Energy: 1.4422433494669014
Energy: 1.5889828398426735
Energy: 1.2869722916947601
Energy: 1.4663596341753025
Energy: 1.2869722916927062
Energy: 1.4320151029473367
Energy: 1.201181350913464
Energy: 1.7256193580413048
Energy: 1.2011813509148332
Energy: 1.2288776069179244
Energy: 1.2208270595716966
Energy: 1.450217798152299
Energy: 1.2208270595751198
Energy: 1.1998248759176355
Energy: 1.1977615863096465
Energy: 1.3025958053178037
Energy: 1.1977615863082771
Energy: 1.2362422841360803
Energy: 1.1993213152247788
Energy: 1.1948598372751547
Energy: 1.1993213152254636
Energy: 1.4242153474832275
Energy: 1.200928455439759
Energy: 1.599216647360246
Energy: 1.2009284554390744
Energy: 1.403893262547924
Energy: 1.2850177254100423
Energy: 1.4328597330041097
Energy: 1.285017725417574
Energy: 1.460009613333657
Energy: 1.2246597102687546
Energy: 1.2349629055290592
Energy: 1.2246597102639618
Energy: 1.216879526546276
Energy: 1.221766740344635
Energy: 1.4711447021996165
Energy: 1.221766740343266
Energy: 1.4412161600216309
Energy: 1.2699717687319085
Energy: 1.3096608936679823
Energy: 1.2699717687284853
Energy: 1.2771937279432954
Energy: 1.218450918621949
Energy: 1.2225005229513084
Energy: 1.218450918624688
Energy: 1.5851130487123015
Energy: 1.2214326091195438
Energy: 1.2266622809850116
Energy: 1.221432609116805
Energy: 1.1964073384512277
Energy: 1.2669459642702072
Energy: 1.2701777273460502
Energy: 1.2669459642715766
Energy: 1.2688415849221388
Energy: 1.226103996562767
Energy: 1.7454591861494844
Energy: 1.226103996564821
Energy: 1.2247253404325946
Energy: 1.2195177695005635
Energy: 1.4360372440116234
Energy: 1.2195177695019326
Energy: 1.2752851883415046
Energy: 1.2207472857179944
Energy: 1.4618243682630576
Energy: 1.220747285718679
Energy: 1.3030075126497194
Energy: 1.4741268499248623
Energy: 1.9114714981857537
Energy: 1.4741268499255467
Energy: 1.4221165459126588
Energy: 1.220737130629696
Energy: 1.2691611111699606
Energy: 1.2207371306290111
Energy: 1.4215983080159238
Energy: 1.4436569691414836
Energy: 1.5941249270185847
Energy: 1.4436569691414836
Energy: 1.3032276744825158
Energy: 1.2840886789891677
Energy: 1.589891568285814
Energy: 1.2840886789877985
Energy: 1.730740249541764
Energy: 1.2052492623353017
Energy: 1.4302786107366534
Energy: 1.2052492623311934
Energy: 1.437627663753346
Energy: 1.1997001764350759
Energy: 1.223557121914602
Energy: 1.1997001764350759
Energy: 1.3345526777380092
Energy: 1.1992186611901876
Energy: 1.2048087398644722
Energy: 1.199218661192242
Energy: 1.9178553000572136
Energy: 1.224658984452369
Energy: 1.2216856593010479
Energy: 1.2246589844455222
Energy: 1.495493476208491
Energy: 1.1998992414999876
Energy: 1.45095658978864
Energy: 1.1998992414993028
Energy: 1.428257738797709
Energy: 1.4423600903118234
Energy: 1.4093815514086672
Energy: 1.4423600903111387
Energy: 1.2372304520995328
Energy: 1.2237769357810484
Energy: 1.4574096809437909
Energy: 1.2237769357810484
Energy: 1.4797566159675242
Energy: 1.2231824591849951
Energy: 1.4566736130760571
Energy: 1.2231824591863645
Energy: 1.304887950254444
Energy: 1.294444642484588
Energy: 1.445593317575032
Energy: 1.2944446424852727
Energy: 1.218550827780115
Energy: 1.2175826319511653
Energy: 1.2207637209705515
Energy: 1.217582631953904
Energy: 1.2324883607823822
Energy: 1.2220211686025355
Energy: 1.5825759952739187
Energy: 1.2220211686045894
Energy: 1.26949375517431
Energy: 1.264128027532105
Energy: 1.195833141004303
Energy: 1.2641280275327897
Energy: 1.7463118340845
Energy: 1.2221870231504874
Energy: 1.2849387277971926
Energy: 1.2221870231511722
Energy: 1.2715881485026403
Energy: 1.2184764915909088
Energy: 1.2198459981500096
Energy: 1.218476491590224
Energy: 1.497110507614
Energy: 1.220768020743846
Energy: 1.2993606266137918
Energy: 1.2207680207486387

minimum gb energy = 1.1948598372751547 eV
minimum distance =  2.29439554624935 Angstroms
sigma value = 89


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

Energy: 2.0173224271125734
Energy: 1.1242599915523162
Energy: 1.123117393529499
Energy: 1.1792640362836913
Energy: 1.2278658538464504
Energy: 1.2347824093304842
Energy: 1.225416576847817
Energy: 1.2347824093304842
Energy: 1.1113947587927993
Energy: 1.2338838569929453
Energy: 1.2242569555034857
Energy: 1.2338838569929453
Energy: 1.1114525622437708
Energy: 1.2354382892908373
Energy: 1.227141988158588
Energy: 1.2354382892908373
Energy: 1.2226831142760533
Energy: 1.1238937898316468
Energy: 1.2150029453201578
Energy: 1.1238937898316468
Energy: 1.1249545105590386
Energy: 1.1231718399516006
Energy: 1.2144565846808062
Energy: 1.1231718399516006
Energy: 1.120089250877816
Energy: 1.1210298059394153
Energy: 1.228267370182008
Energy: 1.1210298059394153
Energy: 1.1246404102414802
Energy: 1.1257221262372725
Energy: 1.1141427742932684
Energy: 1.1257221262390635
Energy: 1.1568901394504318
Energy: 1.12388601070639
Energy: 1.110739420524544
Energy: 1.12388601070639
Energy: 1.2245217956943557
Energy: 1.2367470834871248
Energy: 1.226060898825825
Energy: 1.2367470834871248
Energy: 1.2279948130021794
Energy: 1.2348467657988418
Energy: 1.1084437578206179
Energy: 1.2348467658006332
Energy: 1.214823911773354
Energy: 1.1259652308088708
Energy: 1.226736339944219
Energy: 1.1259652308088708
Energy: 1.214864547492431
Energy: 1.1237331069908763
Energy: 1.1248953012455805
Energy: 1.1237331069908763
Energy: 1.2257447679560913
Energy: 1.1204380913058811
Energy: 1.1183009269985928
Energy: 1.1204380913040897
Energy: 1.1115761188645195
Energy: 1.1234239257075682
Energy: 1.1241353873839748
Energy: 1.1234239257075682

minimum gb energy = 1.1084437578206179 eV
minimum distance =  2.31164820881543 Angstroms
sigma value = 13


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

Energy: 1.811425082426662
Energy: 1.0862163052118403
Energy: 1.0834298862310539
Energy: 1.1430055825528413
Energy: 1.538319063532565
Energy: 1.0802847384941368
Energy: 1.2779849504823333
Energy: 1.0802847384903824
Energy: 1.755356805250793
Energy: 1.078321141920459
Energy: 1.2749037161631924
Energy: 1.0783211419167045
Energy: 1.439461952300305
Energy: 1.4193820401762143
Energy: 1.298807439614329
Energy: 1.4193820401792179
Energy: 1.2870147682694164
Energy: 1.1606889376316791
Energy: 1.6150488018308995
Energy: 1.1606889376384368
Energy: 1.275637302144825
Energy: 1.0795142069806007
Energy: 1.6135702712618951
Energy: 1.07951420696415
Energy: 1.2704827939843137
Energy: 1.0780740362301309
Energy: 1.3393805633233908
Energy: 1.0780740362301309
Energy: 1.2843437358206162
Energy: 1.1103436746657784
Energy: 1.268533694373177
Energy: 1.1103436746695328
Energy: 1.0775422030787043
Energy: 1.0791414976628466
Energy: 1.2730220904030811
Energy: 1.0791414976711062
Energy: 1.0838363746411253
Energy: 1.0788673037696752
Energy: 1.3376449847960532
Energy: 1.0788673037764331
Energy: 1.0791984174535623
Energy: 1.0864500926809595
Energy: 1.8133948703087768
Energy: 1.0864500926944067
Energy: 1.6093153478184175
Energy: 1.0785203530113043
Energy: 1.5498211022133643
Energy: 1.0785203530075502
Energy: 1.6171171197933367
Energy: 1.140073547219125
Energy: 1.608580261384219
Energy: 1.140073547213118
Energy: 1.340900822279607
Energy: 1.14459592129665
Energy: 1.4455667324695565
Energy: 1.1445959212876395
Energy: 1.2615883580446563
Energy: 1.0806630024883803
Energy: 1.545700576582934
Energy: 1.0806630024748647
Energy: 1.270440784829472
Energy: 1.079155975800549
Energy: 1.0956797022544884
Energy: 1.0791559757930402
Energy: 1.3436853587564666
Energy: 1.0790852686450976
Energy: 1.0801765939835903
Energy: 1.079085268637589
Energy: 1.7761917762052617
Energy: 1.0798785299311293
Energy: 1.1075428199825983
Energy: 1.079878529927375
Energy: 1.4430534800089592
Energy: 1.0792671989793199
Energy: 1.3067875996522471
Energy: 1.0792671989815725
Energy: 1.5491981187819
Energy: 1.0778331540405315
Energy: 1.264078692855574
Energy: 1.0778331540360262
Energy: 1.4353601266290021
Energy: 1.0832246932002663
Energy: 1.2738718999665084
Energy: 1.0832246931995153
Energy: 1.3134068239518757
Energy: 1.1546776212719725
Energy: 1.6122637097405452
Energy: 1.1546776212689691
Energy: 1.2849117336149267
Energy: 1.0800609183242054
Energy: 1.6120495502592318
Energy: 1.0800609183362193
Energy: 1.0851651623743959
Energy: 1.077098893454741
Energy: 1.3055665305140172
Energy: 1.0770988934434782
Energy: 1.3240009731914555
Energy: 1.108754774847011
Energy: 1.2629958493651154
Energy: 1.1087547748312427
Energy: 1.1149106813179521
Energy: 1.0814446440467191
Energy: 1.2612848926385682
Energy: 1.0814446440512244
Energy: 1.0779547522523107
Energy: 1.0772393933952098
Energy: 1.3162598070848894
Energy: 1.0772393934192377
Energy: 1.0786462083564574
Energy: 1.080955590362955
Energy: 1.0915102548055218
Energy: 1.0809555903584498
Energy: 1.6187457313732097
Energy: 1.0799307740528508
Energy: 1.45177779356235
Energy: 1.079930774051349
Energy: 1.2612064534304006
Energy: 1.1445298660107086
Energy: 1.3415245694421822
Energy: 1.1445298660084564
Energy: 1.3467940333682855
Energy: 1.1502580901851693
Energy: 1.437947008286247
Energy: 1.1502580901919268
Energy: 1.620322133003558
Energy: 1.0796338950613107
Energy: 1.5412372171214423
Energy: 1.0796338950560547
Energy: 1.2642693100914901
Energy: 1.0812486238442405
Energy: 1.0781301401290326
Energy: 1.0812486238464931
Energy: 1.3119443507892243
Energy: 1.0771710732719268
Energy: 1.0782942765292642
Energy: 1.0771710732651687
Energy: 1.4419322730675335
Energy: 1.1101407620603108
Energy: 1.1070526406632086
Energy: 1.1101407620558055

minimum gb energy = 1.0770988934434782 eV
minimum distance =  2.30401651647519 Angstroms
sigma value = 37


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

Energy: 1.598898579351299
Energy: 0.9934276499622283
Energy: 0.9924944074011326
Energy: 1.0696855477379001
Energy: 1.564193487948154
Energy: 0.993123974042017
Energy: 1.3100135984393841
Energy: 0.993123974042017
Energy: 1.605763768492436
Energy: 1.1110515321909131
Energy: 1.3066916134706303
Energy: 1.1110515321896213
Energy: 1.6030755193486934
Energy: 0.9929974129096214
Energy: 1.2873911225547006
Energy: 0.9929974129109134
Energy: 1.5656302724581235
Energy: 1.1114452722211126
Energy: 1.294639103322307
Energy: 1.1114452722211126
Energy: 0.9857922197922339
Energy: 0.9942949291651536
Energy: 1.5656025405030298
Energy: 0.9942949291638618
Energy: 0.9854929659579599
Energy: 0.99153134710817
Energy: 1.6059792178698349
Energy: 0.99153134710817
Energy: 1.1038166239677691
Energy: 0.9941383441120838
Energy: 1.6305007832101361
Energy: 0.9941383441133756
Energy: 0.9935126090499545
Energy: 0.9948822592167107
Energy: 1.6285661101840223
Energy: 0.9948822592167107
Energy: 0.9930794848682499
Energy: 0.9925094952688186
Energy: 1.5497051294643702
Energy: 0.9925094952701105
Energy: 0.9924520015055349
Energy: 1.0696855477391918
Energy: 1.598898579351299
Energy: 0.9934276499544772
Energy: 1.3100135984380925
Energy: 0.993123974042017
Energy: 1.5641934879455706
Energy: 0.9931239740407252
Energy: 1.3066916134706303
Energy: 1.1110515321870378
Energy: 1.6057637684911439
Energy: 1.1110515321883296
Energy: 1.2873911225547006
Energy: 0.9929974129096214
Energy: 1.6030755193486934
Energy: 0.9929974129109134
Energy: 1.294639103322307
Energy: 1.1114452722211126
Energy: 1.5656302724581235
Energy: 1.1114452722198207
Energy: 1.5656025405056133
Energy: 0.9942949291664452
Energy: 0.9857922197909421
Energy: 0.9942949291651536
Energy: 1.6059792178698349
Energy: 0.99153134710817
Energy: 0.9854929659592516
Energy: 0.99153134710817
Energy: 1.6305007832075524
Energy: 0.9941383441133756
Energy: 1.1038166239677691
Energy: 0.9941383441133756
Energy: 1.628566110186606
Energy: 0.9948822592167107
Energy: 0.9935126090512464
Energy: 0.9948822592180024
Energy: 1.5497051294643702
Energy: 0.9925094952714022
Energy: 0.9930794848682499
Energy: 0.9925094952714022

minimum gb energy = 0.9854929659579599 eV
minimum distance =  2.30961683119489 Angstroms
sigma value = 25


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

Energy: 1.8695889736615863
Energy: 0.8949451760912436
Energy: 0.8945497426994832
Energy: 0.961687386062747
Energy: 1.741694267091727
Energy: 0.8952527903150674
Energy: 1.141802706697644
Energy: 0.8952527903140586
Energy: 1.7042920193469862
Energy: 0.8946767869220763
Energy: 1.137224532917341
Energy: 0.894676786923085
Energy: 1.3534582611593624
Energy: 0.8986013184495247
Energy: 1.4282667118111843
Energy: 0.8986013184515423
Energy: 1.7101032566780168
Energy: 0.9896603308250503
Energy: 1.5473666385929297
Energy: 0.9896603308250503
Energy: 1.3828355860664618
Energy: 0.9865790774378462
Energy: 1.5507125094997884
Energy: 0.9865790774368374
Energy: 1.374541131732936
Energy: 0.9912068338815739
Energy: 1.4300750562634856
Energy: 0.9912068338825827
Energy: 1.4269110362179447
Energy: 0.8988636684686236
Energy: 1.5603116878071233
Energy: 0.8988636684676149
Energy: 1.138956312619221
Energy: 0.8944661132599693
Energy: 1.7390984786231058
Energy: 0.8944661132579517
Energy: 1.12836928526997
Energy: 0.8954332644034908
Energy: 1.5589144983486418
Energy: 0.8954332644034908
Energy: 0.8961045626107068
Energy: 0.8950854272086578
Energy: 1.607722794579985
Energy: 0.8950854272096667
Energy: 0.9021213294882043
Energy: 0.8950663217750939
Energy: 1.7383042726142057
Energy: 0.8950663217771115
Energy: 0.8952968129757959
Energy: 0.8969026057399054
Energy: 1.3680419195733324
Energy: 0.8969026057399054
Energy: 1.1369190454022708
Energy: 0.900904380893762
Energy: 1.7401335994462632
Energy: 0.9009043808988059
Energy: 1.1351166521589642
Energy: 0.8941351398997319
Energy: 1.7350999933448048
Energy: 0.8941351399017494
Energy: 1.1452668859487813
Energy: 0.8958857173363551
Energy: 1.698543927851281
Energy: 0.895885717337364
Energy: 1.5277409555043908
Energy: 0.8963078196602707
Energy: 1.7035085658919873
Energy: 0.8963078196602707
Energy: 1.1235903922102761
Energy: 0.9931358520485587
Energy: 1.5511184114147292
Energy: 0.9931358520485587
Energy: 1.5508929333560897
Energy: 0.9878298253129606
Energy: 1.3763598532372763
Energy: 0.9878298253149782
Energy: 1.7423856126562534
Energy: 0.9890536862354431
Energy: 1.3805154390376284
Energy: 0.9890536862354431
Energy: 1.6109935949793466
Energy: 0.9008250960161504
Energy: 1.1381204910812797
Energy: 0.9008250960161504
Energy: 1.7083801019672762
Energy: 0.8938735858691803
Energy: 0.8964522740912748
Energy: 0.8938735858661541
Energy: 1.5405853526179534
Energy: 0.8972063401080529
Energy: 1.1307666114476422
Energy: 0.8972063401060353
Energy: 1.5575802207448974
Energy: 0.8951154296864094
Energy: 0.8957697469302833
Energy: 0.895115429684392
Energy: 1.7385783495675604
Energy: 0.8936004083301107
Energy: 0.8957309533821999
Energy: 0.8936004083311194
Energy: 1.7464901706775116
Energy: 0.8996395779015915
Energy: 0.8961988308563295
Energy: 0.8996395779026004

minimum gb energy = 0.8936004083301107 eV
minimum distance =  2.30882105199994 Angstroms
sigma value = 41


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

Energy: 2.0279047443880303
Energy: 0.8205073133487152
Energy: 0.8280375792806883
Energy: 0.8826993082739354
Energy: 1.648053479845678
Energy: 0.8210543617470167
Energy: 1.0155262222530694
Energy: 0.8210543617470167
Energy: 1.783856507641717
Energy: 0.8194880134382435
Energy: 1.0123219810570532
Energy: 0.8194880134382435
Energy: 1.5592914919243386
Energy: 0.8241611647971371
Energy: 1.3704804712040033
Energy: 0.8241611647946561
Energy: 1.8051243638386334
Energy: 0.8181679731204416
Energy: 1.3748813994717168
Energy: 0.8181679731196146
Energy: 1.530517268741927
Energy: 0.8196815803275945
Energy: 1.3610671579485885
Energy: 0.8196815803275945
Energy: 1.5563059127264705
Energy: 0.8990385410733429
Energy: 1.6670893160506608
Energy: 0.8990385410708619
Energy: 1.523762943422954
Energy: 0.9056258686355615
Energy: 1.3751640801872291
Energy: 0.9056258686372155
Energy: 1.1969032710280125
Energy: 0.8955220412323679
Energy: 1.6506774187857114
Energy: 0.895522041234849
Energy: 1.2013612436998529
Energy: 0.818211652241895
Energy: 1.6468203080939792
Energy: 0.8182116522402408
Energy: 1.004577865456296
Energy: 0.8260345659929738
Energy: 1.813036818426697
Energy: 0.8260345659954549
Energy: 1.005913633186736
Energy: 0.819455030732139
Energy: 1.8072339130481065
Energy: 0.819455030732139
Energy: 1.0057886856408127
Energy: 0.820837109269428
Energy: 1.6435339690961723
Energy: 0.820837109270255
Energy: 0.819410991556039
Energy: 0.8285489318071371
Energy: 1.6636925093582697
Energy: 0.82854893180631
Energy: 0.8234541789866788
Energy: 0.8199961833840205
Energy: 1.8270847890322064
Energy: 0.8199961833848475
Energy: 0.8191326199754687
Energy: 0.8225951216004067
Energy: 1.7862796434780888
Energy: 0.8225951215995797
Energy: 1.006241741632483
Energy: 0.8234860280693089
Energy: 1.771298802303976
Energy: 0.8234860280701358
Energy: 1.0044320132435616
Energy: 1.0026146849000366
Energy: 1.7994508169802024
Energy: 1.0026146848983826
Energy: 1.0029625097392807
Energy: 0.8217693979427904
Energy: 1.5506586407099059
Energy: 0.8217693979452715
Energy: 1.3559489225381458
Energy: 0.8207816274248988
Energy: 1.5466789855421161
Energy: 0.8207816274273798
Energy: 1.393480190421605
Energy: 0.8953500135415693
Energy: 1.6476536868429268
Energy: 0.8953500135423963
Energy: 1.3759004703864557
Energy: 0.8191500098468881
Energy: 1.5570419946470753
Energy: 0.8191500098353098
Energy: 1.6521136076346405
Energy: 0.8933059692804296
Energy: 1.5115074321597306
Energy: 0.8933059692837376
Energy: 1.3742875111132333
Energy: 0.8195948516928865
Energy: 1.3757157661302304
Energy: 0.8195948516928865
Energy: 1.646186096082724
Energy: 0.8960065288659532
Energy: 1.1855950183098076
Energy: 0.8960065288742234
Energy: 1.652129024505257
Energy: 0.8201237844611861
Energy: 1.369681221004962
Energy: 0.8201237844628402
Energy: 1.662737822965426
Energy: 0.8225985610406467
Energy: 1.003812652432434
Energy: 0.8225985610406467
Energy: 1.802753639014074
Energy: 1.0021451642350465
Energy: 1.0019538150513743
Energy: 1.0021451642367005
Energy: 1.690154675695548
Energy: 0.8252388591749213
Energy: 1.0124052914823662
Energy: 0.8252388591781543
Energy: 1.687724949353913
Energy: 0.8230023113700459
Energy: 0.8193863751631921
Energy: 0.8230023113700459
Energy: 1.8029711059217186
Energy: 0.819652200317981
Energy: 0.8219337929072462
Energy: 0.819652200317154
Energy: 1.7817652087018496
Energy: 0.8248155660018002
Energy: 0.819450461204004
Energy: 0.8248155660042812

minimum gb energy = 0.8181679731196146 eV
minimum distance =  2.3041378547205 Angstroms
sigma value = 15


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

Energy: 1.7620247486288652
Energy: 0.7667117679014572
Energy: 0.7684412349968155
Energy: 0.8159539010357545
Energy: 1.7152211594620053
Energy: 0.7605026441533728
Energy: 0.9282645451874951
Energy: 0.7605026441526721
Energy: 1.8353254898964955
Energy: 0.7610829278507526
Energy: 0.9260479852016372
Energy: 0.7610829278535549
Energy: 1.6520943798580798
Energy: 0.7643460502201235
Energy: 1.2349101199101316
Energy: 0.7643460502243272
Energy: 1.72164076529967
Energy: 0.75941145788168
Energy: 1.2352415934510756
Energy: 0.7594114578753746
Energy: 1.6100677753663792
Energy: 0.7576947009339652
Energy: 1.242936353583074
Energy: 0.757694700918552
Energy: 1.3904395432345464
Energy: 0.758138285692795
Energy: 1.4859874436457976
Energy: 0.7581382856906931
Energy: 1.6081757959439995
Energy: 0.8291110060730865
Energy: 1.2342013984992846
Energy: 0.8291110060527691
Energy: 1.389501608154306
Energy: 0.8214120058208596
Energy: 1.4841231824697136
Energy: 0.8214120058145542
Energy: 1.3892898469397286
Energy: 0.8237230019720494
Energy: 1.7352813274449568
Energy: 0.8237230020161873
Energy: 1.2231325146642933
Energy: 0.7623012624841158
Energy: 1.5843230426116888
Energy: 0.7623012624764092
Energy: 1.0705673488442287
Energy: 0.7569387748682018
Energy: 1.7157436919987457
Energy: 0.7569387748682018
Energy: 1.2238734843381116
Energy: 0.7602921859346048
Energy: 1.7189768492574238
Energy: 0.7602921859388084
Energy: 0.912607754781961
Energy: 0.763461686499425
Energy: 1.5236050456749308
Energy: 0.7634616864973233
Energy: 0.9138781329164029
Energy: 0.7583706174534901
Energy: 1.8443514658820384
Energy: 0.7583706174548913
Energy: 0.9383730036697683
Energy: 0.7617555392932298
Energy: 1.7203082870045385
Energy: 0.7617555392953318
Energy: 0.7587932654944375
Energy: 0.7640104301709578
Energy: 1.7226789580527766
Energy: 0.7640104301744607
Energy: 0.7580520776648823
Energy: 0.7576482765535555
Energy: 1.8665192684631409
Energy: 0.7576482765549568
Energy: 0.7587023622110759
Energy: 0.7633111642681158
Energy: 1.6427918850289962
Energy: 0.7633111642702177
Energy: 0.9108217263072698
Energy: 0.7618173460680975
Energy: 1.836969573340641
Energy: 0.7618173460666964
Energy: 0.910381987442549
Energy: 0.7593540226714993
Energy: 1.8504602607632699
Energy: 0.7593540226686969
Energy: 0.9114034901709764
Energy: 0.7628914027885797
Energy: 1.6472399050582258
Energy: 0.7628914027948851
Energy: 1.230474259467335
Energy: 0.7610155031647079
Energy: 1.6036611132360177
Energy: 0.761015503166109
Energy: 1.2346707193264808
Energy: 0.7570321004738905
Energy: 1.7156889606736907
Energy: 0.7570321004738905
Energy: 1.2435557992021216
Energy: 0.7611271373367153
Energy: 1.4072453496470392
Energy: 0.7611271373374159
Energy: 1.4891425674689622
Energy: 0.8219650311096613
Energy: 1.7147496539954958
Energy: 0.8219650311096613
Energy: 1.2331150378994626
Energy: 0.8220054722152407
Energy: 1.480984453611862
Energy: 0.8220054722145402
Energy: 1.4942769147742345
Energy: 0.8266463210075778
Energy: 1.3992366574972037
Energy: 0.8266463210075778
Energy: 1.5182697249134443
Energy: 0.7651625347526453
Energy: 1.4851161039685936
Energy: 0.7651625346707389
Energy: 1.4985076749460415
Energy: 0.7579133529473305
Energy: 1.2246140232166693
Energy: 0.75791335294663
Energy: 1.736802734728351
Energy: 0.7585040041531311
Energy: 1.0704943644852256
Energy: 0.75850400415173
Energy: 1.5211338038825828
Energy: 0.7639797688982531
Energy: 1.2236097282246723
Energy: 0.7639797688968519
Energy: 1.72065248660906
Energy: 0.7608231210370024
Energy: 0.9221975476058114
Energy: 0.7608231210356012
Energy: 1.828134365089996
Energy: 0.7602299654550639
Energy: 0.9189030968262842
Energy: 0.7602299654536626
Energy: 1.712452307906218
Energy: 0.9238204182179772
Energy: 0.8197471603407508
Energy: 0.9238204182172767
Energy: 1.7115227177214123
Energy: 0.7607851936206497
Energy: 0.7715237941881437
Energy: 0.7607851936192483
Energy: 1.827017705121364
Energy: 0.7620098128069346
Energy: 0.7685258618407875
Energy: 0.7620098128041322

minimum gb energy = 0.7569387748682018 eV
minimum distance =  2.30460362751192 Angstroms
sigma value = 85


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

Energy: 1.8639490328765516
Energy: 0.6897857129378383
Energy: 0.6892895195790633
Energy: 0.7808803155755681
Energy: 1.7510783158317875
Energy: 0.6910501212654103
Energy: 0.8224035695896228
Energy: 0.6910501212660178
Energy: 1.6476001387632175
Energy: 0.6904797238373728
Energy: 0.822630338317974
Energy: 0.6904797238379805
Energy: 1.4616716320738457
Energy: 0.6934003328534887
Energy: 1.0998092259258383
Energy: 0.6934003328534887
Energy: 1.7536423318148875
Energy: 0.6892588658852197
Energy: 1.1065961406991272
Energy: 0.6892588658834244
Energy: 1.4646502821755942
Energy: 0.689736546734558
Energy: 1.1082455054945084
Energy: 0.6897365467303045
Energy: 1.440541853404713
Energy: 0.6901945749507764
Energy: 1.3414575385611696
Energy: 0.6901945749501688
Energy: 1.553824024609429
Energy: 0.689995151682161
Energy: 1.1027753719955393
Energy: 0.6899951516809458
Energy: 1.4453314370987786
Energy: 0.689796400360754
Energy: 1.3502661496148693
Energy: 0.6897964003686531
Energy: 1.4444849682410232
Energy: 0.7985614659267548
Energy: 1.5472189651183836
Energy: 0.7985614659285778
Energy: 1.3390240134462357
Energy: 0.6905347842422628
Energy: 1.4015213028414961
Energy: 0.6905347842428704
Energy: 1.2490990375639504
Energy: 0.6897823400961323
Energy: 1.5470146858526825
Energy: 0.6897823400918788
Energy: 1.3475504521016937
Energy: 0.6900678952719203
Energy: 1.5454915396630993
Energy: 0.6900678952719203
Energy: 1.0987172546719097
Energy: 0.6906565569414047
Energy: 1.3522744530225839
Energy: 0.69065655694262
Energy: 0.9549253825749806
Energy: 0.6893036802164196
Energy: 1.7481998588939862
Energy: 0.6893036802164196
Energy: 1.098269412958034
Energy: 0.6916731345479554
Energy: 1.5433496649701528
Energy: 0.6916731345467402
Energy: 0.8232530720083856
Energy: 0.693574023032365
Energy: 1.5427817253858664
Energy: 0.6935740230311497
Energy: 0.8218719865299012
Energy: 0.689328689852184
Energy: 1.8689597794588169
Energy: 0.689328689852184
Energy: 0.823318566756056
Energy: 0.6896299665516211
Energy: 1.7408054271692341
Energy: 0.6896299665522286
Energy: 0.6898219444537904
Energy: 0.6895501398101251
Energy: 1.740216267722294
Energy: 0.6895501398107328
Energy: 0.6907295541573395
Energy: 0.6896294958479477
Energy: 1.847534250959142
Energy: 0.6896294958479477
Energy: 0.6897253108376152
Energy: 0.689410968431205
Energy: 1.6441162741726545
Energy: 0.6894109684305972
Energy: 0.8224162187296328
Energy: 0.6932933329149269
Energy: 1.8368011761619032
Energy: 0.6932933329155346
Energy: 0.8255525544989692
Energy: 0.6893307248913206
Energy: 1.7549343061975533
Energy: 0.6893307248919284
Energy: 0.8240353196584389
Energy: 0.6893732653592729
Energy: 1.4618450890479409
Energy: 0.6893732653598805
Energy: 1.1118467081470682
Energy: 0.6898191975023814
Energy: 1.8455824062322093
Energy: 0.6898191975023814
Energy: 1.1077197497669689
Energy: 0.6893685765867278
Energy: 1.6489353626876084
Energy: 0.6893685765867278
Energy: 1.3372275189129983
Energy: 0.6909195024252904
Energy: 1.4396316933967988
Energy: 0.6909195024222524
Energy: 1.3486397931672538
Energy: 0.690348339807739
Energy: 1.659322764367383
Energy: 0.6903483398053086
Energy: 1.3600406520325334
Energy: 0.6897899730434971
Energy: 1.443133745258956
Energy: 0.6897899730477506
Energy: 1.549957493054266
Energy: 0.7985236740887519
Energy: 1.2449012919326445
Energy: 0.7985236740881444
Energy: 1.3450909209320858
Energy: 0.7974087494029735
Energy: 1.5502939026252565
Energy: 0.7974087494023657
Energy: 1.5495186590805305
Energy: 0.6896742952993886
Energy: 1.24553977816811
Energy: 0.6896742953012116
Energy: 1.7672472101981733
Energy: 0.6896545530675481
Energy: 1.2458467975746736
Energy: 0.6896545530681557
Energy: 1.3988149745369696
Energy: 0.6922433069414378
Energy: 1.2572208070034663
Energy: 0.692243306942653
Energy: 1.7521069163223943
Energy: 0.6895250665385598
Energy: 1.107350340221223
Energy: 0.6895250665415981
Energy: 1.7492248547614295
Energy: 0.6900613780218828
Energy: 1.0999106677183972
Energy: 0.6900613780224906
Energy: 1.541711908230163
Energy: 0.6892374659978605
Energy: 0.8237336472215137
Energy: 0.689237465997253
Energy: 1.848971789174741
Energy: 0.6895662156934528
Energy: 0.8244331990671577
Energy: 0.6895662156934528
Energy: 1.7401024564857086
Energy: 0.6933270529570175
Energy: 0.8226067555223235
Energy: 0.6933270529564098
Energy: 1.5536552966604087
Energy: 0.6896486185643842
Energy: 0.689926741268046
Energy: 0.6896486185649919
Energy: 1.8472678180381834
Energy: 0.689711823334256
Energy: 0.6904090101089762
Energy: 0.689711823334256
Energy: 1.6444339348012411
Energy: 0.6894793604215723
Energy: 0.689616922436978
Energy: 0.68947936042218

minimum gb energy = 0.689237465997253 eV
minimum distance =  2.30812375415288 Angstroms
sigma value = 113


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

Energy: 0.020445227740899904
Energy: 0.7316519707001157
Energy: 1.514216338517363
Energy: 0.022156458723217472
Energy: 0.9187164245999317
Energy: 0.15110049285995228
Energy: 0.9217914799970535
Energy: 0.15110049286088645
Energy: 0.021487720605426627
Energy: 0.15050680248375642
Energy: 0.9191598283639967
Energy: 0.15050680248328932
Energy: 0.02340922554785268
Energy: 0.14954581005025183
Energy: 0.9166277442990045
Energy: 0.1495458100498366
Energy: 0.9225819943376338
Energy: 0.14975165136186908
Energy: 0.9211590974942809
Energy: 0.14975165136046772
Energy: 0.021018758811377318
Energy: 0.15007347420296685
Energy: 0.918773117385894
Energy: 0.15007347420068315

minimum gb energy = 0.020445227740899904 eV
minimum distance =  2.46223133822401 Angstroms
sigma value = 1