Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.867570169270039
cohesive_energy=4.280336240308329
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013146001473464697
Energy: 0.01370019229407457
Energy: 2.196403017725814
Energy: 0.01370019229407457
Energy: 0.01370019229407457
Energy: 0.013301110247639126
Energy: 0.4495733209640465
Energy: 0.013301110247639126
Energy: 2.196403017725814
Energy: 0.4495733209640465
Energy: 0.44953031496728274
Energy: 0.4495733209640465
Energy: 0.01370019229407457
Energy: 0.013301110247639126
Energy: 0.4495733209640465
Energy: 0.013301110247639126

minimum gb energy = 0.013146001473464697 eV
minimum distance =  2.480730181484 Angstroms
sigma value = 1


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

Energy: 1.2062666517266936
Energy: 1.2567131526342528
Energy: 1.5291723290196457
Energy: 1.256713152633044
Energy: 1.3407641337644027
Energy: 0.7986357801939895
Energy: 0.8666766176558369
Energy: 0.7986357801927805
Energy: 1.5274419728394535
Energy: 0.8291687317374714
Energy: 0.812499479645488
Energy: 0.8291687317362624
Energy: 1.2006888209012145
Energy: 0.8011628707761307
Energy: 0.8293637896401649
Energy: 0.8011628707749218
Energy: 1.2079652541628412
Energy: 0.8011681334543818
Energy: 1.2269721907835773
Energy: 0.8011681334543818
Energy: 1.3450230790465658
Energy: 0.8021485870156924
Energy: 0.8017861404668459
Energy: 0.8021485870156924
Energy: 1.0113695990011267
Energy: 0.8678443056139236
Energy: 0.8017144339941398
Energy: 0.8678443056151323
Energy: 0.8020724021442871
Energy: 0.7989210027965653
Energy: 1.2270044865806005
Energy: 0.7989210027965653
Energy: 1.0112627184347889
Energy: 0.7991475504328416
Energy: 1.19824092066346
Energy: 0.7991475504316325
Energy: 1.3843592178549322
Energy: 0.802125211427803
Energy: 0.9863407819435395
Energy: 0.802125211427803
Energy: 0.8110591394904628
Energy: 0.8666892687759706
Energy: 1.1063367680559952
Energy: 0.8666892687747616
Energy: 0.8112203709115042
Energy: 0.8112551131806157
Energy: 1.7203939425036632
Energy: 0.8112551131806157
Energy: 1.0173921717713341
Energy: 0.8664945232683121
Energy: 1.2023515703746865
Energy: 0.8664945232683121
Energy: 0.8262772596189242
Energy: 0.7986475553397159
Energy: 1.2080588229190132
Energy: 0.798647555338507
Energy: 0.8262004262949343
Energy: 0.7993373630576562
Energy: 1.3381550562836553
Energy: 0.7993373630564474
Energy: 0.8264259859852797
Energy: 0.7991359742533559
Energy: 1.3380779668415987
Energy: 0.7991359742533559
Energy: 0.8262432854635516
Energy: 0.798303016424153
Energy: 1.2047555316367597
Energy: 0.798303016424153
Energy: 1.0174186157780554
Energy: 0.866207649540929
Energy: 1.2044169329127135
Energy: 0.8662076495397202
Energy: 0.8149594163691416
Energy: 0.8112848765984011
Energy: 1.744408415133026
Energy: 0.8112848765984011
Energy: 0.8110975039507092
Energy: 0.8666257570780068
Energy: 1.010420433013416
Energy: 0.8666257570780068
Energy: 1.3842930380752252
Energy: 0.8017784226839365
Energy: 0.9892644086416148
Energy: 0.8017784226827276
Energy: 1.011393983327155
Energy: 0.8009804046617738
Energy: 1.1982468902035943
Energy: 0.800980404660565
Energy: 0.8948288006420632
Energy: 0.7988387849431983
Energy: 1.0141287321152492
Energy: 0.7988387849444071
Energy: 1.2083998258756743
Energy: 0.8677544371141942
Energy: 0.8016120215945594
Energy: 0.8677544371141942
Energy: 1.3449787478797852
Energy: 0.8020344023426703
Energy: 0.8017478915198071
Energy: 0.8020344023426703
Energy: 1.2136216993660394
Energy: 0.8015428352765572
Energy: 1.2268867207946064
Energy: 0.8015428352753483
Energy: 1.204975746866627
Energy: 0.8009586246390387
Energy: 0.8291643856574651
Energy: 0.8009586246390387
Energy: 1.5274271454318618
Energy: 0.8292837262851473
Energy: 0.8132682798552983
Energy: 0.8292837262863562
Energy: 1.3402484279118727
Energy: 0.7986891527926783
Energy: 0.8673126370125264
Energy: 0.7986891527926783
Energy: 1.2068919700625738
Energy: 0.8062254666527964
Energy: 0.8292890954937303
Energy: 0.8062254666527964
Energy: 1.3431462261711147
Energy: 0.7986219543408292
Energy: 0.8685860489876618
Energy: 0.7986219543420381
Energy: 1.3450071741705218
Energy: 0.8087618221107281
Energy: 0.8133140721003285
Energy: 0.8087618221119371
Energy: 1.207767174253188
Energy: 0.8010983460454757
Energy: 0.8306193786965345
Energy: 0.8010983460466846

minimum gb energy = 0.798303016424153 eV
minimum distance =  2.32746087695058 Angstroms
sigma value = 1


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

Energy: 1.313492186555549
Energy: 1.3139955622987252
Energy: 0.9980509357561714
Energy: 1.3139955622987252
Energy: 1.2684808128836302
Energy: 0.8979569769022967
Energy: 0.9055343125862511
Energy: 0.8979569769022967
Energy: 1.2830536848205674
Energy: 0.8574569613365164
Energy: 0.8575369219640342
Energy: 0.8574569613365164
Energy: 0.8224393367293784
Energy: 0.8366988279139393
Energy: 0.9018681097828111
Energy: 0.836698827912561
Energy: 0.8225113379443477
Energy: 0.8365002184461647
Energy: 1.3499005407394435
Energy: 0.8365002184475431
Energy: 1.282815959374341
Energy: 0.8368016203724303
Energy: 0.8365517899291495
Energy: 0.8368016203724303
Energy: 0.8372926977081979
Energy: 0.9001959575499432
Energy: 0.8365901988154769
Energy: 0.9001959575499432
Energy: 0.8365036135478712
Energy: 0.8365196001401004
Energy: 1.3496443769908708
Energy: 0.8365196001401004
Energy: 0.8374176442073897
Energy: 0.897891052173083
Energy: 1.286203871513561
Energy: 0.897891052173083
Energy: 0.9016720379687461
Energy: 0.8225209477565929
Energy: 0.8226729138425337
Energy: 0.8225209477565929
Energy: 0.8576802474082529
Energy: 0.914456016782069
Energy: 1.286468462835905
Energy: 0.914456016782069
Energy: 0.8372134469296708
Energy: 0.8364424809310619
Energy: 1.6569968778245074
Energy: 0.8364424809310619
Energy: 0.9020013617615342
Energy: 0.8226403471099105
Energy: 1.325019739371308
Energy: 0.8226403471085322
Energy: 0.9020013617642909
Energy: 0.8223119723863752
Energy: 1.324989582027291
Energy: 0.8223119723863752
Energy: 0.8372959156459686
Energy: 0.8364794547782239
Energy: 1.6591756378150853
Energy: 0.8364794547782239
Energy: 0.8576474029157498
Energy: 0.9145547450186842
Energy: 1.2865069464275964
Energy: 0.9145547450186842
Energy: 0.9016720379687461
Energy: 0.822532078034964
Energy: 0.8226774889204892
Energy: 0.822532078034964
Energy: 0.8375755350909401
Energy: 0.8977191773665802
Energy: 1.2862207424473082
Energy: 0.8977191773665802
Energy: 0.8365039023131632
Energy: 0.836520249853377
Energy: 1.3496443769908708
Energy: 0.8365202498519987
Energy: 0.8373170302939132
Energy: 0.9002108096204348
Energy: 0.8365889939613317
Energy: 0.9002108096204348
Energy: 1.2828421113633264
Energy: 0.8367964658585345
Energy: 0.8365288521125511
Energy: 0.8367964658585345
Energy: 0.8225305763585095
Energy: 0.8364757008667685
Energy: 1.3499005407394435
Energy: 0.8364757008667685
Energy: 0.8224347057261133
Energy: 0.8367230117447416
Energy: 0.9018681097828111
Energy: 0.8367230117447416
Energy: 1.2828989280281113
Energy: 0.8574577937481369
Energy: 0.8575273650171821
Energy: 0.8574577937481369
Energy: 1.268705622845201
Energy: 0.8978592513553212
Energy: 0.9055343125848728
Energy: 0.8978592513566994
Energy: 1.313492186555549
Energy: 1.3139955622987252
Energy: 0.998047885113597
Energy: 1.3139955622987252
Energy: 1.2684808128836302
Energy: 0.897956976903675
Energy: 0.9055343125862511
Energy: 0.8979569769022967
Energy: 1.2830536848205674
Energy: 0.8574569613365164
Energy: 0.8575369219640342
Energy: 0.8574569613365164
Energy: 0.8224393367293784
Energy: 0.836698827912561
Energy: 0.9018681097828111
Energy: 0.836698827912561

minimum gb energy = 0.8223119723863752 eV
minimum distance =  2.31823511081474 Angstroms
sigma value = 25


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

Energy: 1.170089594353207
Energy: 1.0059798667282387
Energy: 1.4186916954530473
Energy: 1.0059798667282387
Energy: 1.3958681995786602
Energy: 0.8936364503365172
Energy: 1.0223656136110106
Energy: 0.8936364503365172
Energy: 1.4128864348280854
Energy: 0.9097190278169379
Energy: 0.9097847894736091
Energy: 0.9097190278185401
Energy: 1.178571158623739
Energy: 0.8823442054064176
Energy: 1.0223727095694333
Energy: 0.8823442054064176
Energy: 1.1692559301604368
Energy: 0.8822971896860166
Energy: 1.1720639476372063
Energy: 0.8822971896860166
Energy: 1.4076869555703075
Energy: 0.8936149623998448
Energy: 0.8934693345350117
Energy: 0.8936149623998448
Energy: 0.9135699927003289
Energy: 0.8820913895950938
Energy: 0.893436178243801
Energy: 0.8820913895934916
Energy: 0.8911215089409336
Energy: 0.9135590205985684
Energy: 1.440120946293198
Energy: 0.9135590205969661
Energy: 0.9848077815207178
Energy: 0.9770029092467718
Energy: 1.168150236237643
Energy: 0.9770029092467718
Energy: 0.9420641449737629
Energy: 0.8828977709644633
Energy: 1.1654947507030389
Energy: 0.8828977709644633
Energy: 0.9439828879856758
Energy: 0.976413421629977
Energy: 1.397109498839766
Energy: 0.976413421629977
Energy: 0.9567728530386448
Energy: 0.9139327900715215
Energy: 1.3970460487696579
Energy: 0.9139327900715215
Energy: 0.9416450007988889
Energy: 0.8827819725348963
Energy: 1.1641090021396825
Energy: 0.8827819725348963
Energy: 0.9847770827644283
Energy: 0.9771449096220483
Energy: 1.168254904685163
Energy: 0.9771449096236504
Energy: 0.8973784204704438
Energy: 0.9136164232976751
Energy: 1.6600254114808621
Energy: 0.9136164232960726
Energy: 0.9134139878187209
Energy: 0.881983381791174
Energy: 0.8934749855036116
Energy: 0.881983381791174
Energy: 1.683285673702898
Energy: 0.8935480186949586
Energy: 0.8934876400971145
Energy: 0.8935480186949586
Energy: 1.1690505481687645
Energy: 0.8823168837064717
Energy: 1.1724563480904382
Energy: 0.8823168837064717
Energy: 1.179323130527859
Energy: 0.8820035385856931
Energy: 1.0232139132200166
Energy: 0.8820035385856931
Energy: 1.1518068515754643
Energy: 0.8938253568575446
Energy: 0.9105578097746344
Energy: 0.8938253568575446
Energy: 1.3964634667031142
Energy: 0.8934916508800328
Energy: 0.9018642361407976
Energy: 0.8934916508800328
Energy: 1.1713660376119777
Energy: 0.883451126261523
Energy: 0.9540429326357619
Energy: 0.883451126261523
Energy: 1.3966098193226735
Energy: 0.9759777019318338
Energy: 0.9539014522419015
Energy: 0.9759777019318338
Energy: 1.5386661761848859
Energy: 0.9100085991825322
Energy: 0.9109520381187041
Energy: 0.9100085991825322
Energy: 1.169258339010157
Energy: 0.8822845451921704
Energy: 0.9020094162159957
Energy: 0.8822845451921704

minimum gb energy = 0.881983381791174 eV
minimum distance =  2.33173579121835 Angstroms
sigma value = 9


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

Energy: 0.9183754721579759
Energy: 0.9173046618223918
Energy: 1.026967661756061
Energy: 0.9173046618225871
Energy: 0.917012054732348
Energy: 0.9469048344235753
Energy: 0.9467403431794437
Energy: 0.9469048344235753
Energy: 0.9968959619786458
Energy: 0.9968283494810547
Energy: 0.9975527336369515
Energy: 0.9968283494810547
Energy: 0.9466650840131973
Energy: 0.9469580993189796
Energy: 0.9467194341889461
Energy: 0.946958099319175
Energy: 0.9467922409689946
Energy: 0.9472106328953986
Energy: 0.9967340126602907
Energy: 0.9472106328953986
Energy: 1.688069157153096
Energy: 0.946913020906836
Energy: 0.9466214563592245
Energy: 0.946913020906836
Energy: 0.9466297484590945
Energy: 0.9472068012871776
Energy: 0.9467883403385748
Energy: 0.9472068012871776
Energy: 0.9469482315128427
Energy: 0.9469051613933839
Energy: 1.5251371368745839
Energy: 0.9469051613933839
Energy: 1.1151955354641854
Energy: 0.9468909620603129
Energy: 0.9171800420325518
Energy: 0.9468909620597262
Energy: 1.1154932260615285
Energy: 0.9173501254151222
Energy: 0.9171897855208878
Energy: 0.9173501254153176
Energy: 0.9471440185325151
Energy: 1.0547173426044625
Energy: 1.5251847584251788
Energy: 1.0547173426044625
Energy: 1.0488642666094228
Energy: 0.9172152146811428
Energy: 0.9471124377329191
Energy: 0.9172152146813384
Energy: 1.1149948459553032
Energy: 0.9467898798579792
Energy: 0.9468640275044703
Energy: 0.9467898798579792
Energy: 0.9468027561837902
Energy: 1.020259399664651
Energy: 0.9468756306262907
Energy: 1.020259399664651
Energy: 0.9468653829616952
Energy: 0.9467906828570901
Energy: 1.1149948459566281
Energy: 0.9467906828572857
Energy: 0.9468537562470188
Energy: 0.9170745600581267
Energy: 1.0488734438694982
Energy: 0.9170745600581267
Energy: 1.525174221059248
Energy: 1.0545861583229243
Energy: 0.9471499105733099
Energy: 1.0545861583227287
Energy: 0.9170902857482044
Energy: 0.9173068643423722
Energy: 1.1154932260607466
Energy: 0.9173068643423722
Energy: 0.9171739271008955
Energy: 0.9473483200604557
Energy: 1.115195535463056
Energy: 0.9473483200604557
Energy: 1.5251381418810932
Energy: 0.9467643446793228
Energy: 0.9468528160643944
Energy: 0.9467643446793228
Energy: 0.946768505778556
Energy: 0.9471811252727564
Energy: 0.9466820346695699
Energy: 0.9471811252729518

minimum gb energy = 0.917012054732348 eV
minimum distance =  2.31124957842408 Angstroms
sigma value = 25


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

Energy: 1.0418641256521493
Energy: 1.0289690100551194
Energy: 1.1284267564155923
Energy: 1.028969010054636
Energy: 1.4050861812018605
Energy: 1.1103005206597287
Energy: 1.0809578233653843
Energy: 1.1103005206597287
Energy: 1.0654044173062542
Energy: 1.0645841190683436
Energy: 1.0690329623587465
Energy: 1.06458411906786
Energy: 1.0293366716102161
Energy: 1.06469423924762
Energy: 1.0492780037846177
Energy: 1.0646942392471632
Energy: 1.0647225137801628
Energy: 1.1104417917480858
Energy: 1.4318809846063527
Energy: 1.1104417917478442
Energy: 1.4808858848426707
Energy: 1.0286657228030032
Energy: 1.0287571672544777
Energy: 1.0286657228025464
Energy: 1.1296460882488895
Energy: 1.0653288013097966
Energy: 1.0287592510798835
Energy: 1.0653288013095548
Energy: 1.0646166146332525
Energy: 1.1292184867789297
Energy: 1.4322124105960865
Energy: 1.1292184867789297
Energy: 1.1292046386746066
Energy: 1.0288719984133798
Energy: 1.0284998101725866
Energy: 1.0288719984133798
Energy: 1.0652829757541469
Energy: 1.0291327780031134
Energy: 1.0286145147286172
Energy: 1.0291327780031134
Energy: 1.0645053414444317
Energy: 1.0648715376998226
Energy: 1.4019247596729598
Energy: 1.064871537699581
Energy: 1.0645151674443796
Energy: 1.0292208563566725
Energy: 1.0489599832833119
Energy: 1.0292208563571292
Energy: 1.343427667885327
Energy: 1.0496489367622224
Energy: 1.0497940387006155
Energy: 1.0496489367619806
Energy: 1.4046799978070907
Energy: 1.1104070292520307
Energy: 1.146743671229406
Energy: 1.1104070292520307
Energy: 1.2511218724376247
Energy: 1.0287397240224898
Energy: 1.1469319948232903
Energy: 1.028739724022275
Energy: 1.3932611806501234
Energy: 1.037047221676818
Energy: 1.0494555143972917
Energy: 1.037047221676818
Energy: 1.0645955297404948
Energy: 1.0290514318928496
Energy: 1.0504095843253594
Energy: 1.0290514318933064

minimum gb energy = 1.0284998101725866 eV
minimum distance =  2.28802194139522 Angstroms
sigma value = 17


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

Energy: 1.3285071336768133
Energy: 1.0645871687619142
Energy: 1.1209016798571723
Energy: 1.0645871687605755
Energy: 1.3063716870473197
Energy: 1.059148738645677
Energy: 1.0956043925979406
Energy: 1.059148738647016
Energy: 1.1153220050082653
Energy: 1.0954838394743507
Energy: 1.0872475357023161
Energy: 1.0954838394743507
Energy: 1.073104422979481
Energy: 1.073251566398792
Energy: 1.09698564824219
Energy: 1.073251566398792
Energy: 1.070673527455579
Energy: 1.1316673211475623
Energy: 1.305152545741747
Energy: 1.131667321148901
Energy: 1.3190094482022212
Energy: 1.0583010717210695
Energy: 1.080289529963687
Energy: 1.0583010717197308
Energy: 1.1321521146837104
Energy: 1.0739647089976005
Energy: 1.3051807206165444
Energy: 1.0739647089976005
Energy: 1.0874548515342668
Energy: 1.0733015901727723
Energy: 1.3248689966304001
Energy: 1.0733015901727723
Energy: 1.0863931747466546
Energy: 1.0893734587507176
Energy: 1.0649149184773958
Energy: 1.0893734587493784
Energy: 1.3121184302282292
Energy: 1.1440319130263747
Energy: 1.0893091661868441
Energy: 1.1440319130263747
Energy: 1.0772798110323891
Energy: 1.0769931780195376
Energy: 1.2944872950702035
Energy: 1.0769931780195376
Energy: 1.0770112219741106
Energy: 1.0897804275235352
Energy: 1.1404061335529194
Energy: 1.0897804275235352
Energy: 1.311475853222361
Energy: 1.1238540857905723
Energy: 1.0951096158059541
Energy: 1.1238540857905723
Energy: 1.076997772736573
Energy: 1.077032484198123
Energy: 1.1240438570070832
Energy: 1.077032484198123
Energy: 1.076887628821574
Energy: 1.070994347746591
Energy: 1.3249844043080286
Energy: 1.0709943477479298
Energy: 1.3963288732600667
Energy: 1.0892598624646614
Energy: 1.0652716895085375
Energy: 1.0892598624633227
Energy: 1.1004302060322915
Energy: 1.1563392596770155
Energy: 1.089180328487961
Energy: 1.1563392596770155
Energy: 1.0874218411766605
Energy: 1.132145878496103
Energy: 1.3194424576534438
Energy: 1.132145878496103
Energy: 1.1361142921828142
Energy: 1.1440539199876438
Energy: 1.1961438482019258
Energy: 1.1440539199876438
Energy: 1.3101747162645978
Energy: 1.1448973037601846
Energy: 1.3059916040957038
Energy: 1.144897303758846
Energy: 1.0715371786153332
Energy: 1.1145346748844076
Energy: 1.3665811870606999
Energy: 1.1145346748830687
Energy: 1.0702547509130877
Energy: 1.0904664498288352
Energy: 1.0950679583795622
Energy: 1.0904664498288352
Energy: 1.3446779908310644
Energy: 1.0950854597038944
Energy: 1.0953229008237626
Energy: 1.0950854597038944
Energy: 1.3213937862969554
Energy: 1.0591524013803204
Energy: 1.1526677442786832
Energy: 1.0591524013803204
Energy: 1.327691734319593
Energy: 1.0592749049152663
Energy: 1.1526993633883658
Energy: 1.0592749049152663
Energy: 1.3502825399594505
Energy: 1.094819627224816
Energy: 1.0957653125781628
Energy: 1.0948196272234774
Energy: 1.0706343354547119
Energy: 1.0897015474870728
Energy: 1.095325643523318
Energy: 1.0897015474870728
Energy: 1.074330852338789
Energy: 1.0731597329039353
Energy: 1.368019391085933
Energy: 1.0731597329039353
Energy: 1.114703089789296
Energy: 1.1436276895264237
Energy: 1.3089300046673396
Energy: 1.1436276895250848
Energy: 1.1327086803085724
Energy: 1.0587269408449527
Energy: 1.0779445222302864
Energy: 1.0587269408436137

minimum gb energy = 1.0583010717197308 eV
minimum distance =  2.30043529975371 Angstroms
sigma value = 53


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

Energy: 1.0321659982423104
Energy: 1.0317070926583765
Energy: 1.1967902056553643
Energy: 1.0317070926583765
Energy: 1.0318220393127886
Energy: 1.0314771518712407
Energy: 1.0321134945641735
Energy: 1.0314771518709254
Energy: 1.605859632278269
Energy: 1.1084090458648288
Energy: 1.1152635038268761
Energy: 1.1084090458645137
Energy: 1.1152446052400957
Energy: 1.108418816008506
Energy: 1.6058664666420233
Energy: 1.108418816008506
Energy: 1.0321306476548309
Energy: 1.03146151278256
Energy: 1.0317373655403124
Energy: 1.03146151278256
Energy: 2.5220439587268735
Energy: 1.0317070926583765
Energy: 1.032165998241995
Energy: 1.0317070926586918
Energy: 1.0321134945641735
Energy: 1.0314771518706454
Energy: 1.0318220393130686
Energy: 1.0314771518706454
Energy: 1.1152635038271912
Energy: 1.1084090458651088
Energy: 1.605859632278269
Energy: 1.1084090458648288
Energy: 1.6058664666420233
Energy: 1.1084188160088213
Energy: 1.1152446052397806
Energy: 1.108418816008506
Energy: 1.0317373655412232
Energy: 1.03146151278256
Energy: 1.0321306476545156
Energy: 1.0314615127822797
Energy: 1.0321659982423104
Energy: 1.0317070926580612
Energy: 1.196790173681708
Energy: 1.0317070926586918
Energy: 1.0318220393127886
Energy: 1.0314771518709254
Energy: 1.0321134945641735
Energy: 1.0314771518712407
Energy: 1.605859632278269
Energy: 1.1084090458648288
Energy: 1.1152635038268761
Energy: 1.1084090458648288

minimum gb energy = 1.0314615127822797 eV
minimum distance =  2.29209018663005 Angstroms
sigma value = 9


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

Energy: 1.2206337152712714
Energy: 1.4391503988535044
Energy: 1.234305640871783
Energy: 1.4391503988535044
Energy: 1.4064800432990272
Energy: 1.15130852894768
Energy: 1.1807046469931068
Energy: 1.15130852894768
Energy: 1.2072726041051725
Energy: 1.186711576073918
Energy: 1.1819133053329378
Energy: 1.1867115760750586
Energy: 1.2013447308172156
Energy: 1.2058490267054816
Energy: 1.1812092295489227
Energy: 1.205849026704341
Energy: 1.236054744681467
Energy: 1.1819101293349041
Energy: 1.41115197479299
Energy: 1.1819101293349041
Energy: 1.4079533533914659
Energy: 1.2133987542042295
Energy: 1.2123730866555416
Energy: 1.2133987542053704
Energy: 1.1594108264492302
Energy: 1.1519969810179878
Energy: 1.4107919215896199
Energy: 1.1519969810191284
Energy: 1.1733245896156932
Energy: 1.1580767488369244
Energy: 1.1989124621512486
Energy: 1.1580767488369244
Energy: 1.1588795685628086
Energy: 1.1859743928606883
Energy: 1.216082649452268
Energy: 1.1859743928606883
Energy: 1.2141399325087006
Energy: 1.1826452413700106
Energy: 1.2631638767423463
Energy: 1.18264524136887
Energy: 1.1461282560843307
Energy: 1.2163640288431203
Energy: 1.4104618825307005
Energy: 1.2163640288431203
Energy: 1.4198799902129264
Energy: 1.1794295950097344
Energy: 1.1468919999093572
Energy: 1.1794295950097344
Energy: 1.24220380050035
Energy: 1.1456119953178463
Energy: 1.1483690470122974
Energy: 1.1456119953178463
Energy: 1.2341404528504496
Energy: 1.2097641412264424
Energy: 1.2289199774773154
Energy: 1.2097641412241609
Energy: 1.2367300919313085
Energy: 1.1588142368536734
Energy: 1.146280976365897
Energy: 1.1588142368536734
Energy: 1.4322271257244286
Energy: 1.1456942713856755
Energy: 1.1513131419665816
Energy: 1.1456942713856755
Energy: 1.2140759646994466
Energy: 1.2347694841199277
Energy: 1.4391064876056
Energy: 1.2347694841199277
Energy: 1.142906138197819
Energy: 1.2152190078143392
Energy: 1.2677229382309727
Energy: 1.2152190078143392
Energy: 1.4193232758964809
Energy: 1.1998939437311893
Energy: 1.1983629435013092
Energy: 1.1998939437311893
Energy: 1.159255053102507
Energy: 1.1464081893339857
Energy: 1.235054968086673
Energy: 1.1464081893351263
Energy: 1.1798203478673137
Energy: 1.1584677175819051
Energy: 1.4339106794117815
Energy: 1.1584677175807645
Energy: 1.2527026223503597
Energy: 1.175711701175644
Energy: 1.2095336657970779
Energy: 1.175711701174503
Energy: 1.3083159098401704
Energy: 1.2135434831171572
Energy: 1.2126628061637466
Energy: 1.2135434831171572
Energy: 1.205585721043917
Energy: 1.2054738835603365
Energy: 1.423218020536211
Energy: 1.2054738835603365
Energy: 1.2139265993128168
Energy: 1.158729171057932
Energy: 1.188447510865805
Energy: 1.1587291710590728
Energy: 1.3373109078931795
Energy: 1.1805111553426921
Energy: 1.1911629994241877
Energy: 1.1805111553415515
Energy: 1.3138858694316415
Energy: 1.1740783683044
Energy: 1.2866513859210802
Energy: 1.1740783683055407
Energy: 1.2213591588114137
Energy: 1.1780723717690251
Energy: 1.2857477573133629
Energy: 1.1780723717678845
Energy: 1.3966846644169701
Energy: 1.1806101310819448
Energy: 1.1875680951130763
Energy: 1.1806101310819448
Energy: 1.1903219175353712
Energy: 1.2482493917410376
Energy: 1.1883413396960227
Energy: 1.2482493917410376
Energy: 1.2061568515846197
Energy: 1.2053211822004986
Energy: 1.4248388368081046
Energy: 1.2053211821993577
Energy: 1.3127284908760006
Energy: 1.1793307639859456
Energy: 1.2162457476625113
Energy: 1.1793307639859456
Energy: 1.4660031876696829
Energy: 1.1754438134193013
Energy: 1.2096356147429068
Energy: 1.1754438134215828
Energy: 1.1822577341871594
Energy: 1.1586002514955416
Energy: 1.4337520786173026
Energy: 1.1586002514955416
Energy: 1.158531373200087
Energy: 1.1465059797832102
Energy: 1.2139239251158644
Energy: 1.1465059797843509

minimum gb energy = 1.142906138197819 eV
minimum distance =  2.25583581691383 Angstroms
sigma value = 73


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

Energy: 1.2615937612348294
Energy: 1.2681808586774939
Energy: 1.4333140143773369
Energy: 1.2681808586774939
Energy: 1.247229664961282
Energy: 1.2855591048280255
Energy: 1.203324026660373
Energy: 1.2855591048276758
Energy: 1.2547890080207513
Energy: 1.2024642278666444
Energy: 1.2197952525974496
Energy: 1.2024642278664592
Energy: 1.2536255805220968
Energy: 1.1558411139801374
Energy: 1.2033604360865604
Energy: 1.1558411139801374
Energy: 1.3936489274198414
Energy: 1.155855100749849
Energy: 1.2609204769898763
Energy: 1.1558551007493143
Energy: 1.592333118834946
Energy: 1.2806653236499903
Energy: 1.148981849884455
Energy: 1.2806653236503398
Energy: 1.1567154234468584
Energy: 1.218861265806017
Energy: 1.2615878193815016
Energy: 1.2188612658058318
Energy: 1.1577761150506145
Energy: 1.1559516657508115
Energy: 1.3200946304022743
Energy: 1.1559516657508115
Energy: 1.313197357221645
Energy: 1.2028008485613455
Energy: 1.3147375297354396
Energy: 1.2028008485615305
Energy: 1.1567554831693823
Energy: 1.202577724802404
Energy: 1.3263458030777722
Energy: 1.2025777248027743
Energy: 1.1558200395329037
Energy: 1.1560621101498545
Energy: 1.5675573720200182
Energy: 1.1560621101503894
Energy: 1.3137703840429804
Energy: 1.1564037135723777
Energy: 1.260928394881553
Energy: 1.1564037135725629
Energy: 1.39366661635833
Energy: 1.2806808547359474
Energy: 1.14769083009769
Energy: 1.2806808547357622
Energy: 1.2482517100522228
Energy: 1.2472002157318023
Energy: 1.5254083806486785
Energy: 1.2472002157323576
Energy: 1.2521912466836407
Energy: 1.156568866292956
Energy: 1.2030653578356771
Energy: 1.156568866292956
Energy: 1.2834754541485598
Energy: 1.203074174456328
Energy: 1.220732298815091
Energy: 1.203074174456328
Energy: 1.247321780788149
Energy: 1.1483114699981163
Energy: 1.3994818189932778
Energy: 1.1483114699961212
Energy: 1.2497820610965313
Energy: 1.147963609723364
Energy: 1.4001603389550694
Energy: 1.147963609723179
Energy: 1.4259524708225904
Energy: 1.2030585432205272
Energy: 1.202994856122232
Energy: 1.2030585432203422
Energy: 1.259203675029389
Energy: 1.2607811191335068
Energy: 1.2206094797504112
Energy: 1.2607811191335068
Energy: 1.256649607282488
Energy: 1.247588194960589
Energy: 1.5466544641089637
Energy: 1.2475881949600336
Energy: 1.3934613694273779
Energy: 1.1558449090105611
Energy: 1.1476954746553354
Energy: 1.1558449090103762

minimum gb energy = 1.14769083009769 eV
minimum distance =  2.2593275903768 Angstroms
sigma value = 7


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

Energy: 1.320917497876445
Energy: 1.299629353210716
Energy: 1.3268872321729241
Energy: 1.299629353210716
Energy: 1.2901268030562236
Energy: 1.281329127000312
Energy: 1.2887123688266284
Energy: 1.281329127000312
Energy: 1.266758159388889
Energy: 1.1910020581540712
Energy: 1.1917400997119494
Energy: 1.1910020581540712
Energy: 1.3369641973644693
Energy: 1.1563631318365002
Energy: 1.2650032616210927
Energy: 1.1563631318352205
Energy: 1.4070659644484584
Energy: 1.1914415891730012
Energy: 1.1557086707347433
Energy: 1.1914415891742807
Energy: 1.703941633659406
Energy: 1.1559585760254327
Energy: 1.1596064630337553
Energy: 1.1559585760254327
Energy: 1.2317038588717806
Energy: 1.347327174262479
Energy: 1.3335098139283703
Energy: 1.347327174263759
Energy: 1.1596344146564357
Energy: 1.15614314728668
Energy: 1.4027747891822415
Energy: 1.15614314728668
Energy: 1.332618422769341
Energy: 1.192616253065254
Energy: 1.2653722316777425
Energy: 1.192616253065254
Energy: 1.1914463343621544
Energy: 1.1565711250576711
Energy: 1.3380544876261535
Energy: 1.1565711250576711
Energy: 1.191247434910267
Energy: 1.1922675807153724
Energy: 1.2791824841651895
Energy: 1.1922675807153724
Energy: 1.4276122209389566
Energy: 1.156601283960411
Energy: 1.2932300603242979
Energy: 1.156601283960411
Energy: 1.4287511583248496
Energy: 1.1569361448982154
Energy: 1.2901772964312672
Energy: 1.1569361448982154
Energy: 1.1917643552767978
Energy: 1.1927469099540984
Energy: 1.4939654891671414
Energy: 1.1927469099553782
Energy: 1.191133673041321
Energy: 1.1588435559247507
Energy: 1.3303477302549551
Energy: 1.1588435559247507
Energy: 1.3327071286101178
Energy: 1.2806047380905852
Energy: 1.2663447154837564
Energy: 1.2806047380905852
Energy: 1.1554351340314075
Energy: 1.157334579992731
Energy: 1.4025120221284835
Energy: 1.157334579992731
Energy: 1.1560747692497304
Energy: 1.19332527387138
Energy: 1.3334120096530524
Energy: 1.19332527387138
Energy: 1.7065387179396132
Energy: 1.1568038802568403
Energy: 1.1556472646633194
Energy: 1.1568038802568403
Energy: 1.4029496359993625
Energy: 1.1916825297288003
Energy: 1.1555181014131937
Energy: 1.1916825297288003
Energy: 1.3319932256864722
Energy: 1.3185387781391733
Energy: 1.2790511522626635
Energy: 1.3185387781391733
Energy: 1.3290240505861033
Energy: 1.1917284285164722
Energy: 1.1957447101156933
Energy: 1.1917284285164722
Energy: 1.2901589198943733
Energy: 1.2886432651997615
Energy: 1.2649577130252876
Energy: 1.2886432651997615
Energy: 1.2939642405219847
Energy: 1.3024506011343047
Energy: 1.4281753616577255
Energy: 1.3024506011343047
Energy: 1.2901919236136499
Energy: 1.1566518387397402
Energy: 1.2855218723576742
Energy: 1.1566518387384603
Energy: 1.2793996955043614
Energy: 1.191622775345385
Energy: 1.1958172780209118
Energy: 1.191622775345385
Energy: 1.3345937813582565
Energy: 1.1561045325195336
Energy: 1.1914220338307986
Energy: 1.1561045325195336
Energy: 1.4034726672952849
Energy: 1.1917842388367146
Energy: 1.3324559921998391
Energy: 1.1917842388367146
Energy: 1.4083516731726409
Energy: 1.1556540836516058
Energy: 1.1557843337336933
Energy: 1.155654083650326
Energy: 1.3329155299914617
Energy: 1.3449580657429263
Energy: 1.3331168391878574
Energy: 1.3449580657429263
Energy: 1.1557705918398211
Energy: 1.1556471870259895
Energy: 1.4083516731726409
Energy: 1.1556471870259895

minimum gb energy = 1.1554351340314075 eV
minimum distance =  2.2761880815114 Angstroms
sigma value = 29


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

Energy: 1.1097546977839194
Energy: 1.286654148265781
Energy: 1.3465173628115117
Energy: 1.286654148265781
Energy: 1.3431812049209904
Energy: 1.1820408649943854
Energy: 1.1693961682706884
Energy: 1.1820408649943854
Energy: 1.346259098595602
Energy: 1.1335872884275573
Energy: 1.1339919433877261
Energy: 1.1335872884275573
Energy: 1.3877276996957728
Energy: 1.1710673976935786
Energy: 1.1343559533729946
Energy: 1.1710673976940247
Energy: 1.3881219588097704
Energy: 1.171119667081164
Energy: 1.1340193113860584
Energy: 1.171119667081164
Energy: 1.3742989578614941
Energy: 1.1353878858138626
Energy: 1.1338772944430215
Energy: 1.1353878858138626
Energy: 1.3450027901120984
Energy: 1.1338077762757555
Energy: 1.3460989747224297
Energy: 1.133807776276201
Energy: 1.1083638428830986
Energy: 1.1344890641584657
Energy: 1.7471957529932127
Energy: 1.1344890641584657
Energy: 1.3438829982190388
Energy: 1.1696896137033337
Energy: 1.1694651238893863
Energy: 1.1696896137037547

minimum gb energy = 1.1083638428830986 eV
minimum distance =  2.33904637085923 Angstroms
sigma value = 5


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

Energy: 1.2984589114593832
Energy: 1.1825148381603237
Energy: 1.4352647915051047
Energy: 1.182514838161533
Energy: 1.42368737413794
Energy: 1.1454700184919528
Energy: 1.2715097296665838
Energy: 1.1454700184919528
Energy: 1.1765648667286668
Energy: 1.284384466195483
Energy: 1.2206952144292895
Energy: 1.284384466194274
Energy: 1.176658211194619
Energy: 1.1889026519516561
Energy: 1.2695385319915697
Energy: 1.1889026519516561
Energy: 1.1280928838754574
Energy: 1.2664756453768165
Energy: 1.1688729019148927
Energy: 1.266475645378025
Energy: 1.270927992514456
Energy: 1.2978401155232782
Energy: 1.173476164178704
Energy: 1.2978401155232782
Energy: 1.2617191982677194
Energy: 1.259621819172709
Energy: 1.3017324675153348
Energy: 1.259621819173918
Energy: 1.2618932521676596
Energy: 1.259912016817046
Energy: 1.3840477800881226
Energy: 1.259912016815837
Energy: 1.4451706556405353
Energy: 1.1657437955253311
Energy: 1.2679349601700223
Energy: 1.1657437955253311
Energy: 1.3853626546559314
Energy: 1.1634740379270416
Energy: 1.2675810293086784
Energy: 1.1634740379270416
Energy: 1.2227933383258844
Energy: 1.220852799939863
Energy: 1.2942291734794749
Energy: 1.220852799939863
Energy: 1.2205253692377476
Energy: 1.2786176013264945
Energy: 1.147828946081623
Energy: 1.2786176013277033
Energy: 1.2906102296292812
Energy: 1.2196745180833841
Energy: 1.1468434826970944
Energy: 1.2196745180833841
Energy: 1.163496314432495
Energy: 1.2651147244976841
Energy: 1.146785594835869
Energy: 1.2651147244964753
Energy: 1.191531665006454
Energy: 1.1700403212151316
Energy: 1.3614467131092112
Energy: 1.1700403212151316
Energy: 1.4122880909514766
Energy: 1.1625140019929925
Energy: 1.2667575975891656
Energy: 1.1625140019917832
Energy: 1.3587600280365686
Energy: 1.160273732317173
Energy: 1.3470084754607397
Energy: 1.1602737323159638
Energy: 1.2233981079217409
Energy: 1.2749771060078958
Energy: 1.3840658411433782
Energy: 1.2749771060091049
Energy: 1.262600662106164
Energy: 1.1698002561354357
Energy: 1.2064289461565125
Energy: 1.1698002561354357
Energy: 1.1877674976197479
Energy: 1.2836809911174032
Energy: 1.169876631244294
Energy: 1.2836809911186124
Energy: 1.1906422514942683
Energy: 1.1886055785028138
Energy: 1.239531632455634
Energy: 1.1886055785016048
Energy: 1.27460834158397
Energy: 1.266794931978029
Energy: 1.2186137534575838
Energy: 1.266794931978029
Energy: 1.177014153555727
Energy: 1.2675333737164927
Energy: 1.2132434398719587
Energy: 1.2675333737177017
Energy: 1.3388353205402737
Energy: 1.169521999469336
Energy: 1.506189900028842
Energy: 1.169521999469336
Energy: 1.34262137291469
Energy: 1.167874320321738
Energy: 1.5271601046073817
Energy: 1.167874320321738
Energy: 1.3138368917460415
Energy: 1.266652302224271
Energy: 1.2183480547377321
Energy: 1.266652302223062
Energy: 1.1807046514816348
Energy: 1.267273244424542
Energy: 1.213220767385568
Energy: 1.267273244424542
Energy: 1.1879543015948189
Energy: 1.1894289226838248
Energy: 1.3217618752384503
Energy: 1.189428922682616
Energy: 1.1906138819082304
Energy: 1.2666487248221736
Energy: 1.1688542016864925
Energy: 1.2666487248221736
Energy: 1.3751524930315013
Energy: 1.2570771590027556
Energy: 1.2108648407041935
Energy: 1.2570771590027556
Energy: 1.2616052351500076
Energy: 1.215205077363525
Energy: 1.3007038292888442
Energy: 1.2152050773647338
Energy: 1.263889000509224
Energy: 1.14526508152268
Energy: 1.4524524485534231
Energy: 1.145265081520262
Energy: 1.5058601312396935
Energy: 1.162071449808552
Energy: 1.2665968808499661
Energy: 1.1620714498097608

minimum gb energy = 1.1280928838754574 eV
minimum distance =  2.26074186307816 Angstroms
sigma value = 1


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

Energy: 1.202517546132007
Energy: 1.215991860934686
Energy: 1.3317434328114997
Energy: 1.215991860934686
Energy: 1.146491790856067
Energy: 1.1584606121319705
Energy: 1.170785622739731
Energy: 1.158460612130299
Energy: 1.2397126402042187
Energy: 1.2471236942856538
Energy: 1.2771837997627842
Energy: 1.2471236942873254
Energy: 1.1704328712011554
Energy: 1.2510328697539683
Energy: 1.2148090899611406
Energy: 1.2510328697539683
Energy: 1.0865788683608018
Energy: 1.2203442428838063
Energy: 1.0866379444955765
Energy: 1.2203442428838063
Energy: 1.0868047779501306
Energy: 1.0866560502892804
Energy: 1.0865032441225073
Energy: 1.0866560502892804
Energy: 1.215361971938156
Energy: 1.246846621176418
Energy: 1.2393431921786617
Energy: 1.246846621176418
Energy: 1.215425330882528
Energy: 1.2464144139370446
Energy: 1.2400729412165798
Energy: 1.246414413938716
Energy: 1.3741054212128883
Energy: 1.2189206370582173
Energy: 1.1876520260619823
Energy: 1.2189206370582173
Energy: 1.3741054212145596
Energy: 1.2189326300084276
Energy: 1.1876980806806325
Energy: 1.2189326300084276
Energy: 1.215438841976048
Energy: 1.2464285644149327
Energy: 1.2400729412165798
Energy: 1.2464285644149327
Energy: 1.2154675217696673
Energy: 1.246820507021694
Energy: 1.2393431921786617
Energy: 1.246820507021694
Energy: 1.0868090470561942
Energy: 1.0866568194832027
Energy: 1.0864998510103054
Energy: 1.0866568194832027
Energy: 1.086587557616166
Energy: 1.2203171341179986
Energy: 1.0866441265602134
Energy: 1.2203171341179986
Energy: 1.17041065373029
Energy: 1.2510064891349224
Energy: 1.2147788864539348
Energy: 1.2510064891349224
Energy: 1.2397126402042187
Energy: 1.2471193991659086
Energy: 1.2771726297113628
Energy: 1.2471193991659086
Energy: 1.1464905883759213
Energy: 1.1584751737467964
Energy: 1.1707851627280321
Energy: 1.1584751737467964
Energy: 1.202517546132007
Energy: 1.215991860934686
Energy: 1.331743418858988
Energy: 1.215991860934686
Energy: 1.146491790856067
Energy: 1.158460612130299
Energy: 1.170785622739731
Energy: 1.158460612130299
Energy: 1.2397126402042187
Energy: 1.2471236942873254
Energy: 1.2771837997627842
Energy: 1.2471236942873254
Energy: 1.170432871202827
Energy: 1.2510328697539683
Energy: 1.2148090899611406
Energy: 1.2510328697539683
Energy: 1.0865788683608018
Energy: 1.2203442428838063
Energy: 1.0866379444955765
Energy: 1.2203442428838063
Energy: 1.0868047779501306
Energy: 1.0866560502892804
Energy: 1.0865032441225073
Energy: 1.0866560502892804
Energy: 1.215361971938156
Energy: 1.246846621176418
Energy: 1.2393431921786617
Energy: 1.246846621176418

minimum gb energy = 1.0864998510103054 eV
minimum distance =  2.27825374046377 Angstroms
sigma value = 17


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

Energy: 1.3241176574670745
Energy: 1.1483953352178684
Energy: 1.5602840539615905
Energy: 1.1483953352168352
Energy: 1.1995126156649107
Energy: 1.1017463419076252
Energy: 1.2193549125940204
Energy: 1.1017463419076252
Energy: 1.13031419327833
Energy: 1.2219134811785937
Energy: 1.1858805157408614
Energy: 1.2219134811796268
Energy: 1.1175978484690947
Energy: 1.1189986575105844
Energy: 1.3050421709387956
Energy: 1.1189986575116175
Energy: 1.1440263030623294
Energy: 1.2194324610304552
Energy: 1.1556425282506557
Energy: 1.2194324610314882
Energy: 1.1940643146417556
Energy: 1.152742398912812
Energy: 1.1576096502050828
Energy: 1.1527423989117787
Energy: 1.1742891983047414
Energy: 1.2260083090892733
Energy: 1.1098890350458595
Energy: 1.2260083090892733
Energy: 1.1754121415373844
Energy: 1.226602782590878
Energy: 1.1374017485735974
Energy: 1.226602782590878
Energy: 1.1765585048514078
Energy: 1.1410356451211332
Energy: 1.296791050128749
Energy: 1.1410356451201003
Energy: 1.173741887377552
Energy: 1.140171179738686
Energy: 1.2944309982160163
Energy: 1.1401711797397194
Energy: 1.2364769893989433
Energy: 1.1381016581084464
Energy: 1.3261692323021061
Energy: 1.1381016581074135
Energy: 1.2360016211465474
Energy: 1.1377784508153788
Energy: 1.1469079280907781
Energy: 1.1377784508143458
Energy: 1.173570927414628
Energy: 1.2315641009427944
Energy: 1.1803372221639887
Energy: 1.2315641009427944
Energy: 1.1175329188116603
Energy: 1.2195924899531592
Energy: 1.181493001254114
Energy: 1.2195924899521262
Energy: 1.1231124191101745
Energy: 1.2405760095697689
Energy: 1.1803655487045226
Energy: 1.240576009570802
Energy: 1.1166455349892095
Energy: 1.2255581406751248
Energy: 1.1373804846656677
Energy: 1.2255581406751248
Energy: 1.2978694067444583
Energy: 1.1047114443464738
Energy: 1.1577467942151791
Energy: 1.1047114443464738
Energy: 1.2357516677993305
Energy: 1.2239663837175472
Energy: 1.3334356806412706
Energy: 1.2239663837175472
Energy: 1.2090085573747282
Energy: 1.173772051825513
Energy: 1.1054423762177223
Energy: 1.1737720518265462
Energy: 1.4578535461931186
Energy: 1.1944235915403585
Energy: 1.2458551822618757
Energy: 1.1944235915413919
Energy: 1.1811865816653304
Energy: 1.2010501272250504
Energy: 1.3182925577343056
Energy: 1.2010501272250504
Energy: 1.1809134588486607
Energy: 1.2188981116172837
Energy: 1.1174768856633956
Energy: 1.2188981116172837
Energy: 1.2584570808927937
Energy: 1.1530084326704015
Energy: 1.1590635647340048
Energy: 1.1530084326704015
Energy: 1.1397430852560018
Energy: 1.2251191745536547
Energy: 1.1040685850720897
Energy: 1.2251191745546877
Energy: 1.1454391052038928
Energy: 1.2301460903098078
Energy: 1.2152533065067583
Energy: 1.2301460903098078
Energy: 1.1308506309602773
Energy: 1.2191115994280939
Energy: 1.1773430943606886
Energy: 1.2191115994280939
Energy: 1.1402187060138944
Energy: 1.2191702641843416
Energy: 1.23384234799863
Energy: 1.2191702641843416
Energy: 1.3079216364930204
Energy: 1.1021867722964984
Energy: 1.2152668200157504
Energy: 1.1021867722975314
Energy: 1.30282489396448
Energy: 1.1020604517067685
Energy: 1.2154432887214082
Energy: 1.1020604517057355
Energy: 1.129787842482987
Energy: 1.2192101831655315
Energy: 1.1775122537896554
Energy: 1.2192101831655315
Energy: 1.1328148093787052
Energy: 1.2191779566674257
Energy: 1.2337460690327116
Energy: 1.2191779566684589
Energy: 1.1398723407950893
Energy: 1.240172729201928
Energy: 1.1521618220244545
Energy: 1.240172729201928
Energy: 1.1466214041324412
Energy: 1.2254729031606313
Energy: 1.1035821419729717
Energy: 1.2254729031616645
Energy: 1.2584055373665346
Energy: 1.2254042904098665
Energy: 1.1168157712357833
Energy: 1.2254042904108997
Energy: 1.1798790743987264
Energy: 1.2185746332896528
Energy: 1.1375329939367052
Energy: 1.218574633290686
Energy: 1.2143999641760692
Energy: 1.098879731415273
Energy: 1.3024258525768033
Energy: 1.09887973141424
Energy: 1.493013998204625
Energy: 1.14262835111333
Energy: 1.245353370172862
Energy: 1.14262835111333
Energy: 1.2145938841846455
Energy: 1.1175579070626114
Energy: 1.1966756050388476
Energy: 1.1175579070626114

minimum gb energy = 1.09887973141424 eV
minimum distance =  2.27010864030667 Angstroms
sigma value = 89


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

Energy: 1.2482569875367149
Energy: 1.123167976866286
Energy: 1.3582237983348815
Energy: 1.1231679768657332
Energy: 1.1254489222734654
Energy: 1.1641798320277863
Energy: 1.1438777639342421
Energy: 1.1641798320277863
Energy: 1.1852222685135783
Energy: 1.1171588409819146
Energy: 1.0725569580239889
Energy: 1.1171588409819146
Energy: 1.1066231196032463
Energy: 1.0898505885327325
Energy: 1.2314152688704045
Energy: 1.0898505885327325
Energy: 1.0989956632735962
Energy: 1.143752168609004
Energy: 1.0687444280374438
Energy: 1.1437521686092806
Energy: 1.0896926077590408
Energy: 1.211895429899532
Energy: 1.068774730265751
Energy: 1.2118954299000848
Energy: 1.0900145510806094
Energy: 1.1174706596591368
Energy: 1.0687245540545958
Energy: 1.1174706596591368
Energy: 1.0896741710673035
Energy: 1.0903855520733179
Energy: 1.2114572370759225
Energy: 1.0903855520730417
Energy: 1.1858219444027895
Energy: 1.1442824010534707
Energy: 1.06478334316938
Energy: 1.1442824010531942
Energy: 1.089843670421129
Energy: 1.1441360230991207
Energy: 1.0645958271589695
Energy: 1.1441360230996738
Energy: 1.209247146283437
Energy: 1.117827044322128
Energy: 1.2112402933337192
Energy: 1.1178270443224045
Energy: 1.2112680989601974
Energy: 1.1179831145214056
Energy: 1.2118349134400632
Energy: 1.1179831145208834
Energy: 1.1852935802573625
Energy: 1.1442238473246997
Energy: 1.0650730148537777
Energy: 1.1442238473246997
Energy: 1.1852739533440069
Energy: 1.145011438494778
Energy: 1.0645174408105262
Energy: 1.1450114384945016
Energy: 1.0897970807527038
Energy: 1.090899955598678
Energy: 1.211789353255938
Energy: 1.090899955599231

minimum gb energy = 1.0645174408105262 eV
minimum distance =  2.26531943045215 Angstroms
sigma value = 13


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

Energy: 1.1126726847032875
Energy: 1.0756900585243085
Energy: 1.258197701894788
Energy: 1.0756900585243085
Energy: 1.0520144572630856
Energy: 1.0979826011642222
Energy: 1.0518708060701067
Energy: 1.0979826011630889
Energy: 1.1107738004894157
Energy: 1.0506599967906112
Energy: 1.0866184153686402
Energy: 1.0506599967906112
Energy: 1.0679464947860124
Energy: 1.1021609933414276
Energy: 1.0518687249967635
Energy: 1.1021609933402947
Energy: 1.0228996604945222
Energy: 1.0647375116442082
Energy: 1.0529124244734054
Energy: 1.064737511643075
Energy: 1.1136374682962489
Energy: 1.0917154280226307
Energy: 1.0705528087372547
Energy: 1.0917154280226307
Energy: 1.0324184382256436
Energy: 1.051064025324275
Energy: 1.0362171145710843
Energy: 1.0510640253231418
Energy: 1.0327489702790613
Energy: 1.034037835883537
Energy: 1.032469702611156
Energy: 1.034037835883537
Energy: 1.0472301454445248
Energy: 1.0645689281182702
Energy: 1.0187179077012543
Energy: 1.0645689281194033
Energy: 1.093980789493944
Energy: 1.0641353453415439
Energy: 1.0870324131568396
Energy: 1.0641353453415439
Energy: 1.0736921694885544
Energy: 1.051002188894604
Energy: 1.105445461387126
Energy: 1.051002188894604
Energy: 1.0687654113669827
Energy: 1.0736998053160756
Energy: 1.0322656386434632
Energy: 1.0736998053160756
Energy: 1.0902862830155613
Energy: 1.0219274659446658
Energy: 1.0985047190372412
Energy: 1.021927465943533
Energy: 1.094630331494025
Energy: 1.0493622754219325
Energy: 1.183290046632527
Energy: 1.0493622754219325
Energy: 1.074093761857681
Energy: 1.0510764705820235
Energy: 1.1040972953970953
Energy: 1.0510764705820235
Energy: 1.0687090810846755
Energy: 1.073933659565395
Energy: 1.110670246813679
Energy: 1.073933659565395
Energy: 1.090179186677372
Energy: 1.0645551876625134
Energy: 1.0189298963547038
Energy: 1.0645551876625134
Energy: 1.0531011653480788
Energy: 1.0646471914660762
Energy: 1.0872873598888666
Energy: 1.0646471914660762
Energy: 1.0322086100268155
Energy: 1.051300481033054
Energy: 1.0320004870116941
Energy: 1.051300481031921
Energy: 1.0319685232970257
Energy: 1.0514147247241297
Energy: 1.0321824006350875
Energy: 1.0514147247241297
Energy: 1.087288745468148
Energy: 1.064664854434224
Energy: 1.0531055511867624
Energy: 1.064664854434224
Energy: 1.0190787109027304
Energy: 1.0645172194153856
Energy: 1.0901791866807709
Energy: 1.0645172194153856
Energy: 1.110670246814812
Energy: 1.074084247573145
Energy: 1.068697517571585
Energy: 1.0740842475720118
Energy: 1.1040972953936963
Energy: 1.0510689411911687
Energy: 1.0740617222475146
Energy: 1.0510689411911687
Energy: 1.1841276427357805
Energy: 1.0492868740521246
Energy: 1.0945779436594631
Energy: 1.0492868740521246
Energy: 1.0990099044443018
Energy: 1.0219219226830814
Energy: 1.0902862830155613
Energy: 1.0219219226830814
Energy: 1.0323130514301753
Energy: 1.0733687473227778
Energy: 1.0690304130243165
Energy: 1.0733687473239109
Energy: 1.1054454613859932
Energy: 1.05077543718866
Energy: 1.0743865009236353
Energy: 1.05077543718866
Energy: 1.0869935081902606
Energy: 1.0641759206980972
Energy: 1.0681113727872813
Energy: 1.0641759206980972
Energy: 1.0186943206850556
Energy: 1.0645546785990914
Energy: 1.0471593584254397
Energy: 1.0645546786002245
Energy: 1.032518052917991
Energy: 1.0334856533650834
Energy: 1.032541876053196
Energy: 1.0334856533650834
Energy: 1.0362429426440418
Energy: 1.0510396645516258
Energy: 1.0323964484944506
Energy: 1.0510396645516258
Energy: 1.0708103225652916
Energy: 1.091650855976734
Energy: 1.113629353546834
Energy: 1.091650855976734
Energy: 1.0531541245141363
Energy: 1.064731691558247
Energy: 1.0227054598697929
Energy: 1.0647316915593799
Energy: 1.0520300023268163
Energy: 1.1025276714451409
Energy: 1.0677129647786963
Energy: 1.1025276714451409

minimum gb energy = 1.0186943206850556 eV
minimum distance =  2.27583365997498 Angstroms
sigma value = 37


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

Energy: 1.1360477282903627
Energy: 1.0121351678883235
Energy: 1.2274379162693014
Energy: 1.0121351678879467
Energy: 0.9919846054246584
Energy: 1.1040570342664016
Energy: 1.015605821186871
Energy: 1.104057034266601
Energy: 1.1014239910249028
Energy: 0.9802304903612883
Energy: 1.0641143797533839
Energy: 0.9802304903612883
Energy: 1.0279518333305293
Energy: 1.0834481082872387
Energy: 1.015681289563502
Energy: 1.0834481082870613
Energy: 1.0019866229396939
Energy: 0.9802303536601423
Energy: 1.0719912000709662
Energy: 0.9802303536603196
Energy: 1.0778709251529688
Energy: 1.0221991426312524
Energy: 1.020747099175788
Energy: 1.0221991426314518
Energy: 0.9910943172613994
Energy: 0.9808854282093891
Energy: 0.9921959317120767
Energy: 0.9808854282095886
Energy: 0.991334218385
Energy: 1.0926420273074064
Energy: 1.010870536869785
Energy: 1.0926420273074064
Energy: 0.9943597799744527
Energy: 0.9800568449832987
Energy: 1.01035588739073
Energy: 0.980056844982922
Energy: 1.029300990592737
Energy: 1.0222605488428151
Energy: 1.0109333749717855
Energy: 1.0222605488424388
Energy: 0.9848896421874227
Energy: 0.980609010040643
Energy: 1.0406020192807761
Energy: 0.980609010040643
Energy: 0.9886869959220593
Energy: 1.002171602164692
Energy: 1.012483539706433
Energy: 1.0021716021650908
Energy: 1.102443562328915
Energy: 0.9803131454427083
Energy: 1.0616873767447756
Energy: 0.980313145442332
Energy: 0.9921253083017801
Energy: 0.9807891660398289
Energy: 1.0622252695538215
Energy: 0.9807891660398289
Energy: 1.000300572144743
Energy: 1.0134365271106247
Energy: 1.0695761090594347
Energy: 1.0134365271112007
Energy: 0.9999213724975952
Energy: 0.9692777105417989
Energy: 1.0160492649008803
Energy: 0.9692777105416216
Energy: 1.1013477861051129
Energy: 0.9805761757094107
Energy: 1.0617141015401772
Energy: 0.9805761757096102
Energy: 1.0278070448006213
Energy: 0.9808811400513854
Energy: 1.0622820624185036
Energy: 0.980881140051186
Energy: 0.9851891955857236
Energy: 0.9806636150247209
Energy: 1.069686277143417
Energy: 0.9806636150245214
Energy: 0.9885929147261552
Energy: 1.0020147399972794
Energy: 1.069752574913423
Energy: 1.0020147399976558

minimum gb energy = 0.9692777105416216 eV
minimum distance =  2.29071442869166 Angstroms
sigma value = 25


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

Energy: 1.041987959994435
Energy: 0.9179207180426043
Energy: 1.0977394500451831
Energy: 0.9179207180426043
Energy: 0.9570090603869621
Energy: 1.0089756541144674
Energy: 0.9407137746522588
Energy: 1.0089756541144674
Energy: 1.003680229831358
Energy: 0.8990645911588435
Energy: 1.0314236988974554
Energy: 0.8990645911588435
Energy: 0.9450747343509082
Energy: 1.0190808608336845
Energy: 0.9404433224239535
Energy: 1.0190808608336845
Energy: 0.963379114875813
Energy: 0.8836423722462247
Energy: 0.9652354134472151
Energy: 0.8836423722462247
Energy: 0.9449481325781295
Energy: 0.997902951852675
Energy: 0.9577059771715775
Energy: 0.997902951852675
Energy: 0.9219291929633006
Energy: 0.8836976982092737
Energy: 0.9523413382286839
Energy: 0.8836976982092737
Energy: 0.9549829270451791
Energy: 0.9372759084004217
Energy: 0.9574832857014451
Energy: 0.9372759084004217
Energy: 0.9094235882711962
Energy: 0.8838030086134421
Energy: 0.9190157388002835
Energy: 0.8838030086134421
Energy: 0.9553001014463108
Energy: 0.9354975494480559
Energy: 0.9184341412051769
Energy: 0.9354975494495779
Energy: 0.9038478160132795
Energy: 0.8837936607869369
Energy: 0.9247801490738731
Energy: 0.8837936607854145
Energy: 0.945456861896812
Energy: 0.9370441702088026
Energy: 0.946135251362529
Energy: 0.9370441702103247
Energy: 0.9238645682451696
Energy: 0.8837585810450741
Energy: 0.9329615739016539
Energy: 0.8837585810450741
Energy: 0.9503088652678131
Energy: 0.8960058738080146
Energy: 0.9245570189026722
Energy: 0.8960058738080146
Energy: 0.9179983197620751
Energy: 0.8838246471083014
Energy: 0.967098327035121
Energy: 0.8838246471067793
Energy: 0.9036493928464613
Energy: 0.8840477062824715
Energy: 0.9411928831277677
Energy: 0.8840477062824715
Energy: 1.0007487439359353
Energy: 0.899016076951104
Energy: 0.9245752486052587
Energy: 0.899016076951104
Energy: 0.9229417986386569
Energy: 0.9185259509956593
Energy: 0.9246947859321223
Energy: 0.9185259509971814
Energy: 0.9572020606813036
Energy: 0.9185158230820623
Energy: 0.9641868601410855
Energy: 0.9185158230820623
Energy: 0.9570018512727961
Energy: 0.9249534895481362
Energy: 0.9402666894570221
Energy: 0.9249534895481362
Energy: 1.0005242315778575
Energy: 0.8986333216370764
Energy: 0.9247583371972483
Energy: 0.8986333216370764
Energy: 0.9487371148981594
Energy: 0.9112432316095159
Energy: 0.9268575675612678
Energy: 0.911243231611038
Energy: 0.9182510391705951
Energy: 0.8838098041378095
Energy: 0.9642263454528237
Energy: 0.8838098041378095
Energy: 0.9427787602759007
Energy: 0.8837269494638289
Energy: 0.9451976205426615
Energy: 0.8837269494638289
Energy: 0.9217559748521842
Energy: 0.8840135120972562
Energy: 0.9329058589599505
Energy: 0.8840135120972562
Energy: 0.9640708739793956
Energy: 0.8952422144088624
Energy: 0.9247234791669467
Energy: 0.8952422144088624

minimum gb energy = 0.8836423722462247 eV
minimum distance =  2.30187395297414 Angstroms
sigma value = 41


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

Energy: 0.9838563568528392
Energy: 0.8507431772588876
Energy: 1.0022121941572233
Energy: 0.8507431772588876
Energy: 0.862111361887611
Energy: 0.9433976646205662
Energy: 0.8859296500760624
Energy: 0.9433976646218142
Energy: 0.9258598196922689
Energy: 0.8278836790897944
Energy: 0.9443939227545634
Energy: 0.8278836790885465
Energy: 0.8719404578140022
Energy: 0.8520218072474753
Energy: 0.8859986329355676
Energy: 0.8520218072474753
Energy: 0.9273298490887866
Energy: 0.8174778787689257
Energy: 0.8896956095406013
Energy: 0.8174778787689257
Energy: 0.8722010738452064
Energy: 0.8456497960123283
Energy: 0.8783990060914364
Energy: 0.8456497960123283
Energy: 0.8800382956876023
Energy: 0.8093420052063663
Energy: 0.9111635846960356
Energy: 0.8093420052063663
Energy: 0.8855830803096696
Energy: 0.8716164825585654
Energy: 0.8785020391026725
Energy: 0.8716164825573175
Energy: 0.9069043422439224
Energy: 0.8093852880434352
Energy: 0.8537342707767275
Energy: 0.8093852880434352
Energy: 0.8858941996335483
Energy: 0.9026696546456737
Energy: 0.8856056809857815
Energy: 0.902669654644426
Energy: 0.8750180172450815
Energy: 0.809422311610289
Energy: 0.8693066353007214
Energy: 0.809422311610289
Energy: 0.8763525065040398
Energy: 0.9250703784336332
Energy: 0.8858182065941594
Energy: 0.9250703784348812
Energy: 0.8795375289747022
Energy: 0.8092561469828499
Energy: 0.8647194109403317
Energy: 0.8092561469828499
Energy: 0.8846782972387175
Energy: 0.8593099287482807
Energy: 0.8738453238416416
Energy: 0.8593099287482807
Energy: 0.8602566764673855
Energy: 0.8092869475997883
Energy: 0.8577316419453358
Energy: 0.8092869475997883
Energy: 0.8590021209253944
Energy: 0.8167655117542129
Energy: 0.8796693518711399
Energy: 0.8167655117554607
Energy: 0.8843518799503154
Energy: 0.8093000105561082
Energy: 0.8613711645086671
Energy: 0.8093000105561082
Energy: 0.8817315951430238
Energy: 0.857922702305659
Energy: 0.8767471972192008
Energy: 0.857922702305659
Energy: 0.858554304140801
Energy: 0.8170422174432641
Energy: 0.8911582613429007
Energy: 0.8170422174432641
Energy: 0.8903373087510544
Energy: 0.8431793162847221
Energy: 0.8584468210325976
Energy: 0.8431793162847221
Energy: 0.9230436154104483
Energy: 0.8279490853819461
Energy: 0.8752369758458519
Energy: 0.8279490853819461
Energy: 0.8610735919743834
Energy: 0.8622705816416647
Energy: 0.8859921715934076
Energy: 0.8622705816404168
Energy: 0.8805362202336161
Energy: 0.8512971625322271
Energy: 0.8935342346240832
Energy: 0.851297162533475
Energy: 0.9094681490304947
Energy: 0.8619832685361171
Energy: 0.8582750672836177
Energy: 0.8619832685361171
Energy: 0.9232307384905548
Energy: 0.8282911217528784
Energy: 0.875211599021735
Energy: 0.8282911217528784
Energy: 0.8817301449316599
Energy: 0.8524673897336958
Energy: 0.8862381168692972
Energy: 0.8524673897336958
Energy: 0.8585660498993808
Energy: 0.8171716855327802
Energy: 0.8940175657849381
Energy: 0.8171716855327802
Energy: 0.8899717620753157
Energy: 0.8487679634852416
Energy: 0.8783810640720323
Energy: 0.8487679634852416
Energy: 0.8802791500172156
Energy: 0.8091603774358306
Energy: 0.8613897987057665
Energy: 0.8091603774358306
Energy: 0.8842540691069324
Energy: 0.8088330677888165
Energy: 0.8821542474129084
Energy: 0.8088330677888165
Energy: 0.8606848501089732
Energy: 0.8093414688820558
Energy: 0.8545712351734397
Energy: 0.8093414688820558
Energy: 0.8775490965830182
Energy: 0.8161345940273089
Energy: 0.9013543424104988
Energy: 0.8161345940273089

minimum gb energy = 0.8088330677888165 eV
minimum distance =  2.30621880686535 Angstroms
sigma value = 15


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

Energy: 0.9175206494728068
Energy: 0.7894228576520398
Energy: 0.9281258324826498
Energy: 0.7894228576509826
Energy: 0.8430667650141623
Energy: 0.884851214767423
Energy: 0.8241942707862462
Energy: 0.8848512147663659
Energy: 0.8619319273667445
Energy: 0.7782478913811521
Energy: 0.895944049570406
Energy: 0.7782478913832664
Energy: 0.8337207261397047
Energy: 0.8749940848415128
Energy: 0.8242225826370503
Energy: 0.8749940848425699
Energy: 0.8764930538561917
Energy: 0.7643112679012802
Energy: 0.830230280089205
Energy: 0.7643112679012802
Energy: 0.83150038425743
Energy: 0.7945005711945545
Energy: 0.8271448969403414
Energy: 0.7945005711924401
Energy: 0.8186576401031413
Energy: 0.7539912395156665
Energy: 0.854957345750031
Energy: 0.7539912395167238
Energy: 0.8247493443495701
Energy: 0.7923347291342633
Energy: 0.8269761488006558
Energy: 0.7923347291332062
Energy: 0.8459140266008475
Energy: 0.7495289420165993
Energy: 0.8018850884437383
Energy: 0.749528942014485
Energy: 0.824616084175259
Energy: 0.8177146769834758
Energy: 0.829403498022428
Energy: 0.8177146769845329
Energy: 0.8141308096339748
Energy: 0.7495554621037406
Energy: 0.8367522618363249
Energy: 0.7495554621037406
Energy: 0.8300603352844497
Energy: 0.8371910830147978
Energy: 0.829729984915529
Energy: 0.8371910830126834
Energy: 0.8345805411477903
Energy: 0.7498139904122498
Energy: 0.8072054550084804
Energy: 0.7498139904101355
Energy: 0.8303666173294195
Energy: 0.8413080272801743
Energy: 0.8179380928719268
Energy: 0.8413080272791171
Energy: 0.831735080436151
Energy: 0.7496841244799684
Energy: 0.8112030049650781
Energy: 0.7496841244810255
Energy: 0.8302407392569341
Energy: 0.7690753771386063
Energy: 0.8282664210494326
Energy: 0.769075377137549
Energy: 0.818471052670675
Energy: 0.7499234508919115
Energy: 0.8342677303745376
Energy: 0.7499234508919115
Energy: 0.8293712626943267
Energy: 0.7553918591792282
Energy: 0.825562496899994
Energy: 0.7553918591802854
Energy: 0.8156939689761241
Energy: 0.750108931535315
Energy: 0.8050508208771212
Energy: 0.750108931535315
Energy: 0.8280002454633609
Energy: 0.7625573876072687
Energy: 0.824055533021314
Energy: 0.7625573876083258
Energy: 0.8220006515683875
Energy: 0.7546356995627658
Energy: 0.8218858121229881
Energy: 0.7546356995627658
Energy: 0.8191439734700243
Energy: 0.7897436406164544
Energy: 0.8320080200003931
Energy: 0.7897436406164544
Energy: 0.8181858184386807
Energy: 0.7616951064031567
Energy: 0.8311082177988579
Energy: 0.7616951064042139
Energy: 0.82662795466918
Energy: 0.7917242327741968
Energy: 0.8369434372961183
Energy: 0.7917242327741968
Energy: 0.8602321715140278
Energy: 0.7764347010188535
Energy: 0.8370600190800078
Energy: 0.7764347010177963
Energy: 0.8100034091405148
Energy: 0.8046613408165098
Energy: 0.8404827402917674
Energy: 0.8046613408165098
Energy: 0.8355007982281748
Energy: 0.790107444628737
Energy: 0.8335525880851545
Energy: 0.7901074446297942
Energy: 0.8429602415845914
Energy: 0.8045709667095075
Energy: 0.8344191322090072
Energy: 0.8045709667095075
Energy: 0.8670066229910401
Energy: 0.7763650305683113
Energy: 0.837321984804407
Energy: 0.7763650305683113
Energy: 0.829297617932086
Energy: 0.7967603276297317
Energy: 0.8405355352337839
Energy: 0.7967603276297317
Energy: 0.8183594303904581
Energy: 0.7616826376638424
Energy: 0.8335185181872263
Energy: 0.7616826376648995
Energy: 0.8267025590562713
Energy: 0.7944004221664785
Energy: 0.8240468049725903
Energy: 0.7944004221654214
Energy: 0.8190743067446383
Energy: 0.7547875249064064
Energy: 0.8218507383341208
Energy: 0.7547875249085207
Energy: 0.8292139108254581
Energy: 0.7913877476524215
Energy: 0.8320089123904102
Energy: 0.7913877476524215
Energy: 0.8156807065154041
Energy: 0.750068895820508
Energy: 0.8149428778809152
Energy: 0.7500688958194508
Energy: 0.8286525486441298
Energy: 0.7618167204389745
Energy: 0.8282619412783943
Energy: 0.7618167204410885
Energy: 0.8119380669168328
Energy: 0.750156711751124
Energy: 0.8340471746901208
Energy: 0.750156711751124

minimum gb energy = 0.749528942014485 eV
minimum distance =  2.31567283426128 Angstroms
sigma value = 85


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

Energy: 0.9369498433350107
Energy: 0.7444378476089346
Energy: 0.8305478189421922
Energy: 0.7444378476080179
Energy: 0.7506312779611137
Energy: 0.8358293703895158
Energy: 0.7788255702413656
Energy: 0.8358293703895158
Energy: 0.7774996346323825
Energy: 0.7392876241289841
Energy: 0.8932787256548237
Energy: 0.7392876241280673
Energy: 0.758893223844792
Energy: 0.8282838927739281
Energy: 0.7788987235602558
Energy: 0.8282838927739281
Energy: 0.8677363417984185
Energy: 0.706108480950608
Energy: 0.7532408559581643
Energy: 0.7061084809515249
Energy: 0.7590816750865325
Energy: 0.8232418235737514
Energy: 0.7693404627498178
Energy: 0.8232418235737514
Energy: 0.7492467154897176
Energy: 0.7060120748875882
Energy: 0.8393570947782228
Energy: 0.7060120748885051
Energy: 0.7629641606723826
Energy: 0.7225073465425106
Energy: 0.7694013325652561
Energy: 0.7225073465434274
Energy: 0.8144683386539052
Energy: 0.686451715583674
Energy: 0.7663832394290389
Energy: 0.6864517155845908
Energy: 0.7630726092022869
Energy: 0.7304355737723438
Energy: 0.7710586192487688
Energy: 0.7304355737732607
Energy: 0.7353040396401952
Energy: 0.6862925659769133
Energy: 0.8011019220490788
Energy: 0.6862925659769133
Energy: 0.7765196709804165
Energy: 0.768489155748258
Energy: 0.7710084695753165
Energy: 0.768489155748258
Energy: 0.7861656988805245
Energy: 0.6862388594670579
Energy: 0.7593043195768109
Energy: 0.6862388594661409
Energy: 0.7764755154823383
Energy: 0.7942548276002624
Energy: 0.7773633822225747
Energy: 0.7942548275993456
Energy: 0.7469987100476314
Energy: 0.6861948936553305
Energy: 0.7827543316032912
Energy: 0.6861948936553305
Energy: 0.7727537358186669
Energy: 0.7975524315260997
Energy: 0.7771068397305033
Energy: 0.7975524315260997
Energy: 0.7494666411191488
Energy: 0.6862408152314415
Energy: 0.7549191672629346
Energy: 0.6862408152314415
Energy: 0.7760091355531846
Energy: 0.712300260945359
Energy: 0.7772986399736433
Energy: 0.712300260945359
Energy: 0.754726478980409
Energy: 0.6862366770270322
Energy: 0.7628753057847637
Energy: 0.6862366770270322
Energy: 0.7715680610301218
Energy: 0.6898720000033758
Energy: 0.7704860990430166
Energy: 0.6898720000042927
Energy: 0.7342836997192763
Energy: 0.6861507404374199
Energy: 0.7617163946027786
Energy: 0.6861507404374199
Energy: 0.7643270312048241
Energy: 0.6902701432627792
Energy: 0.7701023114212376
Energy: 0.6902701432627792
Energy: 0.7733366624459359
Energy: 0.6860977793494372
Energy: 0.7642244938055329
Energy: 0.6860977793494372
Energy: 0.7765743471120974
Energy: 0.7253666822908655
Energy: 0.753092688794294
Energy: 0.7253666822899488
Energy: 0.7496712033008466
Energy: 0.7058295641606022
Energy: 0.7671577910228872
Energy: 0.7058295641606022
Energy: 0.7590565218672047
Energy: 0.7145814915380548
Energy: 0.7691325260573678
Energy: 0.7145814915371379
Energy: 0.7913570727716719
Energy: 0.706189818895699
Energy: 0.7538365354672103
Energy: 0.7061898188947823
Energy: 0.7880253096108303
Energy: 0.7250655634007681
Energy: 0.7426856917198175
Energy: 0.7250655633998512
Energy: 0.7757677563541341
Energy: 0.7392886079608473
Energy: 0.7810153566049393
Energy: 0.7392886079599305
Energy: 0.7505339500996477
Energy: 0.7204693841637545
Energy: 0.7786994628179228
Energy: 0.7204693841628377
Energy: 0.8188429924095902
Energy: 0.7446690598754456
Energy: 0.7555784272501943
Energy: 0.7446690598754456
Energy: 0.8104692608411064
Energy: 0.735592516942961
Energy: 0.7427107904711402
Energy: 0.735592516942961
Energy: 0.7762684130587133
Energy: 0.739280025882015
Energy: 0.7810010049817175
Energy: 0.7392800258810981
Energy: 0.7589857978489993
Energy: 0.7166854995159312
Energy: 0.7786511751100018
Energy: 0.7166854995168481
Energy: 0.7912740311036189
Energy: 0.7062005543691567
Energy: 0.755742404515903
Energy: 0.7062005543691567
Energy: 0.7879883591429786
Energy: 0.724986880484233
Energy: 0.7528949868347755
Energy: 0.7249868804833162
Energy: 0.7495809561855796
Energy: 0.705887628348969
Energy: 0.7674145838370859
Energy: 0.705887628348969
Energy: 0.7644286804034444
Energy: 0.7230135523587918
Energy: 0.7692568581703334
Energy: 0.7230135523587918
Energy: 0.7735269376347326
Energy: 0.686025920429958
Energy: 0.7642527762387351
Energy: 0.686025920429958
Energy: 0.7765049114602693
Energy: 0.7411932450559492
Energy: 0.7706896467570598
Energy: 0.7411932450559492
Energy: 0.7335818989432029
Energy: 0.6862731841797834
Energy: 0.7611408390602298
Energy: 0.6862731841807003
Energy: 0.7760687402638757
Energy: 0.690050141727134
Energy: 0.7701723815894124
Energy: 0.690050141727134
Energy: 0.7551530196100723
Energy: 0.6801024902296353
Energy: 0.7607259975383049
Energy: 0.6801024902296353

minimum gb energy = 0.6801024902296353 eV
minimum distance =  2.32338891231224 Angstroms
sigma value = 113


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

Energy: 0.014873442040829193
Energy: 0.015087613398490842
Energy: 1.2233118493740158
Energy: 0.015087613399156525
Energy: 0.01569678552411325
Energy: 0.624812002424869
Energy: 0.01569678552411325
Energy: 0.6248120024241642
Energy: 1.464984007713529
Energy: 0.015087613398490842
Energy: 0.014873442040829193
Energy: 0.015087613398490842
Energy: 0.015696785523408405
Energy: 0.624812002424869
Energy: 0.015696785523408405
Energy: 0.624812002424869
Energy: 0.014873442040829193
Energy: 0.015087613398490842
Energy: 1.2233118493740158
Energy: 0.015087613398490842
Energy: 0.015696785523408405
Energy: 0.624812002424869
Energy: 0.015696785523408405
Energy: 0.624812002424869

minimum gb energy = 0.014873442040829193 eV
minimum distance =  2.45313960099654 Angstroms
sigma value = 1