Model name: model_name=LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.390116661787033
cohesive_energy=35.62344262805812
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.0783739985239537
Energy: 0.08160150236999358
Energy: -1.982978449220278
Energy: 0.08160150236302019
Energy: 0.0783739985239537
Energy: 0.08160150237348028
Energy: 0.08160150236999358
Energy: 22.439917131805828
Energy: 0.08160150235953348
Energy: 22.439917131917248
Energy: 0.08160150236999358
Energy: 22.22721175310681
Energy: -1.9829784492272517
Energy: 0.08160150235604677
Energy: 0.07837399852744041
Energy: 0.08160150235953348
Energy: -1.982978449220278
Energy: 0.08160150235953348
Energy: 0.08160150236650689
Energy: 22.439917131917248
Energy: 0.08160150236302019
Energy: 21.791006357358295
Energy: 0.08160150236650689
Energy: 22.439917131917248
Energy: 0.07837399852744041
Energy: 0.08160150237348028
Energy: -1.9829784492272517
Energy: 0.08160150236302019
Energy: 0.07837399852744041
Energy: 0.08160150236302019
Energy: 0.08160150236999358
Energy: 22.22721175311378
Energy: 0.08160150234907336
Energy: 22.43991713191027
Energy: 0.08160150236999358
Energy: 22.2272117531103

minimum gb energy = -1.9829784492272517 eV
minimum distance =  2.93378390167829 Angstroms
sigma value = 1


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

Energy: 16.119465075735988
Energy: 0.04137565426007888
Energy: 15.153150965844366
Energy: 0.04137565426881862
Energy: 16.119465075735988
Energy: 0.04137565420857687
Energy: 2.5785803189474046
Energy: -1.551773791749385
Energy: 2.0334135129996316
Energy: -1.5517737917409575
Energy: 2.0440090808425326
Energy: -1.5517737917409575
Energy: 15.337148747557558
Energy: -0.1606391436584417
Energy: 16.307522673182532
Energy: -0.16063914365001405
Energy: 15.339330984426972
Energy: -0.1606391436584417
Energy: 16.37746476538082
Energy: -2.9925452266922687
Energy: 15.273555438299407
Energy: -2.9925452267094355
Energy: 16.377464765406415
Energy: -2.992545226700696
Energy: 16.38201244030443
Energy: -0.03227256828932706
Energy: -41.05221857177971
Energy: -0.03227256819506278
Energy: 16.382012440321596
Energy: -0.03227256831492199
Energy: 16.30934181604155
Energy: -0.16656121018463657
Energy: 15.305526316074983
Energy: -0.16656121018463657
Energy: 16.309341816058716
Energy: -0.16656121018463657
Energy: 16.308261583544983
Energy: -0.1792246239692014
Energy: 15.30754681384351
Energy: -0.1792246239607738
Energy: 16.308261583544983
Energy: -0.1792246239520341
Energy: 16.85380599225065
Energy: -0.056960001688939776
Energy: 15.277557204910615
Energy: -0.05696000169767952
Energy: 16.853805992267816
Energy: -0.05696000162901018
Energy: -49.75977571197077
Energy: -0.4764896705050299
Energy: 15.272530442425287
Energy: -0.4764896705050299
Energy: -44.46362312781849
Energy: -0.4764896705050299
Energy: 16.34244913785355
Energy: -0.16907441563455983
Energy: 15.334205936134808
Energy: -0.16907441563455983
Energy: 16.342449137844806
Energy: -0.16907441564329956
Energy: 15.31583902846516
Energy: -3.926507007163941
Energy: -69.56159936856068
Energy: -3.926507007163941
Energy: 15.308795914401392
Energy: -3.926507007172369
Energy: 15.277111562713136
Energy: 0.17297343516610836
Energy: 15.277275705109671
Energy: 0.17297343514894103
Energy: 15.277114039589236
Energy: 0.17297343514894103
Energy: 2.0068437258191447
Energy: -3.9265070071552017
Energy: -48.1350611015435
Energy: -3.926507007172369
Energy: 2.0146142973542296
Energy: -3.926507007163941
Energy: 15.333654532775679
Energy: -0.17004494171087647
Energy: 16.342296789998112
Energy: -0.17004494171087647
Energy: 15.333945972229813
Energy: -0.1700449417193041
Energy: 15.270783044632156
Energy: -0.4750441163923138
Energy: -1.5576345535148426
Energy: -0.4750441164010536
Energy: 15.270890274879859
Energy: -0.4750441164010536
Energy: 15.281571054388952
Energy: -0.03646613188380581
Energy: 16.85135204828577
Energy: -0.03646613184104353
Energy: 15.281515332309512
Energy: -0.03646613184104353
Energy: 15.304541357392049
Energy: -0.17778352188423074
Energy: 16.307501444187984
Energy: -0.17778352190139807
Energy: 15.304584118533198
Energy: -0.17778352189297048
Energy: 15.305488992169092
Energy: -0.1629950635281582
Energy: 16.30856422105956
Energy: -0.1629950635281582
Energy: 15.304436684739697
Energy: -0.1629950635281582
Energy: 16.37852538314837
Energy: -0.07889785349394011
Energy: 16.38157505035084
Energy: -0.07889785716618937
Energy: 16.378525383182705
Energy: -0.07889785424899078
Energy: 15.274080716817226
Energy: -2.9902273990716095
Energy: 16.377588578879415
Energy: -2.99022739906287
Energy: 15.275535603832665
Energy: -2.9902273990716095
Energy: 16.307060505948602
Energy: -0.15807379290859794
Energy: 15.339321874060053
Energy: -0.15807379290859794
Energy: 16.30706050596577
Energy: -0.15807379290859794
Energy: 2.009554935324324
Energy: -1.765179665727492
Energy: 1.3535356302855928
Energy: -1.7651796657190646
Energy: -46.75658099302877
Energy: -1.7651796657190646
Energy: 15.832734593760094
Energy: 0.04137565420014928
Energy: 16.119465075735988
Energy: 0.04137565404564325
Energy: 15.833890013946828
Energy: 0.04137565420857687

minimum gb energy = -69.56159936856068 eV
minimum distance =  2.85312206709647 Angstroms
sigma value = 33


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

Energy: 21.31251823371724
Energy: 4.846414297533522
Energy: -29.81446515020415
Energy: 4.8464142975189635
Energy: 21.312518233712446
Energy: 4.8464142975189635
Energy: 15.886686994676126
Energy: 3.2190479019616665
Energy: -32.09106346628228
Energy: 3.219047901951902
Energy: 15.88668696233999
Energy: 3.2190479019568725
Energy: 15.491334517879798
Energy: 4.818265556168326
Energy: 16.274542313936973
Energy: 4.818265556168326
Energy: 15.491309746545506
Energy: 4.818265556168326
Energy: 15.90906961139304
Energy: 2.572523129198706
Energy: 16.270693533689236
Energy: 2.5725231292035
Energy: 15.909069611461392
Energy: 2.572523129198706
Energy: 15.91118339633158
Energy: 2.5351294844857395
Energy: -23.33802889881304
Energy: 2.5351294844955046
Energy: 15.911183396307077
Energy: 2.535129484500476
Energy: 16.816547746320367
Energy: 3.198051175171276
Energy: 15.23954832046721
Energy: 3.198051175166305
Energy: 16.816547746330134
Energy: 3.198051175166305
Energy: 16.805188265018952
Energy: 3.61053437503643
Energy: 15.244200676606175
Energy: 3.610534374987606
Energy: 16.80518826497031
Energy: 3.6105343750266647
Energy: 15.278667992052474
Energy: 4.701516669669492
Energy: 5.809889438406865
Energy: 4.701516669669492
Energy: 15.24664827467407
Energy: 4.701516669669492
Energy: 15.932420117208205
Energy: 1.6773345165490894
Energy: 16.76561639003302
Energy: 1.6773345166369718
Energy: 15.93242028375456
Energy: 1.6773345165931193
Energy: 16.064719361573275
Energy: 4.970076676281182
Energy: 15.99062392156104
Energy: 4.9700766762909465
Energy: 16.064719361568482
Energy: 4.9700766762909465
Energy: -27.118004438837524
Energy: 1.289231119226994
Energy: 16.136130664466272
Energy: 1.2892311192172294
Energy: 4.762394748791779
Energy: 1.2892311192172294
Energy: 16.27995074988109
Energy: 4.763696275161396
Energy: -33.703572232870336
Energy: 4.763696275151632
Energy: 16.279950749890855
Energy: 4.763696275151632
Energy: 16.251703136962536
Energy: 2.6975218262094782
Energy: 15.989316334943974
Energy: 2.6975218262046843
Energy: 16.251703137025917
Energy: 2.6975218262046843
Energy: 15.772344064664981
Energy: 4.806492156009217
Energy: 16.104141406131873
Energy: 4.806492156004422
Energy: 15.772344064669776
Energy: 4.806492156009217
Energy: 16.274600073297318
Energy: 2.920297235389963
Energy: 15.920793632532105
Energy: 2.920297235380199
Energy: 16.274600073302114
Energy: 2.920297235380199
Energy: 16.273302108927822
Energy: 2.845050763369473
Energy: -34.53126006583688
Energy: 2.845050763232767
Energy: 16.273302108908293
Energy: 2.8450507633890028
Energy: 16.244340956487953
Energy: 2.5775104325636202
Energy: 15.992424573857278
Energy: 2.577510432573385
Energy: 16.244340956517245
Energy: 2.577510432578356
Energy: 16.24361912533438
Energy: 2.7900541826125584
Energy: 15.925707996076085
Energy: 2.7900541826418523
Energy: 16.24361912536847
Energy: 2.7900541826370584
Energy: 15.28760066004783
Energy: 2.739842489773973
Energy: 5.582390161624688
Energy: 2.739842489769179
Energy: 15.287828242200971
Energy: 2.739842489778944
Energy: 16.045816036795923
Energy: 1.6890678875209904
Energy: -15.751534107956946
Energy: 1.689067887525961
Energy: 16.045816036830015
Energy: 1.6890678875307548
Energy: 16.35245618361856
Energy: 4.882706977000111
Energy: 3.1065754885256855
Energy: 4.882706976990346
Energy: 16.352456183613764
Energy: 4.882706976995316
Energy: 16.022862620059318
Energy: 2.321351531873821
Energy: -27.231798010897602
Energy: 2.321351531873821
Energy: 16.0228138561916
Energy: 2.321351531873821
Energy: 16.01880951055995
Energy: 2.542423405875844
Energy: -23.334728662373603
Energy: 2.542423405875844
Energy: 16.018809510564747
Energy: 2.542423405875844
Energy: 16.24764800429965
Energy: 2.6621387730531985
Energy: 4.03480793055208
Energy: 2.6621387730531985
Energy: 16.247648004275327
Energy: 2.662138772975258
Energy: 15.553711514016419
Energy: 2.5566282393457067
Energy: 16.274930825054337
Energy: 2.5566282393213835
Energy: 15.553711514030974
Energy: 2.5566282393457067
Energy: 17.027119917568108
Energy: 4.718038794800646
Energy: 15.133938102870424
Energy: 4.718038794781116
Energy: 17.02711991758764
Energy: 4.718038794781116
Energy: 17.02615026140423
Energy: 4.718913346278843
Energy: 15.245488930178064
Energy: 4.718913346283636
Energy: 17.02615026142376
Energy: 4.718913346278843
Energy: 15.552048619384696
Energy: 2.5759852327934643
Energy: 16.275194440795556
Energy: 2.575985232778728
Energy: 15.552048619399432
Energy: 2.575985232788493
Energy: 16.247611340044003
Energy: 2.643931723290381
Energy: -9.82760449014613
Energy: 2.6439317232855877
Energy: 16.24761133999536
Energy: 2.643931723290381
Energy: 16.017898172206614
Energy: 2.539723418503516
Energy: 16.250350670975678
Energy: 2.5397234184889577
Energy: 16.017898172206614
Energy: 2.5397234184889577
Energy: 16.025863425303903
Energy: 2.3213515319469673
Energy: 6.1083187657852545
Energy: 2.3213515319372027
Energy: 16.025753272613397
Energy: 2.3213515319372027
Energy: 16.352362457831173
Energy: 4.883336723257722
Energy: -30.402251066507777
Energy: 4.883336723267486
Energy: 16.352362457821407
Energy: 4.883336723267486
Energy: 16.05078138297659
Energy: 1.6971244372039618
Energy: 5.88558769451231
Energy: 1.6971244372039618
Energy: 16.05078138295706
Energy: 1.6971244372039618
Energy: 15.287537225936438
Energy: 2.8461281808272485
Energy: 16.20555179288667
Energy: 2.846128180832042
Energy: 15.287576749076976
Energy: 2.846128180832042
Energy: 16.243396495434606
Energy: 2.803665886439986
Energy: -27.118000353338157
Energy: 2.8036658864254274
Energy: 16.243396495424843
Energy: 2.8036658864254274
Energy: 16.245835078422203
Energy: 2.5882666317631595
Energy: 15.992193503733015
Energy: 2.5882666317826883
Energy: 16.24583507837338
Energy: 2.588266631777717
Energy: 16.273114136719315
Energy: 2.865547751595421
Energy: 15.570633404736764
Energy: 2.8655477516002144
Energy: 16.273114136763166
Energy: 2.8655477515904497
Energy: 16.2740441835145
Energy: 2.890280447716929
Energy: 15.921268989180707
Energy: 2.8902804477071644
Energy: 16.274044183485206
Energy: 2.8902804477071644
Energy: 15.771367758692348
Energy: 4.806724256005359
Energy: 7.746163997288979
Energy: 4.806724256005359
Energy: 15.77136775867282
Energy: 4.806724256005359
Energy: 16.25176782595691
Energy: 2.6961844707818394
Energy: 15.989659921504332
Energy: 2.696184470786811
Energy: 16.25176782598123
Energy: 2.696184470791604
Energy: 16.28228985916641
Energy: 4.7629083304609985
Energy: 15.55762082925006
Energy: 4.7629083304609985
Energy: 16.28228985916144
Energy: 4.7629083304609985

minimum gb energy = -34.53126006583688 eV
minimum distance =  2.8183020390047 Angstroms
sigma value = 51


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

Energy: 11.297538079419118
Energy: 9.450060025452787
Energy: 2.507923570722229
Energy: 9.450060025441477
Energy: 11.297538079407806
Energy: 9.450060025452787
Energy: 1.1006509767916408
Energy: 5.990272481097703
Energy: 3.5204386750611896
Energy: 5.990272481086391
Energy: 1.1006509767916408
Energy: 5.990272481086391
Energy: 3.3590383481046846
Energy: 9.43938379867004
Energy: 2.6727830622599638
Energy: 9.43938379867004
Energy: 3.3072020885068216
Energy: 9.43938379867004
Energy: 1.1762475199734905
Energy: 8.177744885846336
Energy: 2.7304403384209106
Energy: 8.177744885846336
Energy: 1.176247519984803
Energy: 8.177744885846336
Energy: 1.1762662430191755
Energy: 8.00180882933397
Energy: 2.6824376761545303
Energy: 8.001808829322657
Energy: 1.1818895962102056
Energy: 8.001808829322657
Energy: 11.300115802166532
Energy: 7.981770015350057
Energy: 2.8543777440051237
Energy: 7.981770015372681
Energy: 11.300115802166532
Energy: 7.981770015372681
Energy: 11.37953350617273
Energy: 7.962383462786317
Energy: 2.665040729378113
Energy: 7.962383462775005
Energy: 11.379533506184044
Energy: 7.962383462775005
Energy: 1.3802150808794276
Energy: 8.142708485119883
Energy: 5.6699773253266486
Energy: 8.142708485119883
Energy: 1.3747947143382686
Energy: 8.142708485119883
Energy: 11.337085699845312
Energy: 2.468369982171731
Energy: 9.159096667975868
Energy: 2.4684662087383638
Energy: 11.337085699800062
Energy: 2.48141758298573
Energy: 5.9248250113998555
Energy: 9.468383978348985
Energy: 5.763261584003754
Energy: 9.468383978360297
Energy: 5.967007443257015
Energy: 9.468383978360297
Energy: 11.305093696780325
Energy: 6.027405888334446
Energy: 2.7012510921327193
Energy: 6.027405888357071
Energy: 11.305093696825574
Energy: 6.027405888357071
Energy: 11.28625374434348
Energy: 9.477761623741566
Energy: 2.849390838000012
Energy: 9.477761623741566
Energy: 11.28625374434348
Energy: 9.477761623741566
Energy: 5.664463725045926
Energy: 5.982175187229885
Energy: 2.6808016900544667
Energy: 5.9821751872411975
Energy: 5.664463725045926
Energy: 5.9821751872411975
Energy: 1.1102568810992695
Energy: 9.457452986993818
Energy: 2.67069472804529
Energy: 9.457452986993818
Energy: 1.1102568810879572
Energy: 9.457452986993818
Energy: 1.1380212288622122
Energy: 10.736943740411435
Energy: 2.188975577940277
Energy: 10.736943740411435
Energy: 1.1380212288509
Energy: 10.736943740411435
Energy: 3.326123138828708
Energy: 6.2033555447317035
Energy: 2.251143604218876
Energy: 6.203355544754329
Energy: 3.326122877572714
Energy: 6.203355544743017
Energy: 11.356300089664922
Energy: 9.335208739516746
Energy: 2.981012118577468
Energy: 9.335208739505434
Energy: 11.356300089664922
Energy: 9.335208739505434
Energy: 12.270105453419658
Energy: 6.219579298028305
Energy: 2.1824873902647584
Energy: 6.219579298039617
Energy: 12.270105453430968
Energy: 6.219579298050929

minimum gb energy = 1.1006509767916408 eV
minimum distance =  2.79025837999972 Angstroms
sigma value = 19


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

Energy: 22.795720184525074
Energy: 11.186722948514888
Energy: 17.63754500807457
Energy: 11.186722948514888
Energy: 22.795720184525074
Energy: 11.186722948514888
Energy: 17.75042286509089
Energy: 7.139234152953688
Energy: -15.834089612740192
Energy: 7.139234152953688
Energy: 17.750710669307267
Energy: 7.139234152953688
Energy: 17.97278887768768
Energy: 10.640799239695678
Energy: 19.018158478016023
Energy: 10.640799239688969
Energy: 17.971157052652078
Energy: 10.640799239675548
Energy: -21.39759972377612
Energy: 7.27848391735971
Energy: -15.808246829388764
Energy: 7.278483917353
Energy: -21.397558173154025
Energy: 7.27848391735971
Energy: -36.594991745327114
Energy: 10.606794135878125
Energy: -18.441579682992394
Energy: 10.606794135878125
Energy: -24.337719960973576
Energy: 10.606794135878125
Energy: 18.860827993391137
Energy: 10.606045668346237
Energy: -24.352273499321132
Energy: 10.606045668346237
Energy: 18.86082799341127
Energy: 10.606045668346237
Energy: -17.74177440647977
Energy: 7.2707711241660276
Energy: 17.743838431738975
Energy: 7.270771124179449
Energy: -21.37428262731596
Energy: 7.270771124179449
Energy: 19.01843392760843
Energy: 10.641483612704228
Energy: 17.97131057057002
Energy: 10.641483612690807
Energy: 19.018433927601716
Energy: 10.641483612690807
Energy: -17.712249482998317
Energy: 7.138651590668063
Energy: 17.75078836859985
Energy: 7.138651590668063
Energy: -17.714547714659275
Energy: 7.138651590621091
Energy: 17.637126075791063
Energy: 11.186722948521597
Energy: 22.795720184518363
Energy: 11.186722948521597
Energy: 17.637249645896034
Energy: 11.186722948521597
Energy: -17.7074956076487
Energy: 7.139234152960399
Energy: 17.750829829573814
Energy: 7.139234152960399
Energy: -16.56544001356662
Energy: 7.139234152960399
Energy: 19.018158478016023
Energy: 10.64079923968226
Energy: 17.97331838605647
Energy: 10.64079923968226
Energy: 19.018158478009312
Energy: 10.64079923968226
Energy: -19.120197947416795
Energy: 7.27848391735971
Energy: 18.42027892738709
Energy: 7.27848391736642
Energy: -19.135660141259276
Energy: 7.27848391736642
Energy: -15.285497746243731
Energy: 10.606794135878125
Energy: -24.321856433073474
Energy: 10.606794135891544
Energy: -14.429235862017519
Energy: 10.606794135878125
Energy: -24.368006984195112
Energy: 10.606045668352944
Energy: 18.86082799339785
Energy: 10.606045668339526
Energy: -24.42083837029914
Energy: 10.606045668339526
Energy: 17.74335122134682
Energy: 7.270771124172738
Energy: -19.349578780842133
Energy: 7.270771124172738
Energy: 17.745516118854233
Energy: 7.270771124179449
Energy: 17.97110465069348
Energy: 10.641483612690807
Energy: 19.01843392760843
Energy: 10.641483612697517
Energy: 17.971008703007655
Energy: 10.641483612704228
Energy: 17.749619054802615
Energy: 7.138651590621091
Energy: -15.903277069413916
Energy: 7.138651590627802
Energy: 17.751061207937664
Energy: 7.138651590668063
Energy: 22.795720184525074
Energy: 11.186722948514888
Energy: -25.492110283635785
Energy: 11.186722948521597
Energy: 22.795720184525074
Energy: 11.186722948521597
Energy: 17.750805428131613
Energy: 7.139234152953688
Energy: -15.87462344534329
Energy: 7.139234152946978
Energy: 17.75087299402452
Energy: 7.139234152946978
Energy: 17.97099140963663
Energy: 10.640799239688969
Energy: 19.018158478016023
Energy: 10.640799239688969
Energy: 17.972822801947764
Energy: 10.640799239695678
Energy: 18.427147509496066
Energy: 7.27848391735971
Energy: -15.76668831152131
Energy: 7.27848391736642
Energy: 18.422716555294176
Energy: 7.27848391735971
Energy: 6.620835776852741
Energy: 10.606794135891544
Energy: -19.417789925005252
Energy: 10.606794135878125
Energy: -13.448196306394728
Energy: 10.606794135891544
Energy: 18.86082799341127
Energy: 10.606045668366365
Energy: -24.80453824709302
Energy: 10.606045668352944
Energy: 18.86082799342469
Energy: 10.606045668352944
Energy: -17.886306842207404
Energy: 7.2707711241660276
Energy: 17.745448695918164
Energy: 7.270771124159317
Energy: -17.873489999891085
Energy: 7.2707711241660276
Energy: 19.01843392760843
Energy: 10.641483612690807
Energy: 17.97127924528292
Energy: 10.641483612697517
Energy: 19.018433927615135
Energy: 10.641483612697517
Energy: -17.725773694758
Energy: 7.138651590621091
Energy: 17.75094820799059
Energy: 7.138651590668063
Energy: -17.665668677962277
Energy: 7.138651590621091
Energy: 18.379127915804222
Energy: 11.186722948514888
Energy: 22.79572018451165
Energy: 11.186722948521597
Energy: 18.3791279962099
Energy: 11.186722948521597
Energy: -15.682096983595338
Energy: 7.139234152967108
Energy: 17.75084599461549
Energy: 7.139234152967108
Energy: -9.003772299041932
Energy: 7.139234152967108
Energy: 19.01815847802273
Energy: 10.64079923968226
Energy: 17.97306132479615
Energy: 10.64079923968226
Energy: 19.01815847802273
Energy: 10.640799239688969

minimum gb energy = -36.594991745327114 eV
minimum distance =  2.79243457751249 Angstroms
sigma value = 27


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

Energy: 16.88470681082508
Energy: 0.20213813509566123
Energy: 16.391857516278968
Energy: 0.20213813522371626
Energy: 16.88470747280762
Energy: 0.20213813502005343
Energy: 16.857193085347014
Energy: 2.791569077147095
Energy: 16.772097774584612
Energy: 2.791569077150382
Energy: 16.85804438561198
Energy: 2.7915690771536696
Energy: 16.999105494351763
Energy: 11.184977094916325
Energy: 16.772812406841982
Energy: 11.184977094916325
Energy: 17.001220667011797
Energy: 11.18497709491797
Energy: 16.595709915316473
Energy: 0.25630731684153846
Energy: 16.762185622046225
Energy: 0.2563073168398948
Energy: 16.597879988848128
Energy: 0.25630731684153846
Energy: 16.76933286853841
Energy: 0.2617200156490949
Energy: 16.75317084695313
Energy: 0.2617200156441639
Energy: 16.769332865525307
Energy: 0.261720015639233
Energy: 16.74973737528559
Energy: 11.207033676000341
Energy: 16.76981246777816
Energy: 11.207033675983906
Energy: 16.749913894570366
Energy: 11.20703367598555
Energy: 16.74482479531784
Energy: 2.796603470010031
Energy: 16.777717721563842
Energy: 2.796603470014962
Energy: -3.342679495122024
Energy: 2.7966034700116746
Energy: 16.59675199362933
Energy: 0.2847518740905257
Energy: 16.75857216831995
Energy: 0.28475187408888203
Energy: 16.596911580512863
Energy: 0.28475187408559477
Energy: 16.76866819426445
Energy: -0.3138280151280097
Energy: 3.1943302058165224
Energy: -0.31382801513294056
Energy: 16.768668108921347
Energy: -0.31382801549932454
Energy: 16.747620369052274
Energy: 11.18696514197711
Energy: 16.747310284728417
Energy: 11.186965141978751
Energy: 16.747549105385538
Energy: 11.186965141978751
Energy: 16.748085775395094
Energy: -0.2909215286767392
Energy: 16.768274267649986
Energy: -0.2909215272736621
Energy: 16.74815157679482
Energy: -0.29092152816735795
Energy: 16.757478625162815
Energy: 0.3027762933022001
Energy: 16.596419524921817
Energy: 0.3027762933038437
Energy: 16.75747495327164
Energy: 0.30277629330548733

minimum gb energy = -3.342679495122024 eV
minimum distance =  2.81620413963211 Angstroms
sigma value = 9


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

Energy: -3.2530104349196476
Energy: 7.797698841575387
Energy: -7.419637667641548
Energy: 7.797698841575387
Energy: -3.2530099666614882
Energy: 7.797698841575387
Energy: -5.586033633485697
Energy: 0.7613487402376661
Energy: -21.133394930075404
Energy: 1.901814191273448
Energy: -5.586033638106465
Energy: 0.7613487402146587
Energy: 4.46881559737703
Energy: 7.626339389175675
Energy: -7.8290859730450855
Energy: 7.626339389170973
Energy: 4.468815818866799
Energy: 7.626339389166438
Energy: -7.095054047719225
Energy: 6.005044443754669
Energy: -8.177247710125625
Energy: 6.0050444437639054
Energy: -7.095054047700752
Energy: 6.005044443759371
Energy: -1.7690613447119905
Energy: 6.327118515835636
Energy: -34.63580732003418
Energy: 6.327118515734034
Energy: -1.769061344725761
Energy: 6.3271185158264
Energy: -5.969952659548952
Energy: 6.158234899900748
Energy: -7.418405546317071
Energy: 5.703837987515962
Energy: -5.969952659419809
Energy: 6.158234899905282
Energy: -7.292396967590021
Energy: 6.309976685146754
Energy: -4.195718625748375
Energy: 6.309976685146754
Energy: -7.292396964003236
Energy: 6.309976685146754
Energy: -20.385162882390667
Energy: 6.317433217711637
Energy: -7.312639462681914
Energy: 6.317433217725409
Energy: -20.475353723074605
Energy: 6.317433217716171
Energy: -8.640528943516347
Energy: 1.4784970256089127
Energy: 3.7793865007134455
Energy: 1.4784970256273857
Energy: -8.640527201085474
Energy: 1.478497025632088
Energy: 1.2544352328799773
Energy: 7.613895424515205
Energy: -9.08343689279681
Energy: 7.6138954245105035
Energy: 1.254435355809401
Energy: 7.6138954245105035
Energy: -49.50776478250456
Energy: 3.311524053227764
Energy: 2.9675189191010154
Energy: 3.3115240532324663
Energy: -49.50635609326834
Energy: 3.3115240532324663
Energy: -8.550909664093702
Energy: 6.445087288912089
Energy: 1.1518264873699682
Energy: 6.445087288898319
Energy: -17.565155647248762
Energy: 6.445087288893617
Energy: -5.875463375651857
Energy: 5.486501509938907
Energy: -2.9086013953028043
Energy: 5.486501509934373
Energy: -5.875463378901762
Energy: 5.486501509925136
Energy: -7.257760277160858
Energy: 7.814808515631744
Energy: -2.2402559302595653
Energy: 7.814808515640979
Energy: -7.258237103537699
Energy: 7.814808515640979
Energy: -6.132290505041337
Energy: 6.933884490249591
Energy: -33.29348409665036
Energy: 6.933884490249591
Energy: -7.569815874178036
Energy: 6.933884490249591
Energy: -1.1013054188040727
Energy: 3.801593172438839
Energy: 1.2378630392656595
Energy: 3.8015931724435412
Energy: -1.101305418808607
Energy: 3.801593172438839
Energy: 2.614180068223142
Energy: 7.505856208791915
Energy: -10.489081944135615
Energy: 7.505856208801151
Energy: 2.61418007308406
Energy: 7.505856208805686
Energy: -8.29261870872019
Energy: 2.617780282061772
Energy: -21.342349911030645
Energy: 2.617780282048001
Energy: -8.292618666938964
Energy: 2.617780282048001
Energy: -7.3181232307180775
Energy: 7.61439019084319
Energy: -5.9598084138947645
Energy: 7.61439019082925
Energy: -7.318123226512615
Energy: 7.61439019082925
Energy: -6.05241517063725
Energy: 0.6152147972198824
Energy: -6.023349250248429
Energy: 0.1589100209972344
Energy: -6.052415170706439
Energy: 0.6152147972291189
Energy: -5.963832101826934
Energy: 7.613406778810985
Energy: -6.957218270488928
Energy: 7.613406778824924
Energy: -5.96383210752787
Energy: 7.613406778824924
Energy: -34.22439906982912
Energy: 2.6200575148616987
Energy: -8.012936598597648
Energy: 2.6200575148524625
Energy: -38.717390038900476
Energy: 2.6200575148524625
Energy: -10.494705961750263
Energy: 7.491901924589047
Energy: 2.335434818817931
Energy: 7.491901924589047
Energy: -10.494705962461138
Energy: 7.491901924598283
Energy: 1.215309990240288
Energy: 3.8011267125928208
Energy: -1.0932414336403227
Energy: 3.801126712597355
Energy: 1.2153099902357538
Energy: 3.8011267125928208
Energy: 2.9484337732365375
Energy: 6.933853991631363
Energy: -8.513125804011937
Energy: 6.933853991626662
Energy: -29.21444660138745
Energy: 6.933853991631363
Energy: -0.7421593817349612
Energy: 7.825075247582838
Energy: -7.466492248962531
Energy: 7.825075247573602
Energy: -0.7868464833876916
Energy: 7.825075247578135
Energy: -2.911231201766112
Energy: 5.367214179758646
Energy: -6.506017645462648
Energy: 5.367214179786355
Energy: -2.914722850331021
Energy: 5.367214179869316
Energy: -1.1681864801524264
Energy: 6.442572093074834
Energy: -9.138440858493606
Energy: 6.442572093074834
Energy: -1.1681864805032456
Energy: 6.442572093079536
Energy: 2.941129933718415
Energy: 3.299849949434605
Energy: -5.453911044355141
Energy: 3.2998499494393077
Energy: 3.098563808700266
Energy: 3.2998499494438422
Energy: -0.7838700290537217
Energy: 7.605225927264579
Energy: 1.9735496625985443
Energy: 7.605225927273814
Energy: -0.7838700290721947
Energy: 7.605225927269113
Energy: 3.810176812784455
Energy: 1.4784970255766687
Energy: -8.656914765357897
Energy: 1.4784970255674326
Energy: 3.810949769953924
Energy: 1.4784970255766687
Energy: -7.427472201612364
Energy: 6.327527766027872
Energy: -0.8254756181947787
Energy: 6.327527766037108
Energy: -7.427472201626135
Energy: 6.32752776604181
Energy: -4.188805884028982
Energy: 6.309436382851061
Energy: -7.495713853796968
Energy: 6.309436382864831
Energy: -4.188805884019746
Energy: 6.309436382901778
Energy: -7.365052895118679
Energy: 7.676442281945323
Energy: -5.96450973898469
Energy: 6.156654556987814
Energy: -7.3650528951416865
Energy: 7.676442281954561
Energy: -8.193688076476624
Energy: 6.331875394176059
Energy: -1.7672255334903701
Energy: 6.331875394162289
Energy: -8.193688075871885
Energy: 6.331875394120808
Energy: -8.177852885294525
Energy: 5.999829296936119
Energy: -7.098522898807378
Energy: 5.999829296936119
Energy: -8.177852885197623
Energy: 5.999829296936119
Energy: -7.7234014221421425
Energy: 7.497967925790469
Energy: 4.467785184195421
Energy: 7.497967925799706
Energy: -7.36611027359453
Energy: 7.497967925799706
Energy: -23.244526177340155
Energy: 2.082948118563071
Energy: -5.817409439083515
Energy: 1.4051798105378706
Energy: -21.24530370092831
Energy: 2.0829481185583685
Energy: -2.551986828713813
Energy: 7.797698841570853
Energy: -3.2530445007893722
Energy: 7.797698841566149
Energy: -2.5519868289954424
Energy: 7.797698841566149
Energy: -20.181116147431656
Energy: 0.7613487402238952
Energy: -5.586033586548153
Energy: 0.7613487402191931
Energy: -7.810568432885573
Energy: 0.7613487402191931
Energy: -8.049762886276719
Energy: 7.626339389194149
Energy: 4.468815918964601
Energy: 7.6263393891849125
Energy: -7.551463768247633
Energy: 7.6263393891849125
Energy: -8.177247710121092
Energy: 6.0050444437686075
Energy: -7.095054047640631
Energy: 6.005044443787082
Energy: -8.177247710148633
Energy: 6.005044443787082
Energy: -13.728117847996435
Energy: 6.327118515849406
Energy: -1.7690613446797465
Energy: 6.327118515844872
Energy: -13.728241831677845
Energy: 6.327118515840171

minimum gb energy = -49.50776478250456 eV
minimum distance =  2.76311307028332 Angstroms
sigma value = 57


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

Energy: 16.273055999885724
Energy: 9.559925646109193
Energy: 16.08633287223179
Energy: 9.559925646119705
Energy: 16.273056021795362
Energy: 9.559925646119705
Energy: 16.3482268710598
Energy: 1.5702022549146495
Energy: -30.071501370629154
Energy: 1.5702022549146495
Energy: 16.348226871049288
Energy: 1.5702022549041363
Energy: 16.27579556163808
Energy: 7.075605132772694
Energy: 16.092304484535983
Energy: 7.075605132762181
Energy: 16.275795561627568
Energy: 7.075605132762181
Energy: 16.34009035102169
Energy: 7.034541741558324
Energy: 16.10495564064515
Energy: 7.034541741558324
Energy: 16.34009035096932
Energy: 7.034541741558324
Energy: 16.38326569423777
Energy: 9.510095287592435
Energy: -35.41075662511342
Energy: 9.510095287592435
Energy: 16.383265695635405
Energy: 9.510095287592435
Energy: 16.343201704738192
Energy: 6.95161883795685
Energy: 15.945608136010765
Energy: 6.951618837946338
Energy: 16.34320170472768
Energy: 6.951618837946338
Energy: 16.341721962140248
Energy: 6.958867973715372
Energy: 15.946393626963722
Energy: 6.958867973704859
Energy: 16.341721962150757
Energy: 6.958867973704859
Energy: 16.384367656799775
Energy: 9.508830617063088
Energy: 16.096140957515576
Energy: 9.508830617073599
Energy: 16.384367657882017
Energy: 9.508830617073599
Energy: 16.340500910378967
Energy: 7.0311619394650435
Energy: -29.424616185983098
Energy: 7.0311619394650435
Energy: 16.340500910305376
Energy: 7.0311619394650435
Energy: 16.27760825776189
Energy: 7.073585924843975
Energy: 16.09680341486178
Energy: 7.073585924843975
Energy: 16.27760825776189
Energy: 7.073585924843975
Energy: 16.347557455414975
Energy: 1.5702022549146495
Energy: 16.09329605445306
Energy: 1.570202254925162
Energy: 16.347557455435997
Energy: 1.5702022549041363
Energy: 16.27305603987987
Energy: 9.559925646119705
Energy: -20.40431001637059
Energy: 9.559925646109193
Energy: 16.273056021774337
Energy: 9.559925646109193
Energy: 16.348226871070313
Energy: 1.570202254925162
Energy: 16.051921387407273
Energy: 1.5702022549146495
Energy: 16.348226871049288
Energy: 1.570202254935675
Energy: 16.275795561627568
Energy: 7.075605132762181
Energy: 16.092304484535983
Energy: 7.075605132762181
Energy: 16.275795561627568
Energy: 7.075605132772694
Energy: 16.340090350958807
Energy: 7.034541741558324
Energy: 16.10495564064515
Energy: 7.034541741558324
Energy: 16.340090350990156
Energy: 7.034541741558324
Energy: 16.383265697652906
Energy: 9.510095287592435
Energy: 16.060849607730812
Energy: 9.510095287592435
Energy: 16.38326569649707
Energy: 9.510095287602946
Energy: 16.343201704738192
Energy: 6.95161883795685
Energy: 15.945608136000251
Energy: 6.951618837967364
Energy: 16.34320170471736
Energy: 6.951618837967364
Energy: 16.341721962129732
Energy: 6.958867973715372
Energy: 15.94639362695321
Energy: 6.958867973662808
Energy: 16.341721962150757
Energy: 6.958867973715372
Energy: 16.384367658481057
Energy: 9.508830617073599
Energy: 16.096140957547114
Energy: 9.508830617073599
Energy: 16.38436765879625
Energy: 9.508830617073599

minimum gb energy = -35.41075662511342 eV
minimum distance =  2.79454745292895 Angstroms
sigma value = 11


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

Energy: 12.610060154851348
Energy: -2.9087626103701303
Energy: 11.873070318227137
Energy: -2.908762610393093
Energy: 12.610060154427943
Energy: -2.908762610393093
Energy: -53.85919459475859
Energy: -5.852420632111705
Energy: 12.380333899712436
Energy: -5.8524206323581325
Energy: -54.16434549316438
Energy: -5.8524206319039225
Energy: 12.50055566692314
Energy: 1.2848028852291866
Energy: 12.269385583610713
Energy: 1.2848028852291866
Energy: 12.50055566684613
Energy: 1.2848028852291866
Energy: 12.654708194908233
Energy: -7.858692707502083
Energy: 12.381649262143622
Energy: -7.858692707502083
Energy: 12.654708195054408
Energy: -7.858692707494522
Energy: 12.640194135943846
Energy: -3.012832644853954
Energy: -51.32229749097792
Energy: -3.012832644861515
Energy: 12.640194136005453
Energy: -3.012832644861515
Energy: 12.154105634764672
Energy: -3.658586314853977
Energy: 12.381768099031012
Energy: -3.658586314846136
Energy: 12.154130907652453
Energy: -3.658586314853977
Energy: 12.445651443194311
Energy: 0.12213458676757068
Energy: 12.39036862111771
Energy: 0.12213458676757068
Energy: 12.445651443071098
Energy: 0.12213458675972982
Energy: 12.663237113169616
Energy: -2.974367776326736
Energy: 12.413393028200758
Energy: -2.974367776326736
Energy: 12.663237113077205
Energy: -2.974367776326736
Energy: 12.658240640524246
Energy: -3.1154748746800824
Energy: -52.523441824228925
Energy: -3.115474874664681
Energy: 12.658240640531806
Energy: -3.1154748746571195
Energy: 12.156378791324292
Energy: -0.04454474607073246
Energy: 12.381404366450681
Energy: -0.04454474552411301
Energy: 12.156279408284322
Energy: -0.044544745816744835
Energy: 12.447703740620488
Energy: -3.653347504652376
Energy: 12.389437211207307
Energy: -3.653347504652376
Energy: 12.447703740497273
Energy: -3.653347504652376
Energy: -54.12882390618651
Energy: -2.9336627039194303
Energy: 12.38407794361933
Energy: -2.9336627039040284
Energy: -54.20666442694047
Energy: -2.9336627039115895
Energy: 12.155628846530048
Energy: -7.877942002114158
Energy: -50.354313771551894
Energy: -7.877942002114158
Energy: 12.155587610951578
Energy: -7.87794200212172
Energy: 12.414748360788641
Energy: 1.3389194266176214
Energy: 12.267421736642985
Energy: 1.3389194266100606
Energy: 12.414748360919415
Energy: 1.3389194266100606
Energy: -55.23020170359011
Energy: -6.328729131018814
Energy: 12.389617540500069
Energy: -6.3287291310266545
Energy: -55.71740873428359
Energy: -6.328729131018814
Energy: 12.4035458091817
Energy: -2.649407327329878
Energy: -55.696243455642
Energy: -2.649407327329878
Energy: 12.403551783764136
Energy: -2.649407327329878
Energy: 12.644077462306676
Energy: -5.754421954975773
Energy: 12.30030292049247
Energy: -5.7544219548447195
Energy: 12.644077565252031
Energy: -5.754421954821757
Energy: 12.415805531768378
Energy: 0.05837099262364157
Energy: 12.277451267009228
Energy: 0.058370992631202386
Energy: 12.415805531776217
Energy: 0.058370992631202386
Energy: -54.90976277344913
Energy: -5.412352874019996
Energy: 12.392097981149613
Energy: -5.4123528740351174
Energy: -53.936648075294244
Energy: -5.412352874027556
Energy: -54.04572231779899
Energy: -2.9059958272854916
Energy: 12.155209750821765
Energy: -2.90599582727009
Energy: -67.54491733218316
Energy: -2.90599582727009
Energy: 11.82484559614956
Energy: -3.685669544500836
Energy: 12.369644757583163
Energy: -3.685669544500836
Energy: 11.824845596495958
Energy: -3.685669544500836
Energy: 12.15133593468962
Energy: -0.2144471712640866
Energy: 12.359250126466327
Energy: -0.21444717124868493
Energy: 12.151344083284553
Energy: -0.21444717124868493
Energy: 12.684099112651301
Energy: -2.9804370561261817
Energy: 12.415535800128971
Energy: -2.9804370561261817
Energy: 12.684099112659142
Energy: -2.9804370561261817
Energy: 12.354349802305899
Energy: -2.835231990659669
Energy: -54.37765311100348
Energy: -2.835231990659669
Energy: 12.354349853686166
Energy: -2.8352319906521077
Energy: 12.153476116644182
Energy: 0.044932383329935564
Energy: 12.370338265043678
Energy: 0.04493238332237474
Energy: 12.153476099748264
Energy: 0.04493238332237474
Energy: 12.150213973422561
Energy: -3.7703952075454206
Energy: 12.355838974562754
Energy: -3.7703952075070575
Energy: 12.150203799221192
Energy: -3.7703952075146177

minimum gb energy = -67.54491733218316 eV
minimum distance =  2.86039464372788 Angstroms
sigma value = 41


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

Energy: 6.035260224787691
Energy: 7.215090354941865
Energy: -4.830548398516284
Energy: 7.215090354941865
Energy: 6.03526032944716
Energy: 7.215090354948045
Energy: 4.379498049541219
Energy: 1.1154266291931734
Energy: 3.967293974502087
Energy: 1.1154266291931734
Energy: 4.379490032335523
Energy: 1.1154266291931734
Energy: -4.623222181216549
Energy: 6.872433632884328
Energy: 5.343983054162645
Energy: 6.872433632890507
Energy: -4.623222180804039
Energy: 6.872433632890507
Energy: 1.5243310844177207
Energy: 0.961270066523329
Energy: 3.8951114742337207
Energy: 0.961270066523329
Energy: 2.4127265988880255
Energy: 0.9612700665171491
Energy: -2.442712838520532
Energy: 5.184101082625499
Energy: 5.520078303520852
Energy: 5.184101082625499
Energy: -2.44271283854481
Energy: 5.184101082625499
Energy: 4.962989791316154
Energy: 2.2921256174697864
Energy: 3.8952139499614726
Energy: 2.292125617475746
Energy: 4.962989791431586
Energy: 2.292125617475746
Energy: -1.0983355623371511
Energy: 6.572998313103079
Energy: 4.0291176905836315
Energy: 6.572998313109038
Energy: -1.0983355623066928
Energy: 6.572998313115218
Energy: -4.621729894268998
Energy: 7.08791524841021
Energy: 6.063086072828136
Energy: 7.08791524841021
Energy: -4.621729894614853
Energy: 7.08791524841021
Energy: 3.0405827882599787
Energy: 5.091817907766317
Energy: -25.879684230430204
Energy: 5.091817907766317
Energy: 3.0405827882599787
Energy: 5.091817907766317
Energy: -1.2398856442256427
Energy: 6.735761315788003
Energy: 10.261064185248927
Energy: 6.735761315782044
Energy: -1.2398856602360644
Energy: 6.735761315782044
Energy: 0.8687179411613704
Energy: 6.755032433074582
Energy: 6.192237151595204
Energy: 6.755032433068402
Energy: 0.8687178619642982
Energy: 6.755032433068402
Energy: 5.446243102623146
Energy: 6.964818588850481
Energy: 6.05215945739878
Energy: 6.964818588844302
Energy: 5.446243102635286
Energy: 6.937210578313342
Energy: 3.045932049144824
Energy: 3.7462307899514626
Energy: 1.3678874870481652
Energy: 3.7462307899514626
Energy: 3.0459320491205455
Energy: 3.7462307899514626
Energy: 3.9238483595318847
Energy: 7.2461661774293535
Energy: 4.0750533716224675
Energy: 7.246166177435311
Energy: 3.9238483595440234
Energy: 7.2461661774293535
Energy: 4.983039862550302
Energy: 2.3641566969187147
Energy: 4.082723009424688
Energy: 2.364156696924674
Energy: 4.983039817970965
Energy: 2.364156696924674
Energy: 4.067408345118555
Energy: 7.228562780989939
Energy: 3.9449654257372075
Energy: 7.228562780983759
Energy: 4.0674083451123755
Energy: 7.167317493324639
Energy: 0.7251247056568745
Energy: -2.190283326101977
Energy: 5.508081944698568
Energy: -2.1902833259017913
Energy: 0.9953839488553843
Energy: -2.190283326089838
Energy: 7.023926163268619
Energy: 7.309197785117359
Energy: 5.3284944259365385
Energy: 7.309197785129278
Energy: 7.024235664067236
Energy: 7.309197785129278
Energy: 3.3234769624080136
Energy: -2.9011253633396774
Energy: 3.9002903306100087
Energy: -2.901125363333718
Energy: 3.3728637172699423
Energy: -2.901125363376095
Energy: 10.359927679641581
Energy: 7.1491808322109
Energy: 5.85083796420766
Energy: 7.149180832247318
Energy: 10.359927679659679
Energy: 7.095562803580807
Energy: 8.031713316313674
Energy: 1.3977318077280858
Energy: 4.8155120893638115
Energy: 1.3977318077280858
Energy: 8.031713316259157
Energy: 1.3977318077280858
Energy: 7.111259585175947
Energy: 7.223124160348838
Energy: 5.32795530597441
Energy: 7.223124160342658
Energy: 6.714213485962327
Energy: 7.223124160342658
Energy: 5.021981000266851
Energy: 1.007368941856497
Energy: 3.9562068495831135
Energy: 1.007368941771523
Energy: 5.021981000224474
Energy: 1.0073689418079403
Energy: 4.04428757452012
Energy: 3.3106628297446927
Energy: 5.5578130598288755
Energy: 3.310662829762791
Energy: 4.044287574550356
Energy: 2.6516413075994674
Energy: 5.5557141824844996
Energy: 2.254746634654214
Energy: 3.8854958047425088
Energy: 2.254746634660173
Energy: 5.5557141824906795
Energy: 2.254746634660173
Energy: 4.0423451775083015
Energy: 2.2524834113066743
Energy: 4.0702438349121906
Energy: 3.5459262129724096
Energy: 4.042345177489982
Energy: 0.92740589777122
Energy: -4.601519041530726
Energy: 7.136309917543349
Energy: 5.426886723186007
Energy: 7.136309917549529
Energy: -4.601519036513289
Energy: 7.136309917591904
Energy: 5.395604954815719
Energy: 3.3147288812432394
Energy: 1.3697853837310991
Energy: 3.3147288812734765
Energy: 5.395604954815719
Energy: 3.2948763808245745
Energy: 5.911241133612163
Energy: 6.6169390995674915
Energy: 10.29004286723323
Energy: 6.616939099585809
Energy: 5.911241131064046
Energy: 6.6169390995736705
Energy: 3.9155951080937696
Energy: 2.7506717708021045
Energy: 6.196672349204494
Energy: 4.55382366356616
Energy: 3.915595108105909
Energy: 2.750671770796145
Energy: 5.408558291149061
Energy: 6.9372974032635994
Energy: 5.50644500619508
Energy: 6.937297403245281
Energy: 5.408558291149061
Energy: 6.9372974032635994
Energy: 5.522133634885937
Energy: 3.806979325233553
Energy: 1.6306281090766679
Energy: 3.806979325233553
Energy: 5.522133634885937
Energy: 3.8069793252273736
Energy: 3.9424673202824634
Energy: 7.239918593564439
Energy: 3.9648373852320233
Energy: 7.239918593564439
Energy: 3.942467320312701
Energy: 7.239918593564439

minimum gb energy = -25.879684230430204 eV
minimum distance =  2.82421473628035 Angstroms
sigma value = 33


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

Energy: -7.361154855232941
Energy: 0.14802885548572872
Energy: -16.796279208890166
Energy: 0.14802885546001573
Energy: -7.381375966969722
Energy: 0.14802885547302713
Energy: -17.762014569785674
Energy: -6.028655414021892
Energy: -16.991109037855548
Energy: -6.028655414511369
Energy: -17.76522424099424
Energy: -6.02865541397914
Energy: -7.673743112921625
Energy: 0.11802920853420884
Energy: -10.402803135920374
Energy: 0.11802920854691047
Energy: -7.673743112747211
Energy: 0.11802920854691047
Energy: -19.284056449369537
Energy: -6.600518697677831
Energy: -16.995543723516
Energy: -6.600518697788427
Energy: -19.27735390500813
Energy: -6.60051869772461
Energy: -21.619724511342724
Energy: -1.5741015471724877
Energy: -10.45899340515075
Energy: -1.5741015471684603
Energy: -21.619724497360117
Energy: -1.574101547176825
Energy: -17.431362625869617
Energy: -3.6475959921196885
Energy: -17.01259301636726
Energy: -3.6475959921237164
Energy: -17.43136262592941
Energy: -3.6475959921280534
Energy: -24.689754331320387
Energy: -2.289922718565401
Energy: -16.964028199031276
Energy: -2.2899227185740756
Energy: -24.689755851076242
Energy: -2.2899227185740756
Energy: -13.529895591097025
Energy: -1.1088393305696447
Energy: -14.987277534192625
Energy: -1.1088393305866833
Energy: -13.52989559161655
Energy: -1.108839330578009
Energy: -23.370691115382588
Energy: -2.164716167421877
Energy: -17.365250918355567
Energy: -2.1647161674345785
Energy: -23.370691115284696
Energy: -2.164716167438916
Energy: -10.638328745176997
Energy: -2.3711468660856356
Energy: -11.308194737535397
Energy: -2.3711468661280772
Energy: -10.638328745181024
Energy: -2.371146866102675
Energy: -17.367015480438777
Energy: -2.511453875203024
Energy: -11.620790814540415
Energy: -2.5114538751986872
Energy: -17.367015497759436
Energy: -2.5114538751986872
Energy: -20.30147270443571
Energy: -0.19126996926208203
Energy: -7.7403742876563095
Energy: -0.19126996926641915
Energy: -20.30150373943526
Energy: -0.19126996926641915
Energy: -14.976251262970269
Energy: -1.5931574473220105
Energy: -11.908871423172204
Energy: -1.5931574473263475
Energy: -14.976251262965931
Energy: -1.5931574473220105
Energy: -9.10246552863221
Energy: -0.8514515886972485
Energy: -18.497772642693427
Energy: -0.8514515887099503
Energy: -9.102465528615172
Energy: -0.8514515887015857
Energy: -18.811441792376485
Energy: -0.8542635251044631
Energy: -18.538381422260223
Energy: -0.8542635251001259
Energy: -18.81187860677529
Energy: -0.8542635250957888
Energy: -17.418220987900458
Energy: -0.13500479394273293
Energy: -7.795293491938418
Energy: -0.1350047939383958
Energy: -17.418220964188723
Energy: -0.13500479393405865
Energy: -20.568624362543826
Energy: -1.2869069994368707
Energy: -18.971076667386853
Energy: -1.2869069994368707
Energy: -20.568624363216394
Energy: -1.286906999440898
Energy: -16.96825040041548
Energy: -0.3332019075796374
Energy: -11.318118158115993
Energy: -0.3332019075796374
Energy: -16.968250400406806
Energy: -0.33320190758397455
Energy: -20.15798186019784
Energy: -3.2370929686881826
Energy: -11.56885780843413
Energy: -3.237092968705221
Energy: -20.157981889534213
Energy: -3.237092968705221
Energy: -15.119827982286495
Energy: -0.525210332461234
Energy: -15.370513380941054
Energy: -0.5252103324652613
Energy: -15.1198279823119
Energy: -0.5252103324652613
Energy: -19.9450525593198
Energy: -3.287191561253729
Energy: -16.55429962753437
Energy: -3.287191561274795
Energy: -19.944493895769302
Energy: -3.2871915612707676
Energy: -14.996098597002117
Energy: -0.9564073312099785
Energy: -17.010753128461516
Energy: -0.9564073311929397
Energy: -14.996098596972065
Energy: -0.9564073311972767
Energy: -18.645383733468393
Energy: -5.304312874144499
Energy: -16.96583982828739
Energy: -5.304312874169903
Energy: -18.621161785023496
Energy: -5.304312874106085
Energy: -6.1122348565520666
Energy: -0.39401721670571027
Energy: -16.965880139150364
Energy: -0.39401721670571027
Energy: -6.112234856543703
Energy: -0.39401721670168294
Energy: -17.047642768786172
Energy: -3.790010306010178
Energy: -17.407785054600986
Energy: -3.790010306027218
Energy: -17.031643819794073
Energy: -3.7900103060228805
Energy: -8.267768608580866
Energy: -0.7313079067784374
Energy: -10.383343735530152
Energy: -0.7313079067998133
Energy: -8.26882370390365
Energy: -0.7313079067954762
Energy: -6.597627201439839
Energy: -4.631836474524746
Energy: -16.969416933502632
Energy: -4.631836474537448
Energy: -6.559928642894784
Energy: -4.631836474533111
Energy: -9.995608625550938
Energy: -0.14214279314253686
Energy: -8.90342211801855
Energy: -0.14214279312983527
Energy: -9.993398419106846
Energy: -0.14214279312983527
Energy: -19.059495666988788
Energy: -3.304133275196389
Energy: -17.417779209663138
Energy: -3.304133275196389
Energy: -19.073517143407575
Energy: -3.3041332751920516
Energy: -8.971019421772748
Energy: -0.10195032262728715
Energy: -16.277673234654156
Energy: -0.10195032263162428
Energy: -8.96289144798765
Energy: -0.10195032263162428
Energy: -17.24608216905818
Energy: -4.088895074480946
Energy: -16.98817809374725
Energy: -4.088895074472272
Energy: -17.24608059588835
Energy: -4.088895074472272
Energy: -6.06485403183383
Energy: -1.3017560501887273
Energy: -10.539297346099547
Energy: -1.3017560502695837
Energy: -6.064854031850869
Energy: -1.3017560502909598
Energy: -17.171494412906046
Energy: -4.05394707852833
Energy: -15.149146437059992
Energy: -4.0539470785366944
Energy: -17.17149441168824
Energy: -4.0539470785323575
Energy: -15.18992189370499
Energy: -1.201624991193236
Energy: -20.018777293096353
Energy: -1.201624991193236
Energy: -15.189921893709325
Energy: -1.201624991197573
Energy: -19.2911430737037
Energy: -1.1977000241851619
Energy: -15.158470985371574
Energy: -1.1977000241851619
Energy: -19.291152749578497
Energy: -1.1977000241767974
Energy: -15.157284749130335
Energy: -4.057795652608562
Energy: -16.953400608130536
Energy: -4.0577956526042245
Energy: -15.157284749126308
Energy: -4.0577956526042245
Energy: -10.532843853271629
Energy: -1.3015864286244863
Energy: -6.367706566630339
Energy: -1.3015864286288232
Energy: -10.532843853293004
Energy: -1.3015864286415249
Energy: -16.95316703647885
Energy: -4.057681877932674
Energy: -17.25035446642233
Energy: -4.057681877902932
Energy: -16.953167036495888
Energy: -4.05768187790727
Energy: -16.27767323476041
Energy: -0.10122328048614995
Energy: -8.987578355347143
Energy: -0.10122328049885156
Energy: -16.277673234752047
Energy: -0.10122328049451443
Energy: -14.143375201458882
Energy: -3.276981354233039
Energy: -18.9479876153515
Energy: -3.276981354237376
Energy: -14.143375201441845
Energy: -3.276981354237376
Energy: -8.907758162271403
Energy: -0.14500985205249053
Energy: -10.047692357064545
Energy: -0.14500985205651787
Energy: -8.907758162360622
Energy: -0.14500985205249053
Energy: -16.9983342962265
Energy: -4.63845839681943
Energy: -6.703628582741185
Energy: -4.638458396815093
Energy: -16.9983342962265
Energy: -4.638458396815093
Energy: -10.38483859642688
Energy: -0.7208083349216504
Energy: -8.258371456752572
Energy: -0.7208083349176231
Energy: -10.384838596443918
Energy: -0.7208083349176231
Energy: -14.155023213589343
Energy: -3.7784962905340604
Energy: -16.35541961057702
Energy: -3.7784962905340604
Energy: -14.15502321359368
Energy: -3.7784962905340604
Energy: -16.994218064262526
Energy: -0.39716180430884973
Energy: -6.065663123777815
Energy: -0.3971618043302256
Energy: -16.994218064249512
Energy: -0.39716180432155135
Energy: -16.9730386740648
Energy: -5.304312874123124
Energy: -18.60458387001267
Energy: -5.3043128741317975
Energy: -16.97303867403475
Energy: -5.304312874106085
Energy: -17.00056905219006
Energy: -0.9587112149087235
Energy: -15.331964465710804
Energy: -0.9587112149214251
Energy: -17.000569052203073
Energy: -0.9587112149300994

minimum gb energy = -24.689755851076242 eV
minimum distance =  2.84613279138385 Angstroms
sigma value = 67


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

Energy: -15.72243290113247
Energy: -23.97588609818457
Energy: -40.94870057426649
Energy: -23.975886098190266
Energy: -15.72243753365996
Energy: -23.97588609818742
Energy: -24.01925510943764
Energy: -40.06938437034647
Energy: -5.554946640541259
Energy: -40.06938437038064
Energy: -24.020642108706205
Energy: -40.06938437029238
Energy: -15.722439040052421
Energy: -23.97588609818457
Energy: -40.94870745201408
Energy: -23.975886098181725
Energy: -15.722433824922199
Energy: -23.975886098178876
Energy: -24.02049856907954
Energy: -40.06938437034932
Energy: -5.555707331962456
Energy: -40.06938437037778
Energy: -24.019199377124252
Energy: -40.06938437022406
Energy: -15.722437018068138
Energy: -23.97588609818457
Energy: -40.94812910656592
Energy: -23.975886098190266
Energy: -15.722434794420925
Energy: -23.975886098181725
Energy: -24.019489933086803
Energy: -40.06938437036071
Energy: -5.555127082591974
Energy: -40.069384370400556
Energy: -24.018824277044967
Energy: -40.06938437032654
Energy: -15.723618732859054
Energy: -23.975886098190266
Energy: -40.948931890195354
Energy: -23.975886098181725
Energy: -15.722431842070877
Energy: -23.97588609818457

minimum gb energy = -40.948931890195354 eV
minimum distance =  2.90100337703692 Angstroms
sigma value = 3


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

Energy: -1.454019264682339
Energy: -55.97751877584428
Energy: -24.156884959509238
Energy: -55.605728498840925
Energy: -1.454019265294308
Energy: -55.65125119367847
Energy: -27.907678564351436
Energy: -23.358659658463854
Energy: -52.763967665636216
Energy: -23.358659678619667
Energy: -27.90616500685009
Energy: -23.358659630942714
Energy: -48.24329058743716
Energy: -6.412974825451016
Energy: -30.473434184694497
Energy: -6.4129748254084715
Energy: -48.25257521544728
Energy: -6.412974825412416
Energy: -48.383781954637094
Energy: -54.31877780462779
Energy: -50.660356980585796
Energy: -53.32707835970801
Energy: -45.66996073246123
Energy: -54.13252588056205
Energy: -48.77155093053239
Energy: -63.70018592727088
Energy: -16.89279495105692
Energy: -63.87416462566197
Energy: -48.741543189317014
Energy: -74.0560600681307
Energy: -47.3197866042269
Energy: -59.664208523892746
Energy: -33.511991200600065
Energy: -59.75900441888164
Energy: -47.31808467314831
Energy: -59.735991760238825
Energy: -45.259300483059036
Energy: -60.47576758032895
Energy: -50.943253742653546
Energy: -60.547219138601136
Energy: -45.25094153192893
Energy: -60.50720832723659
Energy: -29.256322962644347
Energy: -53.75839739059852
Energy: -35.289891221219065
Energy: -63.42989455092157
Energy: -29.289930637637507
Energy: -53.75269979081197
Energy: -57.20436536766956
Energy: -51.63832116570072
Energy: -55.57785512523143
Energy: -51.63450535311971
Energy: -57.200839710106976
Energy: -51.638434652823605
Energy: -15.464985707977332
Energy: -51.7226873871601
Energy: -49.83686304755111
Energy: -52.55732239157766
Energy: -15.467919619038174
Energy: -52.55831077773208
Energy: -53.928174632568386
Energy: -48.31411715829524
Energy: -55.05515411647609
Energy: -47.80794592629153
Energy: -53.92749320518192
Energy: -48.321790853031565
Energy: -16.723155674862124
Energy: -56.69722785521705
Energy: -50.54877088075485
Energy: -62.82089737134316
Energy: -16.69811346120751
Energy: -57.44165586827982
Energy: -55.12518640581022
Energy: -41.18118290440516
Energy: -36.430442118631625
Energy: -41.18275112165144
Energy: -55.14180568716453
Energy: -40.13799614480302
Energy: -32.855525957267545
Energy: -59.01521559700442
Energy: -55.45683440775133
Energy: -59.029726168933806
Energy: -32.85638570246448
Energy: -59.005248626452804
Energy: -42.783587473101356
Energy: -43.46861155127098
Energy: -51.43550983146239
Energy: -43.66986311963503
Energy: -42.78328924026538
Energy: -43.469491898493594
Energy: -48.34401635574767
Energy: -33.45689747968669
Energy: -52.110242050503714
Energy: -60.6632767632376
Energy: -48.34468140085579
Energy: -33.456867042016874
Energy: -57.913374734614635
Energy: -36.09881665101371
Energy: -54.129845765392226
Energy: -36.09881594302378
Energy: -57.71127952414757
Energy: -36.0988196886858
Energy: -46.16986719213992
Energy: -7.3657875730351545
Energy: -53.77346132915712
Energy: -7.36578757303121
Energy: -46.14025478723404
Energy: -7.3657875730351545
Energy: -34.71808480927083
Energy: -7.116927743631785
Energy: -54.324716593343894
Energy: -7.116927743697716
Energy: -34.72265665040545
Energy: -7.116927743647282
Energy: -38.157231128541866
Energy: -31.353862428616328
Energy: -54.31708043967386
Energy: -7.561775265702086
Energy: -38.15831892984593
Energy: -31.351784482835615
Energy: -33.52455852205469
Energy: -59.060604756850864
Energy: -56.18771550610792
Energy: -59.06067496206133
Energy: -33.57759748566892
Energy: -59.06060856763886
Energy: -51.4979291957633
Energy: -45.03708633278565
Energy: -55.64658163922085
Energy: -45.03818675820181
Energy: -51.52582859215095
Energy: -45.03599595813654
Energy: -55.12099068587245
Energy: -31.79629389633559
Energy: -55.01345915343085
Energy: -31.796294484482704
Energy: -55.12144933590996
Energy: -31.796293892107034
Energy: -50.747906601372684
Energy: -36.74851405536671
Energy: -35.84859794977382
Energy: -5.486566603601525
Energy: -50.844853279453844
Energy: -36.74522387780517
Energy: -49.798471510771186
Energy: -45.22678582560191
Energy: -17.795239052522504
Energy: -45.22691030327524
Energy: -49.796182921957985
Energy: -45.22620396794336
Energy: -54.40115011865486
Energy: -37.10582071487673
Energy: -42.609204164940124
Energy: -36.78260283724957
Energy: -54.40045949616093
Energy: -36.79198565654299
Energy: -47.77742316240206
Energy: -7.218452453424217
Energy: -33.75755598552455
Energy: -7.218452453424217
Energy: -48.407449950800945
Energy: -7.218452453459156
Energy: -55.12552833264938
Energy: -6.098438307763938
Energy: -49.959020982596755
Energy: -6.0984383076943445
Energy: -55.54271213750674
Energy: -6.0984383076633515
Energy: -46.955769798572504
Energy: -63.92610239311706
Energy: -33.70269446091981
Energy: -63.92504132329616
Energy: -46.94429234703561
Energy: -63.92454038840619
Energy: -41.98174431299919
Energy: -30.83342640425481
Energy: -48.463373685485344
Energy: -30.833428831436432
Energy: -42.832900969484484
Energy: -30.833393363163037
Energy: -49.334234441723765
Energy: -37.25157257860321
Energy: -42.72621418099598
Energy: -37.251591717030664
Energy: -47.332847157580524
Energy: -37.25157414510663
Energy: -53.771784634240845
Energy: -6.2646804588037925
Energy: -42.0180162129766
Energy: -6.264680458784634
Energy: -53.77091261733869
Energy: -6.264680458831123
Energy: -52.26983375986863
Energy: -55.61420562964176
Energy: -49.20423181030289
Energy: -55.61705162665553
Energy: -52.5156067262427
Energy: -55.6211446953772
Energy: -54.40428209163087
Energy: -8.417326358450545
Energy: -30.999046719814206
Energy: -8.417326358450545
Energy: -54.40776071505949
Energy: -8.417326358423498
Energy: -47.75769667758701
Energy: -5.375233710571441
Energy: -53.800308516699594
Energy: -5.375233710536504
Energy: -47.797683620557684
Energy: -5.3752337106565315
Energy: -55.14949206848789
Energy: -6.939279581517816
Energy: -55.76962913394018
Energy: -6.939279581494432
Energy: -55.15139942153522
Energy: -6.939279580851751
Energy: -55.157558055142935
Energy: -75.52656687058932
Energy: -49.75773033999897
Energy: -75.52631377225377
Energy: -55.15974008254398
Energy: -75.51946442001606
Energy: -47.19776736537866
Energy: -8.33216215371368
Energy: -28.098524558857132
Energy: -8.33216215366719
Energy: -47.20643122139822
Energy: -8.332162153663246
Energy: -52.035341138096605
Energy: -63.922457775402506
Energy: -49.77378438446185
Energy: -63.92471273073304
Energy: -52.032646396359354
Energy: -63.92298545258712
Energy: -56.9748195992931
Energy: -63.220958186630014
Energy: -54.70609625461893
Energy: -63.21741886582138
Energy: -56.974837690586455
Energy: -63.2328326378786
Energy: -33.5593078911846
Energy: -48.78233451813277
Energy: -54.30005115363768
Energy: -48.783662791042524
Energy: -33.55401938837927
Energy: -48.78305603409291
Energy: -51.297273844442394
Energy: -60.578655429037326
Energy: -53.82223705461438
Energy: -60.542543302738466
Energy: -51.301737567114294
Energy: -60.573631076976156
Energy: -33.95899345382725
Energy: -60.47388415644245
Energy: -53.71149879665489
Energy: -60.47173403535509
Energy: -33.96038470481347
Energy: -60.46417563756281
Energy: -58.411569208451844
Energy: -53.77018146852891
Energy: -52.754094624437805
Energy: -53.77020969304063
Energy: -58.41173102988017
Energy: -53.77391205544568
Energy: -49.156307249648506
Energy: -47.30558710084911
Energy: -54.31878551154922
Energy: -47.54616198670709
Energy: -49.1828542174088
Energy: -47.544806406659724
Energy: -53.340571353333424
Energy: -36.67752550208874
Energy: -53.504369227425045
Energy: -36.673732014074865
Energy: -53.34336681350519
Energy: -36.67335200988133
Energy: -46.676316541589664
Energy: -7.433646643329246
Energy: -54.61443504952659
Energy: -7.433646643325302
Energy: -46.67505180486545
Energy: -7.433646643309805
Energy: -52.96368947292231
Energy: -61.49390465298129
Energy: -53.632374615295575
Energy: -61.493904907417026
Energy: -52.96386073286149
Energy: -61.493903489238065
Energy: -33.762314504387454
Energy: -38.097112850243505
Energy: -54.329635154898455
Energy: -38.07712021897669
Energy: -33.76006086658865
Energy: -38.11973505782617
Energy: -57.55012491166
Energy: -56.73621951685536
Energy: -47.815787697467954
Energy: -56.73561558977768
Energy: -57.53701196501017
Energy: -56.73360105141739
Energy: -16.516122897410405
Energy: -7.241113115960849
Energy: -49.84105846599576
Energy: -7.241113116018891
Energy: -16.575427160847013
Energy: -7.2411131160112845

minimum gb energy = -75.52656687058932 eV
minimum distance =  2.83753568743421 Angstroms
sigma value = 81


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

Energy: -25.469382833149204
Energy: 2.1010547426747115
Energy: -37.40849028730095
Energy: 2.1010547426482225
Energy: -25.13543552172962
Energy: 2.1010547426482225
Energy: -6.40778074606668
Energy: -37.38667562098989
Energy: -40.46167008139656
Energy: -37.38667533261881
Energy: -6.598580343826929
Energy: -37.38667561819963
Energy: -24.690995759669622
Energy: -0.5100840840144337
Energy: -28.51765212281578
Energy: -0.510084084025068
Energy: -24.687263680299058
Energy: -0.510084084025068
Energy: -28.664259119099444
Energy: -26.690258268027332
Energy: -25.68548631346457
Energy: -26.690316237390267
Energy: -28.669535558557868
Energy: -26.690018379034925
Energy: -25.68815224333767
Energy: 0.07008525311029454
Energy: -34.19108846967095
Energy: 0.07008525312634271
Energy: -25.688152917537213
Energy: 0.07008525312092886
Energy: -29.2232789111307
Energy: -1.1345859684854491
Energy: -28.127521349417474
Energy: -1.134585968490863
Energy: -29.222972675655566
Energy: -1.134585968490863
Energy: -25.76894951628314
Energy: -0.17026205997323599
Energy: -38.5958384383446
Energy: -0.17026205999431132
Energy: -25.76893569362965
Energy: -0.17026205989879556
Energy: -34.176514266555415
Energy: 0.4029273246671765
Energy: -25.78887347964866
Energy: 0.4029273246671765
Energy: -34.176512499816745
Energy: 0.4029273246671765
Energy: -25.561455670470185
Energy: -35.460951755769585
Energy: -23.943382952128122
Energy: -35.43923135813868
Energy: -25.56145573510881
Energy: -35.620002554661006
Energy: -30.50313175020559
Energy: -24.58873083275447
Energy: -28.784644090024102
Energy: -24.587631691706093
Energy: -30.503183917155948
Energy: -24.587625192271904
Energy: -28.384046458482945
Energy: -39.325353118235746
Energy: -25.371848318254415
Energy: -39.32331812784587
Energy: -28.384046493815834
Energy: -39.32388433655221
Energy: -28.654092941618163
Energy: -0.4103693895372313
Energy: -27.160277725475265
Energy: -0.4103693895372313
Energy: -28.654066818425356
Energy: -0.4103693895372313
Energy: -34.30642824532136
Energy: -37.46377746461171
Energy: -23.03289365870212
Energy: -37.46144153143183
Energy: -34.3064281884315
Energy: -37.462603334225996
Energy: -28.599833401246585
Energy: -0.9865481287038872
Energy: -29.66686517792577
Energy: -0.9865481286773979
Energy: -28.60508035702664
Energy: -0.9865481286932527
Energy: -32.7783532750448
Energy: -33.202933451808825
Energy: -27.554450578737946
Energy: -33.2027393980733
Energy: -32.77833296770058
Energy: -33.20283551901832
Energy: -25.744502670450466
Energy: 0.7217547640271069
Energy: -25.815776366553134
Energy: 0.7217547640323274
Energy: -25.744794732404348
Energy: 0.7217547640323274
Energy: -28.09416107891656
Energy: -1.1492202135913343
Energy: -34.18413748574461
Energy: -1.1492202136073824
Energy: -28.089739348743294
Energy: -1.1492202136073824
Energy: -38.515348000819024
Energy: -26.947056237353717
Energy: -28.14065950820731
Energy: -26.954107247813536
Energy: -38.51210643554206
Energy: -26.708381251056913
Energy: -38.49482763118477
Energy: -1.889236724652446
Energy: -27.542060777568487
Energy: -1.889236724583226
Energy: -38.49607649557919
Energy: -1.88923672466308
Energy: -27.753435539957792
Energy: -33.676766264000655
Energy: -25.73322906036108
Energy: -33.36136379288562
Energy: -28.143638525574072
Energy: -33.66753163801465
Energy: -34.564778379647514
Energy: 0.48927524330354594
Energy: -27.710396727773542
Energy: 0.48927524331940087
Energy: -34.566409693604705
Energy: 0.4892752433248147
Energy: -24.14525704286118
Energy: -34.617352863215444
Energy: -28.58951206671831
Energy: -34.61720162950658
Energy: -24.149746164849862
Energy: -34.617081246876026
Energy: -33.836820184394846
Energy: -31.59584292767668
Energy: -28.614518561829595
Energy: -31.596092875352255
Energy: -33.69176396918871
Energy: -31.660537297350622
Energy: -28.562153464170308
Energy: 0.9144621057702519
Energy: -33.36840128696623
Energy: 0.9144621057754724
Energy: -28.56163875575085
Energy: 0.914462105812596
Energy: -34.96168562639274
Energy: 1.2017065280686006
Energy: -25.72877285652391
Energy: 1.20170652806338
Energy: -34.964431460329266
Energy: 1.2017065280579662
Energy: -24.26958083531891
Energy: -34.201294856579025
Energy: -35.49091575377034
Energy: -34.20339742141214
Energy: -24.256635254963584
Energy: -34.20156343035409
Energy: -38.65312470694554
Energy: -1.6155098568055566
Energy: -25.75891914233635
Energy: -1.6155098389000302
Energy: -38.22472421397991
Energy: -1.6155098321394885
Energy: -25.679914626848895
Energy: -34.76625345631753
Energy: -23.804560220282788
Energy: -34.76769114980241
Energy: -25.68276188649077
Energy: -34.76718261750664
Energy: -27.782960013544447
Energy: 0.8173498676108671
Energy: -24.655846402409523
Energy: 0.817349867616281
Energy: -27.782959067853614
Energy: 0.817349867616281
Energy: -28.600430771139912
Energy: -33.25322315496621
Energy: -24.68159985534226
Energy: -33.25458233142944
Energy: -28.599423458789985
Energy: -33.20293451739646
Energy: -28.655363209887284
Energy: -34.1265869060082
Energy: -31.997971769021877
Energy: -34.876291187885734
Energy: -28.655363608088894
Energy: -34.59739464332964
Energy: -34.305340884890775
Energy: -30.79996487036744
Energy: -27.00244382282275
Energy: -30.80110659842005
Energy: -34.305320532365485
Energy: -30.80076456150327
Energy: -28.654802906222457
Energy: -0.29813929973542413
Energy: -30.647255898908764
Energy: -0.29813929971937597
Energy: -28.654802888417855
Energy: -0.29813929971937597
Energy: -28.284278794865912
Energy: -39.32249167611734
Energy: -25.675961921340853
Energy: -39.32317217593198
Energy: -28.281618117659175
Energy: -39.32240924023598
Energy: -30.502884902420053
Energy: 0.8545478787557387
Energy: -28.771408847495685
Energy: 0.8545478787503249
Energy: -30.50291477177297
Energy: 0.8545478787557387
Energy: -25.40098907935497
Energy: -41.33373243433966
Energy: -27.011250366382498
Energy: -41.43124798961489
Energy: -25.400986997655306
Energy: -36.62495107310975
Energy: -34.1621981273257
Energy: -0.21494967532132309
Energy: -24.2332004586426
Energy: -0.21494967532132309
Energy: -34.16219812582703
Energy: -0.21494967531590925
Energy: -27.77767169712089
Energy: -1.1479036012785477
Energy: -28.80937961029723
Energy: -1.1479036012679131
Energy: -27.777620244412045
Energy: -1.1479036012731336

minimum gb energy = -41.43124798961489 eV
minimum distance =  2.80720346315225 Angstroms
sigma value = 43


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

Energy: 17.964348290433392
Energy: 3.379171003120916
Energy: 10.71281485365594
Energy: 3.3791710031470403
Energy: 17.964348290439922
Energy: 3.379171003160103
Energy: 1.730056886939226
Energy: -5.742704685802787
Energy: 11.571685150324967
Energy: -5.7423686904961055
Energy: 2.398479024959285
Energy: -5.742707452022929
Energy: 10.28507816193389
Energy: 4.850390645817574
Energy: 9.69341430144512
Energy: 4.850390645824105
Energy: 10.285078161960014
Energy: 4.850390645824105
Energy: -9.535352129541355
Energy: -1.6240380360031277
Energy: 11.577862003836383
Energy: -1.6240380360031277
Energy: -9.538903490116821
Energy: -1.6240380360031277
Energy: 11.627702057880132
Energy: 4.849526992780396
Energy: 10.085361655777922
Energy: 4.849526992780396
Energy: 11.627702057880132
Energy: 4.849526992780396
Energy: 10.04434532388675
Energy: 2.0809369030706497
Energy: 11.59864131712522
Energy: 2.0809369029466755
Energy: 10.044345323880219
Energy: 2.0809369028029896
Energy: 11.583441313722796
Energy: 4.285186713777365
Energy: 11.65095808142898
Energy: 4.285186713777365
Energy: 11.583441313729326
Energy: 4.285186713777365
Energy: 7.89321676684187
Energy: 3.2641895721285885
Energy: 10.389501109241637
Energy: 3.264189572148182
Energy: 7.8932167668484015
Energy: 3.264189572148182
Energy: 10.1183056999579
Energy: 0.1632975309441122
Energy: 2.4999254871986447
Energy: 0.16329753132933378
Energy: 10.1183056999579
Energy: 0.16329753035001124
Energy: 10.033515246480441
Energy: 4.292579198448241
Energy: 10.124891884272548
Energy: 4.2925791984546535
Energy: 10.033515246447786
Energy: 4.2925791984546535
Energy: 11.600254221903972
Energy: 1.9976035351632697
Energy: 11.59536410991691
Energy: 1.9976035956675209
Energy: 11.600254221903972
Energy: 1.9976034930166562
Energy: 10.143178494477375
Energy: 2.305982624969679
Energy: 10.38897742071737
Energy: 2.3059826249762105
Energy: 10.14317849445778
Energy: 2.305982624956617
Energy: 10.098252324688293
Energy: -1.611507100119172
Energy: 10.446107841111838
Energy: -1.611507100119172
Energy: 10.098252324694824
Energy: -1.611507100119172
Energy: 11.643223766352843
Energy: 5.939747618708855
Energy: 11.640341090176149
Energy: 5.939747618695794
Energy: 11.643223766346312
Energy: 5.939747618695794
Energy: 11.580515398609139
Energy: 2.966033358839679
Energy: 10.067961149942853
Energy: 2.966033358839679
Energy: 11.580515398609139
Energy: 2.966033358839679
Energy: 11.600248880187438
Energy: 5.614673440154483
Energy: 11.590360517367504
Energy: 5.614673440147952
Energy: 11.600248880187438
Energy: 5.614673440147952
Energy: 11.597372864546669
Energy: 3.442002654395965
Energy: 8.454615807114322
Energy: 3.4420026544024966
Energy: 11.597372864546669
Energy: 3.4420026544024966
Energy: 7.301476948844651
Energy: 3.906748990569554
Energy: 10.0580582128014
Energy: 3.906748990569554
Energy: 6.491933228331736
Energy: 3.906748990569554
Energy: 7.353587208336352
Energy: 3.6742942532318743
Energy: 10.049575269346311
Energy: 3.6742942532514675
Energy: 6.542188901103484
Energy: 3.6742942532188114
Energy: 11.59909532968091
Energy: 1.6054338034938633
Energy: 11.599069295719085
Energy: 1.605438430407999
Energy: 11.59909532968744
Energy: 1.6054309526342208
Energy: 11.59209494606758
Energy: 6.2787203271594185
Energy: 11.607453815733077
Energy: 6.2787203271594185
Energy: 11.592094946047988
Energy: 6.27872032716595
Energy: 11.57414164499665
Energy: 2.6752726778680045
Energy: 10.075177888275494
Energy: 2.6752726778484113
Energy: 11.574141644990119
Energy: 2.6752726778484113
Energy: 11.614303614241834
Energy: 6.1466193480228615
Energy: 11.638416960475398
Energy: 6.146619348016331
Energy: 11.614303614248366
Energy: 6.146619348016331
Energy: 10.099267966891587
Energy: 2.33942305288426
Energy: 11.574665084322927
Energy: 2.3394230526231317
Energy: 10.099267966891587
Energy: 2.3394230522770965
Energy: 10.130523475170238
Energy: 5.8121906040552584
Energy: 10.43006697406656
Energy: 5.81219060406832
Energy: 10.130523475189829
Energy: 5.81219060406832
Energy: 11.598741994498514
Energy: 3.0518624955474563
Energy: 11.650311639738465
Energy: 3.051862495534394
Energy: 11.598741994505046
Energy: 3.051862495534394
Energy: 10.03930802925632
Energy: 3.515292803602529
Energy: 10.19613210054838
Energy: 3.5152928036807847
Energy: 10.03930802925632
Energy: 3.515292803452312
Energy: 10.103227610685957
Energy: 3.2831873468031683
Energy: 7.365568832624807
Energy: 3.2831873468096995
Energy: 10.10322761065983
Energy: 3.2831873468031683
Energy: 8.110702530980298
Energy: 3.448291327417648
Energy: 10.41753918459757
Energy: 3.4482913274111175
Energy: 8.110702530980298
Energy: 3.448291327417648
Energy: 11.583689004415332
Energy: 4.734581574327453
Energy: 11.647757301762386
Energy: 4.734581574320921
Energy: 11.583689004415332
Energy: 4.734581574327453
Energy: 10.0563858350897
Energy: 2.457741253664512
Energy: 11.592862576934806
Energy: 2.457741253664512
Energy: 10.056385835096231
Energy: 2.4577412536579804

minimum gb energy = -9.538903490116821 eV
minimum distance =  2.80691940509631 Angstroms
sigma value = 57


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

Energy: 12.93342495174828
Energy: 7.359623499788793
Energy: 17.708701338850787
Energy: 7.359623499788793
Energy: 12.93342495174828
Energy: 7.359623499788793
Energy: 13.354628549043609
Energy: 1.934999364036877
Energy: 13.603771602294067
Energy: 1.9349993640622463
Energy: 13.354626904317797
Energy: 1.9349993640284204
Energy: 13.586019035038417
Energy: 2.899996539967846
Energy: 14.33180538274355
Energy: 2.899996539976302
Energy: 13.586019035038417
Energy: 2.899996539976302
Energy: 13.900978001472685
Energy: 5.688438565809499
Energy: 13.603723145392086
Energy: 5.688438565809499
Energy: 13.90097800146423
Energy: 5.688438565826413
Energy: 13.601125473155545
Energy: 3.76392724816004
Energy: -27.763967099009605
Energy: 3.7639265203705063
Energy: 13.60112547314709
Energy: 3.7639258084384406
Energy: 14.373971948793685
Energy: 1.1601664118179804
Energy: 13.594678401854647
Energy: 1.1601664131704046
Energy: 14.373971948802144
Energy: 1.1601664085467005
Energy: 14.432001579565675
Energy: 3.1515301984108097
Energy: 13.480087396274108
Energy: 3.1515301984108097
Energy: 14.432001579565675
Energy: 3.1515301984023534
Energy: 14.40472460438705
Energy: 6.7810705829976365
Energy: 12.914928490133544
Energy: 6.781070583014549
Energy: 14.404724604378593
Energy: 6.781070583006093
Energy: 13.602134962149313
Energy: 3.226286129441048
Energy: 14.4162104621503
Energy: 3.2262861294325913
Energy: 13.60213496215777
Energy: 3.2262861294495044
Energy: 14.405063865353405
Energy: 1.135377816480165
Energy: 13.60589955226748
Energy: 1.135377816480165
Energy: 14.405063865311122
Energy: 4.008640948907571
Energy: 14.425666888750824
Energy: 5.285254999680099
Energy: 14.3893142057169
Energy: 5.285254999511123
Energy: 14.425666888759281
Energy: 5.285254999435015
Energy: 13.33323511533736
Energy: 7.5499887477106
Energy: 13.634118612101503
Energy: 7.5499887477106
Energy: 13.333235117577253
Energy: 7.549988747719057
Energy: 13.629504045630506
Energy: 1.2158995224832116
Energy: 15.655145879001392
Energy: 1.2158995219421498
Energy: 13.62950404562205
Energy: 1.215899521764717
Energy: 13.385734525022146
Energy: 3.3502113767058534
Energy: 14.40807775629243
Energy: 3.3502113767058534
Energy: 13.38573351389681
Energy: 3.7786091209392936
Energy: 13.336428951550813
Energy: 6.729287653758698
Energy: 14.412655689843023
Energy: 6.72928765377561
Energy: 13.336422222120722
Energy: 6.7292876537671535
Energy: 13.308588998177784
Energy: 1.9590243667620286
Energy: 13.445218712771823
Energy: 1.9590243667620286
Energy: 13.308588995996933
Energy: 1.9590243667620286
Energy: 13.365263731158889
Energy: 7.52477811092337
Energy: 14.423502021151862
Energy: 7.524778110914914
Energy: 13.365263731167346
Energy: 7.524778110906459
Energy: 14.406580416754654
Energy: 2.0969525736871186
Energy: 14.407144701100307
Energy: 2.096952573695575
Energy: 14.406580416746197
Energy: 1.123661956395497
Energy: 14.423503525519987
Energy: 7.4849529371590515
Energy: 13.36340449177939
Energy: 7.4849529371590515
Energy: 14.423503525519987
Energy: 7.4849529371844215
Energy: 13.451838607803042
Energy: 1.4995014054557005
Energy: 13.312514283213247
Energy: 1.4995014050078137
Energy: 13.451838607743847
Energy: 1.4995014062164775
Energy: 14.411531127666342
Energy: 6.731489960931643
Energy: 13.339868160204889
Energy: 6.731489960923187
Energy: 14.411531127674797
Energy: 6.731489960923187
Energy: 14.409397692802367
Energy: 2.752237639161013
Energy: 13.375173560628037
Energy: 2.752237638932841
Energy: 14.40939769276854
Energy: 2.752237638907472
Energy: 15.655145879069044
Energy: 1.7959795177024596
Energy: 13.626169900685404
Energy: 1.7959795177024596
Energy: 15.655145879035217
Energy: 1.7959795177024596
Energy: 13.463153385214026
Energy: 7.607482588969588
Energy: 13.325716864596627
Energy: 7.607482588969588
Energy: 13.463153385197113
Energy: 7.607482588978043

minimum gb energy = -27.763967099009605 eV
minimum distance =  2.81912194877277 Angstroms
sigma value = 17


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

Energy: 16.157069862509537
Energy: 7.282576407739485
Energy: 22.850793572328467
Energy: 7.282576407765796
Energy: 16.157069862508454
Energy: 7.282576407744269
Energy: 16.666412124854606
Energy: 0.2398016232866607
Energy: 17.066302939388343
Energy: 0.18353860334410377
Energy: 16.666412124841557
Energy: 0.5012494296001022
Energy: 17.005657291329126
Energy: 2.038998238936359
Energy: -31.891038934197844
Energy: 2.0389670283278627
Energy: 17.005657291338693
Energy: 2.038904780143324
Energy: 17.340096443192884
Energy: 1.4308517044554434
Energy: 17.01827690196548
Energy: 1.4308618713881316
Energy: 17.340096443166576
Energy: 1.430854929700676
Energy: 17.05478754156195
Energy: 2.8763165321378823
Energy: -30.5852982835729
Energy: 2.8763165321689765
Energy: 17.054787541546293
Energy: 2.8763165321700637
Energy: 17.032489805041745
Energy: 8.316324190457763
Energy: 15.914137877990967
Energy: 8.316324190457763
Energy: 17.03249634123727
Energy: 8.31632419046494
Energy: 17.098999611510788
Energy: -3.985730159882772
Energy: 16.67666588645714
Energy: -4.717903890719143
Energy: 17.098999611514262
Energy: -4.019780297777054
Energy: 16.980846645291447
Energy: 10.066814616874034
Energy: 17.018177474052344
Energy: 10.066814616874034
Energy: 16.980846858710642
Energy: 10.066814616876426
Energy: 17.05400976011483
Energy: 0.8827212824562694
Energy: 20.622114125087858
Energy: 1.2127155114521786
Energy: 17.054009760112443
Energy: 1.6429986061628716
Energy: 15.794741987696577
Energy: 1.418745088801915
Energy: 17.065999104279697
Energy: 1.698736677281401
Energy: 15.794741472415316
Energy: 1.4127373323001005
Energy: 15.896936780606032
Energy: -4.838601993173629
Energy: 17.026592731939314
Energy: -4.838602019735432
Energy: 15.896936780602555
Energy: -4.838601985861502
Energy: 16.96041137248111
Energy: 1.7972962595194832
Energy: 17.156980013962173
Energy: 1.7972634083657097
Energy: 16.96041137261397
Energy: 1.7972777390994166
Energy: 17.051959297105398
Energy: 10.077182963182935
Energy: 16.960497840447488
Energy: 10.077182963189022
Energy: 17.051959297116053
Energy: 10.077182963185328
Energy: 17.028360076401256
Energy: 0.8587323088771063
Energy: 17.110644719999414
Energy: 1.072594896025
Energy: 17.028359588271282
Energy: 0.7359863289194255
Energy: 17.098255614614423
Energy: -5.235246272512871
Energy: 15.796964036344388
Energy: -5.235246057375885
Energy: 17.098255614609638
Energy: -5.235247607008591
Energy: 17.152747411760764
Energy: -4.5621294418597715
Energy: 15.813777541681125
Energy: -4.562131280493304
Energy: 17.15274741176794
Energy: -4.562127702573589
Energy: 17.026326803725887
Energy: 2.4577255674261664
Energy: 16.95353513448963
Energy: 2.457731738730035
Energy: 17.026326845001744
Energy: 2.4577439299116226

minimum gb energy = -31.891038934197844 eV
minimum distance =  2.78053235160763 Angstroms
sigma value = 17


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

Energy: 3.977836875072899
Energy: -6.759968171008133
Energy: -5.970669303772312
Energy: -6.759968328928444
Energy: 3.977836875100608
Energy: -6.759967712744204
Energy: -4.163751495923651
Energy: -9.059697756604464
Energy: -11.15748711353482
Energy: -9.059697756369017
Energy: -4.163751943154833
Energy: -9.059697756812202
Energy: -6.43144952423566
Energy: -4.934102142794854
Energy: -11.190908102859696
Energy: -4.934102142287183
Energy: -6.431451573445307
Energy: -4.934102142102454
Energy: -8.97051304680168
Energy: -11.387975982934726
Energy: -5.763090939527843
Energy: -11.387975982847065
Energy: -8.970513046921587
Energy: -11.387975982717922
Energy: -11.269502105592313
Energy: -6.056548246913401
Energy: -5.6860834605594475
Energy: -6.056548246890226
Energy: -11.26950210570315
Energy: -6.0565482468717535
Energy: -7.664009537509472
Energy: -7.530252473654791
Energy: -4.907258798701426
Energy: -7.530257783507953
Energy: -7.664009537514175
Energy: -7.530254109359078
Energy: -11.399230829463894
Energy: -7.48763960229256
Energy: -8.069302368387177
Energy: -7.487639602491062
Energy: -11.399230829662395
Energy: -7.487639602421872
Energy: -7.048677850243523
Energy: -12.184916598830382
Energy: -11.197496212288383
Energy: -12.184916552096041
Energy: -7.048668970655422
Energy: -12.18491660273104
Energy: -3.5488395230201437
Energy: -4.938345500846225
Energy: -8.9804215983961
Energy: -4.938345501229455
Energy: -3.548836196752805
Energy: -4.938345500638487
Energy: -8.093547522669228
Energy: -7.173480488254622
Energy: -11.356477641689713
Energy: -7.1734804821242735
Energy: -8.09354752271071
Energy: -40.069538209713
Energy: -5.816755165056885
Energy: -5.34828245188177
Energy: -9.016802618480732
Energy: -5.348282451886472
Energy: -5.816755159014367
Energy: -5.348282451203307
Energy: -8.948847242123858
Energy: -7.799086974927034
Energy: -5.051871394179552
Energy: -7.799086976487332
Energy: -8.948847242119324
Energy: -7.799086975647145
Energy: -11.251478071515201
Energy: -10.110386671264507
Energy: -4.216557834460875
Energy: -10.110386671172142
Energy: -11.251472349204603
Energy: -10.110386668647049
Energy: -8.979982358216875
Energy: 4.167652244006438
Energy: -11.721678719788963
Energy: 4.167652264890165
Energy: -8.979982358230814
Energy: 4.167652238776395
Energy: -9.28635331760818
Energy: -7.761620976670833
Energy: -8.552765881065119
Energy: -7.761620976966402
Energy: -9.286353317603476
Energy: -7.761620976943227
Energy: -5.736355745759529
Energy: -11.232120678605073
Energy: -5.0610455540088735
Energy: -11.232120678600369
Energy: -5.736355744453152
Energy: -11.232120678605073
Energy: -3.939301199562012
Energy: 2.9117782684510067
Energy: -9.010179346081042
Energy: 2.9117782684417706
Energy: -3.939301199668148
Energy: 2.911778268455541
Energy: -12.013569215541905
Energy: 2.1061385323935604
Energy: -8.975185230805506
Energy: 2.106138532333439
Energy: -12.01344960673933
Energy: 2.106138532361149
Energy: 0.882987180533807
Energy: -7.924118275005113
Energy: -11.38919818519501
Energy: -7.924128365607075
Energy: 0.882987180566051
Energy: -7.924113140059867
Energy: -11.299239158253197
Energy: -43.04112321122056
Energy: -11.290810425053152
Energy: -7.828219571575965
Energy: -11.299239151541283
Energy: -44.67040174998948
Energy: -11.135822205041551
Energy: -7.548611561845975
Energy: 0.8764141307091926
Energy: -7.548611561569048
Energy: -11.13582221373377
Energy: -7.548611561522865
Energy: -8.984923591772455
Energy: 2.1063324929555125
Energy: -5.137614154874233
Energy: 2.1063324929370397
Energy: -8.984923591767922
Energy: 2.106332492927803
Energy: -9.005884393522765
Energy: 3.1138067748571947
Energy: -3.9484268789529073
Energy: 3.113806774774066
Energy: -9.005884393532002
Energy: 3.113806774843256
Energy: -5.063931555379911
Energy: -41.152097000295456
Energy: -3.7153878425168294
Energy: -41.1427034485206
Energy: -5.063931555370843
Energy: -11.230595771298841
Energy: -8.59970185802665
Energy: -7.8255059732300145
Energy: -9.355923424038204
Energy: -7.8255059732300145
Energy: -8.599701858303577
Energy: -7.8255059732207775
Energy: -11.683337219846445
Energy: 3.8198964163760225
Energy: -9.033287435109273
Energy: 3.819896415471181
Energy: -11.682897452428127
Energy: 3.8198964159605477
Energy: -4.445862880824561
Energy: -10.12321769313179
Energy: -11.25255339292122
Energy: -10.123217693044127
Energy: -4.445859251651398
Energy: -10.12321769309031
Energy: -5.033172985720825
Energy: -7.803062292041748
Energy: -9.337638634234033
Energy: -7.803062280732073
Energy: -5.03317298345889
Energy: -7.803062288085671
Energy: -8.346038646144414
Energy: -6.989241225302161
Energy: -5.767554136278989
Energy: -6.989241225186788
Energy: -8.346038646342915
Energy: -6.989241224928167
Energy: -11.34860033718393
Energy: -7.682281910155452
Energy: -8.16157839622489
Energy: -7.682281910317008
Energy: -11.348600337234814
Energy: -45.13591959761089
Energy: -8.968437188176107
Energy: -5.367668232495956
Energy: -2.323969453458728
Energy: -5.367668305233396
Energy: -8.968437188171572
Energy: -5.3676681933044765
Energy: -11.087460001669735
Energy: -11.327389625431227
Energy: -7.105220718418013
Energy: -11.327389646333259
Energy: -11.087460001738926
Energy: -11.327389628648719
Energy: -5.314213479767473
Energy: -7.514417546295021
Energy: -11.25828193514848
Energy: -7.514417546211892
Energy: -5.313970205206017
Energy: -7.514417546216427
Energy: -5.044211551329096
Energy: -7.688364831842553
Energy: -7.655654061106201
Energy: -7.6883531299744075
Energy: -5.044211437138241
Energy: -7.688359341486845
Energy: -1.0447505445668677
Energy: -6.056548246913401
Energy: -11.267970675244957
Energy: -6.056548246894929
Energy: -1.0447505445530971
Energy: -6.056548246917936
Energy: -5.729649457756355
Energy: -11.391429914913031
Energy: -9.243087746804171
Energy: -11.391429912872603
Energy: -5.729649448957832
Energy: -11.39142991722568
Energy: -11.199074145697118
Energy: -4.977604618497161
Energy: -6.456206771118546
Energy: -4.97760461850623
Energy: -11.19907493148517
Energy: -4.977604618414033
Energy: -11.175289124543287
Energy: -9.038273950284532
Energy: -3.099229036963813
Energy: -9.038273950275297
Energy: -11.17528937945911
Energy: -9.03827395027983
Energy: -10.655700553607371
Energy: -6.759967706613853
Energy: 3.9778368751051425
Energy: -6.759967712818096
Energy: -10.655700546853977
Energy: -6.759967720314775
Energy: -11.157487112994737
Energy: -9.059697756618403
Energy: -4.163751621087301
Energy: -9.059697756530571
Energy: -11.157487113285436
Energy: -9.059697756350545
Energy: -11.186912136864633
Energy: -4.934102140182101
Energy: -6.4314539051524795
Energy: -4.934102140749893
Energy: -11.18779797133714
Energy: -4.934102141216085
Energy: -5.763090939467721
Energy: -11.387975982791644
Energy: -8.970513046418448
Energy: -11.387975982805584
Energy: -5.763090939647749
Energy: -11.387975982763935
Energy: -5.686083497013564
Energy: -6.056548246908699
Energy: -11.269502105749165
Energy: -6.0565482469364085
Energy: -5.686083494899413
Energy: -6.056548246899462

minimum gb energy = -45.13591959761089 eV
minimum distance =  2.79251572824803 Angstroms
sigma value = 57


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

Energy: -35.498125277930285
Energy: -47.82307892885649
Energy: -61.18671118136247
Energy: -47.822998630150494
Energy: -35.49812528073387
Energy: -47.82308338905293
Energy: -43.648441829917864
Energy: -52.11881877076767
Energy: -61.60064438542775
Energy: -52.118818770970556
Energy: -43.648441829887794
Energy: -52.11881877090302
Energy: -43.1586479018059
Energy: -59.792912951841764
Energy: -60.72803098949867
Energy: -59.7929128525894
Energy: -43.15864790164812
Energy: -59.79291289565766
Energy: -49.86771220966013
Energy: -48.253473252576306
Energy: -55.14302921021141
Energy: -48.25346801415211
Energy: -49.86771216363789
Energy: -48.16850351300509
Energy: -45.37647711084145
Energy: -42.03455622788073
Energy: -48.54909506370641
Energy: -42.03455622824167
Energy: -45.37647692098045
Energy: -42.03455622815143
Energy: -60.714948169368725
Energy: -50.15207821099242
Energy: -54.63107041167406
Energy: -50.15205066380607
Energy: -60.52937251562678
Energy: -50.152087709875936
Energy: -42.90348313405145
Energy: -61.22760887545236
Energy: -60.73484334174887
Energy: -61.36786218694161
Energy: -42.90348313393879
Energy: -61.227091126232175
Energy: -45.59699221020018
Energy: -48.449111873584215
Energy: -61.304278160522415
Energy: -48.44912604787037
Energy: -45.5969922165213
Energy: -48.44913591816302
Energy: -37.019119213065075
Energy: -55.07964685121413
Energy: -60.937303821084434
Energy: -55.07964685143207
Energy: -37.019119178790945
Energy: -55.07964685134948
Energy: -42.473533462114524
Energy: -52.40508269617733
Energy: -61.599460840743454
Energy: -52.40508269682375
Energy: -42.414116164068666
Energy: -52.40508269666597
Energy: -42.94638299045311
Energy: -53.07011995733258
Energy: -44.87491010776613
Energy: -53.07011997334226
Energy: -42.94638299071615
Energy: -53.07011998609005
Energy: -41.91824049762402
Energy: -49.190809401535276
Energy: -55.203874653900755
Energy: -49.20229762222709
Energy: -41.91824049645151
Energy: -49.103248189919
Energy: -45.60916244886533
Energy: -48.94914465962235
Energy: -43.2043421173453
Energy: -48.949144638125816
Energy: -45.60916244890278
Energy: -48.94914462219873
Energy: -41.35456416322173
Energy: -53.195146404518205
Energy: -55.156738067915185
Energy: -53.18533923889118
Energy: -41.35464166225743
Energy: -53.195137908261174
Energy: -43.24125471123081
Energy: -60.34171220510176
Energy: -60.88197035695172
Energy: -60.346056836063205
Energy: -43.241254695972835
Energy: -60.31803423216551
Energy: -42.984776978199434
Energy: -45.4008001481514
Energy: -61.590089557945745
Energy: -45.42560072795906
Energy: -42.98477461966672
Energy: -45.41286030622943
Energy: -36.67988920992406
Energy: -48.028152797070625
Energy: -61.08233578124539
Energy: -48.02815282604576
Energy: -36.679889131311256
Energy: -48.02815279249323
Energy: -38.466710949329055
Energy: -60.49345279051013
Energy: -61.45746323264484
Energy: -60.48927178164577
Energy: -38.98481535396358
Energy: -60.499885373488674
Energy: -43.67948263406568
Energy: -52.58784891036881
Energy: -42.569614241330335
Energy: -52.58784878831942
Energy: -43.679482630239974
Energy: -52.587848820323735
Energy: -49.10133524593939
Energy: -61.25700331856019
Energy: -50.68546660872963
Energy: -61.25701420790216
Energy: -49.101337469863054
Energy: -61.25700651363951
Energy: -45.240102670996336
Energy: -48.80253132738634
Energy: -42.18714196564406
Energy: -48.810531314738945
Energy: -45.24010267104883
Energy: -48.81054289769056
Energy: -43.5056069894855
Energy: -45.503564948945524
Energy: -55.01321462722849
Energy: -45.50356498934554
Energy: -43.5056069900868
Energy: -45.50356495568036
Energy: -43.22039635583762
Energy: -60.430251122765014
Energy: -61.04358689014023
Energy: -60.42952649474473
Energy: -43.22039637719115
Energy: -60.43008158631176
Energy: -47.93653225488876
Energy: -46.36138455045363
Energy: -61.513951404812865
Energy: -46.36138458488555
Energy: -47.936532201425386
Energy: -46.361384571679466
Energy: -57.993394801821765
Energy: -53.874992940912186
Energy: -61.607776052914055
Energy: -53.87499293557544
Energy: -58.00092043205458
Energy: -53.87499294004756
Energy: -43.28701171160312
Energy: -60.94028913276677
Energy: -60.86651799634249
Energy: -60.938225283489565
Energy: -43.28701171239966
Energy: -60.94368161892474
Energy: -42.867939024913966
Energy: -59.91171193547156
Energy: -52.37245405304107
Energy: -59.9117119007539
Energy: -42.867939025252205
Energy: -59.911711929781816

minimum gb energy = -61.607776052914055 eV
minimum distance =  2.81768006775688 Angstroms
sigma value = 43


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

Energy: 5.35177946753102
Energy: 4.853454401895819
Energy: -3.1982139740456037
Energy: 4.853454401315263
Energy: 5.351779467514683
Energy: 4.8534544102254245
Energy: 0.8899763595163452
Energy: 0.28223989467643584
Energy: 0.8480064109506229
Energy: 0.28223989467105665
Energy: 0.8899763590288295
Energy: 0.2822398946654782
Energy: 0.9865530979321859
Energy: -0.4988107662304845
Energy: 1.9884054437700847
Energy: -0.4988107659786578
Energy: 0.9865531127622676
Energy: -0.4988107662085692
Energy: 2.154017735113567
Energy: 6.8240469893496805
Energy: 6.976582570618538
Energy: 6.824046989344102
Energy: 2.15401774430305
Energy: 6.824046989355058
Energy: 4.47148034804662
Energy: -4.51745090472372
Energy: 5.307335202170305
Energy: -5.012774973618429
Energy: 4.4714819096123595
Energy: -5.57881396563039
Energy: 3.763872238753809
Energy: 2.0360724466096807
Energy: 2.89198059960842
Energy: 2.036072445853802
Energy: 3.763872238753809
Energy: 2.036072446549314
Energy: 2.80188792122365
Energy: 1.3724613033544018
Energy: 1.3667664642837571
Energy: 1.3724613033271074
Energy: 2.80188792075267
Energy: 1.3724613034145694
Energy: 4.730341844551632
Energy: -0.65692188517166
Energy: 3.438706548565853
Energy: -0.6569218851662807
Energy: 4.730341844600843
Energy: -0.6569218851662807
Energy: 7.008466873297291
Energy: 8.075138819507156
Energy: -14.445257832199696
Energy: 8.075138819507156
Energy: 7.008466873291713
Energy: 8.075138819512734
Energy: 1.2411534626859309
Energy: 5.332653165981484
Energy: 3.141399708711952
Energy: 5.332653165987062
Energy: 1.2411534626803524
Energy: 5.332653165959568
Energy: 3.791762061019202
Energy: -0.7990288958158949
Energy: -4.383619114990616
Energy: -0.7990288958049371
Energy: 3.7917620608331215
Energy: -0.7990288957995579
Energy: 0.7019409898847374
Energy: 5.051081586930968
Energy: 3.632836953645798
Energy: 5.051081586952883
Energy: 0.7019409898956951
Energy: 5.05108158696384
Energy: 2.0979846434282408
Energy: 1.8357842473784847
Energy: 9.649148793165649
Energy: 1.8357842473784847
Energy: 2.0979846434338194
Energy: 1.8357842473456116
Energy: 2.6574603013282325
Energy: 3.769642734010135
Energy: 3.1169101869080658
Energy: 3.7696427337142784
Energy: 2.6574603013118963
Energy: 3.76964273375811
Energy: 4.985826470983576
Energy: 7.040041210747132
Energy: 1.9053907108485584
Energy: 7.0400412109882
Energy: 4.985826470961661
Energy: 7.040041210670428
Energy: 3.261272148725866
Energy: -1.9720169602296922
Energy: 3.6398510717470995
Energy: -1.972058739847869
Energy: 3.2612721487202867
Energy: -1.9719584978134101
Energy: -5.5034926310926355
Energy: 5.453227220057104
Energy: 1.9984344912959886
Energy: 5.4532272200517244
Energy: -5.503492625304008
Energy: 5.453227220046147
Energy: 0.5636495646690324
Energy: 3.8354448399171255
Energy: -5.44541167520342
Energy: 3.8354448399007888
Energy: 0.5636495646636531
Energy: 3.8354448398952106
Energy: 6.257549199418264
Energy: -0.2673509840252782
Energy: 5.75230435038568
Energy: -0.2673509840306573
Energy: 6.257549199418264
Energy: -0.2673509840252782
Energy: 1.9913914130248807
Energy: 4.862130153585779
Energy: 5.828985762848969
Energy: 4.8621301535802015
Energy: 1.9913914130195016
Energy: 4.8621301535802015
Energy: 2.00798968183122
Energy: 0.10707544666062721
Energy: 0.5681025183456452
Energy: 0.10707535903270952
Energy: 2.007989681853136
Energy: 0.10707527457035693
Energy: -4.156914739577887
Energy: 4.158138046041175
Energy: 2.250274799283293
Energy: 4.158138046101342
Energy: -4.156914739506563
Energy: 4.158138046139793
Energy: 4.594472786357043
Energy: 2.6596565998073416
Energy: 0.4547003323453254
Energy: 2.6596566001687445
Energy: 4.59447278637338
Energy: 2.659656599703343
Energy: 2.2693176510095934
Energy: 3.4196752155170094
Energy: 0.4203716990331219
Energy: 3.4196752554508647
Energy: 2.269317649996509
Energy: 3.419675207477681
Energy: 2.031249315475108
Energy: 4.394313369638024
Energy: 5.949149661426346
Energy: 4.394313368986343
Energy: 2.03124931546415
Energy: 4.394313369517689
Energy: 0.23545695286654572
Energy: 2.299381525882097
Energy: 5.778922583366122
Energy: 2.299381522842644
Energy: 0.23545695268046493
Energy: 2.2993815238503497
Energy: 0.9508973093504259
Energy: -1.2007415265895873
Energy: 2.7491513740259643
Energy: -1.2006955525701914
Energy: 0.9508973103579319
Energy: -1.2007331901684946
Energy: 1.859416596747717
Energy: 7.9507710829408484
Energy: 2.0831082083770305
Energy: 7.950771082929889
Energy: 1.859416596747717
Energy: 7.950771082929889
Energy: 2.7087166046292355
Energy: -2.4133550021209214
Energy: 0.40665528492623126
Energy: -2.413308943053237
Energy: 2.708716604694981
Energy: -2.4132877994927995
Energy: 5.741175014750763
Energy: 2.625105788006854
Energy: 0.27073843648975493
Energy: 2.625105787760606
Energy: 5.741175014810931
Energy: 2.625105788045306
Energy: 5.930158814902689
Energy: 4.152465539951055
Energy: 2.1662306665122917
Energy: 4.152465539951055
Energy: 5.930158839683312
Energy: 4.152465539885308
Energy: 0.4314198651541973
Energy: 2.8947657385425627
Energy: 2.1759374519640486
Energy: 2.894766417702805
Energy: 0.4314198651707334
Energy: 2.8947623158196034
Energy: 0.3708032379959239
Energy: 1.6591806063130734
Energy: 2.998192756817891
Energy: 1.6591806865860184
Energy: 0.3708032397702661
Energy: 1.659180650167974
Energy: 2.250786041131114
Energy: 2.8766380317776243
Energy: -4.202701704770352
Energy: 2.873596002764063
Energy: 2.250786041131114
Energy: 2.8738132695092573
Energy: 0.5708285130162484
Energy: -1.102043174511465
Energy: 2.015314091760528
Energy: -1.1023692617467462
Energy: 0.5708285130162484
Energy: -1.102089992108828
Energy: 5.9861388312745545
Energy: 4.702411629843623
Energy: 1.97871642356377
Energy: 4.70241162985996
Energy: 5.986138831159598
Energy: 4.702411629865537

minimum gb energy = -14.445257832199696 eV
minimum distance =  2.81433167249973 Angstroms
sigma value = 81


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

Energy: 20.254514623265045
Energy: 20.26517853603765
Energy: 38.03954564978518
Energy: 20.26517853671367
Energy: 20.254514623265045
Energy: 20.265178536132264
Energy: 20.2674153100625
Energy: 20.26747757200504
Energy: 20.256016959384322
Energy: 20.267477571999002
Energy: 20.267415308839116
Energy: 20.26747757200101
Energy: 20.25580782693301
Energy: 20.26729162399031
Energy: 20.260772899419432
Energy: 20.267291623988303
Energy: 20.25580782693301
Energy: 20.26729162398226
Energy: 38.03954564978518
Energy: 20.26517853617838
Energy: 20.25451462326907
Energy: 20.265178536319294
Energy: 38.03954564978518
Energy: 20.265178536071875
Energy: 20.25601695938835
Energy: 20.26747757201309
Energy: 20.26741504805983
Energy: 20.267477571988934
Energy: 20.25601695940445
Energy: 20.267477571982894
Energy: 20.2607727589026
Energy: 20.26729162399031
Energy: 20.25580782693301
Energy: 20.267291623978238
Energy: 20.260772860192436
Energy: 20.267291623994343
Energy: 20.254514623277124
Energy: 20.265178536051742
Energy: 38.03954564978518
Energy: 20.26517853598934
Energy: 20.254514623271085
Energy: 20.265178536432025
Energy: 20.2674158073243
Energy: 20.267477572011074
Energy: 20.25601695940647
Energy: 20.267477571999002
Energy: 20.26741595469245
Energy: 20.267477571990945
Energy: 20.25580782693502
Energy: 20.267291623994343
Energy: 20.26077272617482
Energy: 20.26729162398226
Energy: 20.25580782693301
Energy: 20.26729162398629
Energy: 38.03954564978719
Energy: 20.2651785360759
Energy: 20.25451462326303
Energy: 20.265178536355528
Energy: 38.03954564978719
Energy: 20.26517853599739

minimum gb energy = 20.25451462326303 eV
minimum distance =  2.75788709218339 Angstroms
sigma value = 3


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

Energy: 5.569644316290367
Energy: -5.670737762706551
Energy: 5.635168097857542
Energy: -5.670737762905237
Energy: 5.569644316296282
Energy: -5.670737762718599
Energy: -12.48808498410541
Energy: -26.913724944958624
Energy: -26.24812644959623
Energy: -26.913724136407073
Energy: -12.27174790970915
Energy: -26.913724699242202
Energy: -21.534336745847632
Energy: -21.94667892075403
Energy: -8.929110429323616
Energy: -21.94667877523402
Energy: -21.534342202822604
Energy: -21.946678793304358
Energy: -22.475169786749753
Energy: -26.590831870008113
Energy: -28.095131462279372
Energy: -26.591007142646383
Energy: -22.475170412900194
Energy: -26.590976841992976
Energy: -24.57561485173499
Energy: -23.638908891921584
Energy: -8.938922079810673
Energy: -23.63891834689699
Energy: -23.396925800740373
Energy: -23.63888083939292
Energy: -27.759995768784258
Energy: -27.661565556558298
Energy: -2.6592720331111828
Energy: -27.66156548175995
Energy: -27.647652902264998
Energy: -27.66156554718282
Energy: -23.927399386482215
Energy: -23.98897859689433
Energy: -19.30287458645287
Energy: -23.988985310626045
Energy: -23.884854536192105
Energy: -23.98899261166982
Energy: -9.122849038179702
Energy: -7.933564075260603
Energy: -27.500695981139224
Energy: -7.9335640752847
Energy: -9.122850420826428
Energy: -7.933564075260603
Energy: -21.59376314549028
Energy: -21.62440688291534
Energy: -21.774096974699603
Energy: -21.649352226606464
Energy: -22.070707636842688
Energy: -21.624638629230684
Energy: 0.1895224671092388
Energy: -26.480795964453716
Energy: -25.785269672317717
Energy: -26.48079593544842
Energy: 0.1882129068100426
Energy: -26.480795552515605
Energy: -28.205831105559653
Energy: -23.150176174946264
Energy: -26.848929081142114
Energy: -23.15028850977037
Energy: -27.942079414585375
Energy: -23.14947411499082
Energy: -28.356327080926743
Energy: -26.21227323411121
Energy: -25.343062844987088
Energy: -26.214542471735793
Energy: -28.165606415535656
Energy: -26.20465764974971
Energy: -22.68015630509576
Energy: -18.217174814286068
Energy: -25.391536249733587
Energy: -18.217174808005666
Energy: -21.508854058460283
Energy: -18.217174849776367
Energy: 0.217159428611904
Energy: -23.526500255528795
Energy: -25.264220163740358
Energy: -23.5264786429074
Energy: 0.21715963991601525
Energy: -23.526527967148134
Energy: -24.324705790728594
Energy: -13.860255986726969
Energy: -25.426425979136845
Energy: -13.86025598711821
Energy: -24.306233193597112
Energy: -13.86025599370573
Energy: -8.844119176584961
Energy: -15.623042462242227
Energy: -3.437534554857479
Energy: -15.62304246221813
Energy: -8.844147172969626
Energy: -15.623042462224046
Energy: -24.055115156799705
Energy: -16.06638622310999
Energy: -3.051353298792236
Energy: -16.066386223115906
Energy: -23.672107205227775
Energy: -16.06638622309794
Energy: -8.526743799521235
Energy: -29.302452206493797
Energy: -24.910424466421432
Energy: -29.302452379501467
Energy: -8.526743807788716
Energy: -29.302452046913732
Energy: -0.24633878833558598
Energy: -23.99889493196083
Energy: -25.14576444913954
Energy: -23.998895099922713
Energy: -0.24633974596576036
Energy: -23.998895089601998
Energy: -0.4994361049506002
Energy: -25.01636815691652
Energy: -25.861172795520545
Energy: -25.01636888974859
Energy: -21.626915031273015
Energy: -25.016368001419274
Energy: -27.664181548728482
Energy: -26.30868989154833
Energy: -26.11540500931558
Energy: -26.14059067594647
Energy: -27.665996761890785
Energy: -25.697192821335754
Energy: -27.517417010801914
Energy: -23.716683642538307
Energy: -24.983944508586728
Energy: -23.71669290846484
Energy: -27.501005780538765
Energy: -23.71666583003516
Energy: -0.25940611141085834
Energy: -27.04549510810346
Energy: -25.26963836001771
Energy: -26.175748737560262
Energy: -0.27327967088475213
Energy: -26.974486618681695
Energy: -22.35657150925378
Energy: -17.125053436102412
Energy: -8.739554068161503
Energy: -17.125053434085107
Energy: -22.356584705018328
Energy: -17.125053436848965
Energy: -8.454627239286143
Energy: -29.348623599774168
Energy: -24.877504853467986
Energy: -29.34862359976825
Energy: -8.454627239286143
Energy: -29.348623599780296
Energy: -23.9499427739145
Energy: -23.000335457229074
Energy: -9.958696382848574
Energy: -23.000470828742827
Energy: -23.205895779921637
Energy: -23.00031348766942
Energy: -8.121345704880762
Energy: -19.810099119120963
Energy: -3.9063260046359205
Energy: -19.81009916099988
Energy: -8.121345704959186
Energy: -19.81009914871618
Energy: -24.235684360613263
Energy: -13.727740949201957
Energy: -17.22043213850819
Energy: -13.726761264435591
Energy: -24.209128944959595
Energy: -13.728062572792725
Energy: 0.05702152737909859
Energy: -10.241033374938185
Energy: -27.937730237130694
Energy: -10.2410333748418
Energy: 0.05702152831842075
Energy: -10.241033374877942
Energy: -22.520319090838253
Energy: -21.89736349947864
Energy: -7.9040697622326865
Energy: -21.89753331478684
Energy: -22.88829085363417
Energy: -21.897518113777814
Energy: -13.069478514783043
Energy: -26.263820270645418
Energy: -25.701544994848042
Energy: -26.26382280910549
Energy: -13.417442973434383
Energy: -26.263820826242643
Energy: 5.753409796159082
Energy: -24.862884416470866
Energy: -27.341339073700773
Energy: -24.241219424343683
Energy: 5.753409796171131
Energy: -24.569763114044846
Energy: -9.058841790197356
Energy: -26.296334042671763
Energy: -26.073136831824186
Energy: -26.29633159344314
Energy: -9.053723261455406
Energy: -26.29633294157503

minimum gb energy = -29.348623599780296 eV
minimum distance =  2.73668198352637 Angstroms
sigma value = 67


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

Energy: 10.261092999133623
Energy: -2.86477038834182
Energy: 23.772357606041773
Energy: -2.86477038840175
Energy: 10.261092999107717
Energy: -2.864770388367415
Energy: -30.443242894436587
Energy: -5.560490250015917
Energy: 9.29405203921034
Energy: -5.5604891866885975
Energy: -40.13832506114823
Energy: -5.560490767390109
Energy: 9.870490282710955
Energy: 0.2885168295068522
Energy: 13.813097297243452
Energy: 0.2885168295068522
Energy: 9.870490282676622
Energy: 0.2885168294981124
Energy: -0.9602987827559318
Energy: 3.4485240854575654
Energy: 9.268944797382696
Energy: 3.4485240852347023
Energy: 15.513439249602449
Energy: 3.4485240853033723
Energy: 9.276120708527134
Energy: 3.8404609438002764
Energy: -5.5222065815810915
Energy: 3.8404609437915362
Energy: 9.276120708544305
Energy: 3.8404609437659416
Energy: 9.267950972060948
Energy: -4.427509512179351
Energy: 9.312743211958164
Energy: -4.427505142458059
Energy: 9.267950971683264
Energy: -4.427546804365312
Energy: 9.874085857393368
Energy: -4.291586769054672
Energy: 9.857352102257689
Energy: -4.291586769089007
Energy: 9.874085857410536
Energy: -4.291586769097747
Energy: 9.858095677522854
Energy: 1.8473159392224103
Energy: 18.43209638824592
Energy: 1.8473159392480056
Energy: 9.858095677488517
Energy: 1.8473159392567453
Energy: 9.89108396420757
Energy: -3.199667069218557
Energy: 18.337409274221013
Energy: -3.2121187942390548
Energy: 9.891083964190404
Energy: -3.199503762577575
Energy: 9.86426658400624
Energy: -3.1041786825675493
Energy: 9.896270035188966
Energy: -3.104178682533214
Energy: 9.8642665839975
Energy: -3.1041786825675493
Energy: 9.335822411113837
Energy: -0.9328147805773837
Energy: 9.857849679746128
Energy: -0.9328147806460528
Energy: 9.335822411156599
Energy: -0.932814780929158
Energy: 9.337707779762036
Energy: 0.7817235178301288
Energy: 9.33815267201973
Energy: 0.7817235139693509
Energy: 9.337707779779203
Energy: 0.7817235249171173
Energy: 9.859216446154885
Energy: -0.8899297365621236
Energy: 9.33459953173162
Energy: -0.8899297365621236
Energy: 9.85921644619765
Energy: -0.889929736519049
Energy: 9.896157742859744
Energy: -3.4264730208866307
Energy: 9.911317324300038
Energy: -3.4264730208866307
Energy: 9.896157742868484
Energy: -3.4264730210327095
Energy: 18.333771680880677
Energy: -0.6219250504496593
Energy: 9.89330769034888
Energy: -0.6219250504836819
Energy: 18.33377166597756
Energy: -0.6219250504153248
Energy: 18.4285791680101
Energy: 0.902294943311103
Energy: 9.855358916679938
Energy: 0.90229489796655
Energy: 18.428554022396444
Energy: 0.9022949783256018
Energy: 9.857295653473052
Energy: -5.229433538287737
Energy: 9.365102179757212
Energy: -5.2294335383735735
Energy: 9.857295653172779
Energy: -5.229433538278997
Energy: 9.290153506246357
Energy: -3.061539801791233
Energy: 9.26695636065281
Energy: -3.0615398017568984
Energy: 9.29015350622919
Energy: -3.0615398017656386
Energy: -7.022344064083382
Energy: 3.6125862653853047
Energy: 9.277196671189152
Energy: 3.612586265539811
Energy: -33.78253004325572
Energy: 3.6125862650163634
Energy: 9.26718428995374
Energy: 2.5630547336067155
Energy: 15.512844788238976
Energy: 2.56305473837705
Energy: 9.267184289988075
Energy: 2.5630547381794693
Energy: 13.809192083093418
Energy: 0.2885168295240195
Energy: 9.366969925413247
Energy: 0.28851682954961444
Energy: 13.809185138968703
Energy: 0.28851682954961444
Energy: 9.293062211441079
Energy: -8.241812120764445
Energy: -41.676217231745504
Energy: -8.262574940253453
Energy: 9.293062211441079
Energy: -8.23709590403663
Energy: -4.960051457774623
Energy: -2.86477038840175
Energy: 10.261092999133623
Energy: -2.864770388410177
Energy: -7.020287898612108
Energy: -2.8647703883758426

minimum gb energy = -41.676217231745504 eV
minimum distance =  2.79853261861857 Angstroms
sigma value = 33


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

Energy: 3.954767492076568
Energy: -11.972073624521984
Energy: 12.053706821570296
Energy: -11.972073624570893
Energy: 3.9547674920656766
Energy: -11.972073624581785
Energy: -4.2738841401184775
Energy: 2.5388704217374687
Energy: -5.845597403811158
Energy: 2.5388704217430127
Energy: -4.273884265179923
Energy: 2.538870421748359
Energy: -5.780511357460509
Energy: -9.29465500595899
Energy: -6.085146563265851
Energy: -9.294655005964534
Energy: -5.780511357449618
Energy: -9.294655005953643
Energy: -9.251994092634284
Energy: 3.103926125780569
Energy: -3.604769180223821
Energy: 3.1039261257643322
Energy: -9.251994092628935
Energy: 3.103926125758788
Energy: 2.434996759939844
Energy: -6.3404704599640676
Energy: 1.9173397602667448
Energy: -6.340470663185576
Energy: 2.434996759945388
Energy: -6.340470515830022
Energy: 2.278205590671111
Energy: -7.061974016072872
Energy: -5.8206826757440835
Energy: -23.552928289576297
Energy: 2.2782055888640587
Energy: -7.061974016067327
Energy: -5.170699930497391
Energy: -7.077830254354818
Energy: -7.514047055397378
Energy: -7.077830254371253
Energy: -5.170699930508282
Energy: -7.077830254371253
Energy: -7.707309330035647
Energy: -5.605590151934032
Energy: 2.037768406591678
Energy: -5.60559015184156
Energy: -7.707309330079211
Energy: -5.605590151994029
Energy: 2.2616561211174107
Energy: -5.722518640462228
Energy: 2.274950756987406
Energy: -5.722518640473118
Energy: 2.2616561211120647
Energy: -5.7225186404351
Energy: -3.8006189937044113
Energy: -7.076983625872292
Energy: -5.822649133057469
Energy: -7.076983625888529
Energy: -3.8006189936879764
Energy: -2.0458794721524614
Energy: -5.782497088452243
Energy: -2.9396002665721337
Energy: -7.55451944290708
Energy: -2.939600266539462
Energy: -5.782497088452243
Energy: -2.939600266517681
Energy: -5.603900380349572
Energy: -6.30233195080218
Energy: -4.294646598449988
Energy: -6.302331950796834
Energy: -5.603900380360463
Energy: -6.302331950785942
Energy: 1.8921219325518457
Energy: -5.600772446891944
Energy: 3.5174961056792884
Energy: -5.600772446897488
Energy: 1.8921219325518457
Energy: -5.600772446897488
Energy: -5.772583245487847
Energy: 2.0166979150307927
Energy: -7.016587557930607
Energy: 2.01669791498723
Energy: -5.772583245498738
Energy: 2.016697914992774
Energy: 1.8718379550029105
Energy: -9.360161414435492
Energy: -5.797415647813937
Energy: -9.360161414386386
Energy: 1.8718379550138013
Energy: -9.36016141440817
Energy: -3.6133983997388617
Energy: 0.49325253007541864
Energy: -3.197728045352739
Energy: 0.493252530080963
Energy: -3.6133983997388617
Energy: 0.49325253009719994
Energy: -0.6068416044071071
Energy: -2.679004450919702
Energy: 1.5761058633220937
Energy: -2.6790044508761386
Energy: -0.606841641903344
Energy: -2.6790044508761386
Energy: -5.112659093886448
Energy: -7.086332651522669
Energy: -4.042241743809977
Energy: -7.086332651549796
Energy: -5.11265909390823
Energy: -7.086332651549796
Energy: -2.517825642911656
Energy: -7.09535284213566
Energy: -5.175447688063567
Energy: -7.095352842141203
Energy: -2.517825642965911
Energy: -7.09535284213566
Energy: 1.9065690558290171
Energy: -6.348691458028767
Energy: -7.5406325220225705
Energy: -6.34869145686941
Energy: 1.9065690558670354
Energy: -6.348691457827389
Energy: 1.1427912297973821
Energy: -4.479696807790912
Energy: -3.6334904604185634
Energy: -4.479696807796258
Energy: 1.1427911414700267
Energy: -4.479696807703785
Energy: -5.113313978830632
Energy: -7.255620229744366
Energy: 2.0059880642636796
Energy: -7.255620229749911
Energy: -5.1133139788252855
Energy: -7.255620229689913
Energy: -7.673807531163144
Energy: 0.49226307205244435
Energy: -5.824522770387335
Energy: 0.4922630724007464
Energy: -7.673807531157797
Energy: 0.4922630725041083
Energy: 0.31259662866179516
Energy: -6.367462937648588
Energy: -5.6087252953755975
Energy: -6.367462937643045
Energy: 0.3125966473635789
Energy: -4.465292308237926
Energy: 0.014404090544532034
Energy: -6.354202598036376
Energy: -5.846446371356987
Energy: -6.35420259804192
Energy: 0.017621656621403577
Energy: -6.35420259804192
Energy: -7.5313245877991735
Energy: -4.477722841187823
Energy: -5.758271363855834
Energy: -4.477722841193169
Energy: -7.5313245877991735
Energy: -4.477722841198713
Energy: -5.8111597890566795
Energy: -7.284711702441334
Energy: 2.2689050586963955
Energy: -7.284711702430443
Energy: -5.8111597890620255
Energy: -7.284711702441334
Energy: 2.2034014685284813
Energy: -6.494181787832563
Energy: -3.640558667464169
Energy: -6.494181787821672
Energy: 2.2034014686591687
Energy: -6.494181787887015
Energy: 2.4498925897156107
Energy: 3.129130652646819
Energy: -7.610346460545059
Energy: 3.129130652652166
Energy: 2.4498925896938295
Energy: 3.1291306526577105
Energy: -7.7128412873102175
Energy: -7.085267404714265
Energy: -5.122281528875731
Energy: -7.085267404692484
Energy: -7.712841287304673
Energy: -7.085267404692484
Energy: -5.820047493808813
Energy: -4.789702373783303
Energy: 0.9846268768972914
Energy: -4.789702373783303
Energy: -5.82004749381416
Energy: -4.789702373788847
Energy: -2.4745903041228385
Energy: -2.816673555563496
Energy: 1.9071417199006535
Energy: -2.8166735555743867
Energy: -2.474590302816557
Energy: -2.816673555623493
Energy: -3.609666808807844
Energy: 0.22386072519076203
Energy: -4.96878630389093
Energy: 0.22386072517987138
Energy: -3.609666808796953
Energy: 0.22386072519076203
Energy: -4.018813655022911
Energy: -8.788278646233794
Energy: -5.781369036634721
Energy: -8.788278646222905
Energy: -4.036751501206733
Energy: -8.788278646222905
Energy: -4.747722428869904
Energy: 2.0148563238007564
Energy: -0.3520601989642836
Energy: 2.014856323789866
Energy: -4.747722428869904
Energy: 2.0148563237625403
Energy: 0.9060687350248046
Energy: -11.665596666169861
Energy: 3.772704861292178
Energy: -11.665596666164516
Energy: 0.9060687350248046
Energy: -11.665596666164516
Energy: -5.844794388008639
Energy: -1.5152819898107812
Energy: -4.0055962452078875
Energy: -1.5152819898216718
Energy: -5.84479438801953
Energy: -1.5152819897945444

minimum gb energy = -23.552928289576297 eV
minimum distance =  2.7855999590619 Angstroms
sigma value = 41


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

Energy: -27.2554882190252
Energy: -15.914000490470317
Energy: 14.807134840152964
Energy: -15.906238631614332
Energy: -27.254724485669783
Energy: -15.910937923757999
Energy: -17.105246703148236
Energy: -38.20097965271689
Energy: -37.89827570260758
Energy: -38.200979660515756
Energy: -17.288883393418587
Energy: -38.20097965702058
Energy: -27.166911088496896
Energy: -2.4234947756211747
Energy: -38.076582711474806
Energy: -2.423494775689565
Energy: -27.148044136658278
Energy: -2.423494775524672
Energy: 2.2152237098117906
Energy: -38.210773800329406
Energy: -37.6003241256947
Energy: -38.210773809968316
Energy: 2.215223711508831
Energy: -38.21077380521265
Energy: -28.583348962295176
Energy: -37.68108802214119
Energy: -37.69737972960955
Energy: -37.68108802438967
Energy: -27.272304021448388
Energy: -37.68108802349521
Energy: -26.921473662289326
Energy: -31.834059346363013
Energy: -37.44328342372138
Energy: -31.709824686228185
Energy: -26.909206371959783
Energy: -31.72017053062858
Energy: 2.30093289884834
Energy: -37.58065813308786
Energy: -38.200665030902876
Energy: -37.58065813341927
Energy: 2.300932902572476
Energy: -37.58065813279511
Energy: -27.00392232324905
Energy: -38.10673762013833
Energy: -37.3974843202089
Energy: -38.1067376249859
Energy: -27.378993661163435
Energy: -38.10673762415819
Energy: -16.988321605330913
Energy: -32.145558067856754
Energy: -37.389194615646204
Energy: -32.02639950994713
Energy: -16.988208264249593
Energy: -31.793294401883838
Energy: -27.201983180481
Energy: -16.126948325165976
Energy: -37.65780454320807
Energy: -16.126236921427747
Energy: -27.20160284987659
Energy: -16.126470142581155
Energy: -17.4355506538433
Energy: -37.490080890593774
Energy: -37.528140182349176
Energy: -37.49008089073515
Energy: -17.932249230200327
Energy: -37.49008089069947
Energy: -26.69897954879622
Energy: -2.410011164185011
Energy: -8.611175086729883
Energy: -2.4100099812470726
Energy: -26.6983864590492
Energy: -2.41001106929456
Energy: -17.77665643552411
Energy: -38.83618752476626
Energy: -36.110231323383736
Energy: -38.83618775902378
Energy: -17.465957694624006
Energy: -38.83618844085718
Energy: -27.247782167565646
Energy: -16.132517955476164
Energy: -38.250683218919335
Energy: -16.133727510144006
Energy: -27.2320762234298
Energy: -16.131642726836503

minimum gb energy = -38.83618844085718 eV
minimum distance =  2.80891337907896 Angstroms
sigma value = 11


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

Energy: 15.464005978722696
Energy: -3.499321253719235
Energy: 19.22166236719535
Energy: -2.68255939746647
Energy: 15.464005978716164
Energy: -3.914389746621729
Energy: 7.588135327147744
Energy: 0.6662997027032069
Energy: 7.26649872754122
Energy: 0.6661027455318653
Energy: 7.588135327167337
Energy: 0.12000185272917298
Energy: 7.377535528460297
Energy: 6.229234792704221
Energy: 7.394117497697341
Energy: 6.229234794421212
Energy: 7.377535528473359
Energy: 6.22923479328526
Energy: 10.43190318256383
Energy: 0.5463755486136234
Energy: 7.465206590434631
Energy: 0.5544286856770441
Energy: 10.431903182589954
Energy: 0.5544277809013866
Energy: 7.39984494553841
Energy: -0.14469768955489945
Energy: 10.461954347022289
Energy: -1.0547295593807198
Energy: 7.39984494553841
Energy: 0.5113344337436501
Energy: 7.352232193988819
Energy: 6.957233097928932
Energy: 7.330578722034435
Energy: 6.957233097987713
Energy: 7.352232193988819
Energy: 6.95723309796812
Energy: 10.475746901811954
Energy: 1.5965217685973503
Energy: 7.278106941715297
Energy: 1.5915166324984267
Energy: 10.475746901798892
Energy: 1.5990570237219248
Energy: 7.399187355150041
Energy: 5.666374108394686
Energy: 7.445705797069353
Energy: 5.666373984546422
Energy: 7.39918735513698
Energy: 5.6663741394497915
Energy: 7.300637782537854
Energy: 4.935550202448993
Energy: 7.464137271566775
Energy: 4.935238289588697
Energy: 7.30063778257051
Energy: 4.935395967578556
Energy: 7.925065423137594
Energy: 1.2138497383049542
Energy: 10.526193813747799
Energy: 1.2138506758396461
Energy: 7.925065423144125
Energy: 1.2138516874050438
Energy: -19.710727974331416
Energy: -1.2637143081121314
Energy: 6.460053990794516
Energy: -2.3238041028213665
Energy: -19.710727973463122
Energy: -4.67908844739515
Energy: 7.587386419553679
Energy: 3.471310880083551
Energy: 7.332852652622008
Energy: 3.4713108824859606
Energy: 7.5873864195471485
Energy: 3.471310874110123
Energy: 7.262911905947305
Energy: -1.4136628263726796
Energy: 10.421999071948846
Energy: 0.3041782619729423
Energy: 7.262911905940773
Energy: -1.3877622959359441
Energy: 10.455781529484055
Energy: 3.010395844542796
Energy: 10.469068649958102
Energy: 3.0399579747159247
Energy: 10.455781529497118
Energy: 2.542605316571917
Energy: 7.5242829072690505
Energy: -1.1417735420564088
Energy: 7.492423935392435
Energy: -2.592883229759117
Energy: 7.524282907262519
Energy: -3.751919529779443
Energy: 12.25376310148512
Energy: 0.43911968939249457
Energy: 7.230072523446847
Energy: 0.0817412081794397
Energy: 12.25376309854739
Energy: 0.7206888751230206
Energy: 7.298661274288766
Energy: 1.5910068156161228
Energy: 7.369695473365763
Energy: 1.5910068323482056
Energy: 7.298661274295297
Energy: 1.5910068201859386
Energy: 7.478570825931752
Energy: -3.091628504183184
Energy: 7.537685403671277
Energy: -1.8446648046749266
Energy: 7.4785708259186885
Energy: -1.437815470773189
Energy: 10.459220016830711
Energy: -0.7934496298248462
Energy: 10.457948498918618
Energy: -0.19793131821723736
Energy: 10.459220016830711
Energy: 0.4040357821182953
Energy: 7.495682971993257
Energy: -0.968656824813078
Energy: 7.402527817176766
Energy: -0.14348413579402813
Energy: 7.495682971999789
Energy: -0.5506070697510157
Energy: 7.349486826713541
Energy: 3.9679934836967887
Energy: 7.478012636426652
Energy: 3.967993485028559
Energy: 7.349486826746197
Energy: 3.9679934825478926
Energy: 14.713829634645366
Energy: -1.5235838600694847
Energy: 10.529058279736084
Energy: -1.5239373507820098
Energy: 14.713829634638836
Energy: -1.5238978746482736
Energy: 10.96653763142803
Energy: 0.0391621990509492
Energy: 7.942040309527433
Energy: 0.8123286742958695
Energy: 10.966537631447624
Energy: 0.9467798496053729
Energy: 7.469196410607837
Energy: 8.74119103828485
Energy: 7.319556334269087
Energy: 8.741191037932284
Energy: 7.469196410607837
Energy: 8.741191039179267
Energy: 7.381980022244156
Energy: 3.623945374797883
Energy: 7.490357546901913
Energy: 3.623940313530262
Energy: 7.381980022224563
Energy: 3.623937946377948
Energy: 7.281637901181194
Energy: 3.524191080864856
Energy: 10.471927571709225
Energy: 3.5241911972121054
Energy: 7.281637901187725
Energy: 3.524191215426056
Energy: 7.379400664489468
Energy: 4.145569468692639
Energy: 7.470702158957231
Energy: 4.145569440516482
Energy: 7.379400664489468
Energy: 4.145569426793973
Energy: 10.471389409379674
Energy: 3.7905016154166358
Energy: 7.351564565332548
Energy: 3.7905016352887966
Energy: 10.471389409386205
Energy: 3.790501642358872
Energy: 7.387848062972383
Energy: 0.9340027758550662
Energy: 10.466468105753385
Energy: 0.9274320619963512
Energy: 7.387848062985446
Energy: 0.9326695527974853
Energy: 7.424597119462886
Energy: 5.217201671466812
Energy: 7.425099448596144
Energy: 5.217201659617924
Energy: 7.424597119469418
Energy: 5.217201659826802
Energy: 7.2729621038757
Energy: 0.12074396398565981
Energy: 9.53252682953783
Energy: 0.13187501417909242
Energy: 7.272962103862639
Energy: 0.12668006327834216

minimum gb energy = -19.710727974331416 eV
minimum distance =  2.74537001932067 Angstroms
sigma value = 57


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

Energy: 15.938773499095618
Energy: -33.48652458902588
Energy: 24.130946537479534
Energy: -33.426301096601
Energy: 15.938773499088644
Energy: -32.96501108725294
Energy: 15.911016379868869
Energy: -6.867230748794033
Energy: 17.49253836910108
Energy: -10.239108531155185
Energy: 15.911016379875841
Energy: 16.482410217522677
Energy: 17.63682309895956
Energy: 17.545461005362213
Energy: 17.329790040782456
Energy: 17.545461000912972
Energy: 17.63682309895956
Energy: 17.54546100528086
Energy: 17.449929527772422
Energy: -2.9805683648940393
Energy: 17.450072466235262
Energy: -29.05685164077927
Energy: 17.449929527772422
Energy: -1.1408278865604953
Energy: 17.329818066500916
Energy: 17.54591719929918
Energy: 17.636323391696028
Energy: 17.545917199334045
Energy: 17.329818066500916
Energy: 17.54591719960136
Energy: 17.492851384959085
Energy: -12.046320044273878
Energy: 15.907412364484365
Energy: -14.508983099275074
Energy: 17.492851384959085
Energy: -11.627290621418618
Energy: 24.130946537514404
Energy: -34.01936724388741
Energy: 15.938773499088644
Energy: -12.602157997828646
Energy: 24.130946537502783
Energy: -33.675183099948285
Energy: 17.49253836910108
Energy: 3.321319545338073
Energy: 15.91101637986295
Energy: 3.321319545338073
Energy: 17.49253836908946
Energy: 3.321319545338073
Energy: 17.329790040770828
Energy: 17.545461005222958
Energy: 17.63682309895956
Energy: 17.54546100049457
Energy: 17.329790040782456
Energy: 17.545461005501682
Energy: 17.450072466235262
Energy: -2.9805683649405283
Energy: 17.449929527784047
Energy: -1.7753797905357431
Energy: 17.450072466246883
Energy: -28.908534379103145
Energy: 17.636323391684407
Energy: 17.545917199427024
Energy: 17.329818066500916
Energy: 17.54591719949676
Energy: 17.636323391684407
Energy: 17.545917199357287
Energy: 15.907412364490071
Energy: -9.830573738498451
Energy: 17.492851384959085
Energy: -7.7965898303627235
Energy: 15.90741236448669
Energy: -8.431104913588406
Energy: 15.938773499092022
Energy: -33.447983710407996
Energy: 2.7480853336567774
Energy: -16.213632379460442
Energy: 15.9387734990897
Energy: -33.54591837603115
Energy: 15.911016379865275
Energy: 16.48241022319184
Energy: 17.49253836910108
Energy: 16.482410221089257
Energy: 15.911016379861893
Energy: 16.48241021144694
Energy: 17.63682309895956
Energy: 17.5454610053041
Energy: 17.329790040782456
Energy: 17.5454610007735
Energy: 17.63682309895956
Energy: 17.545461000541057
Energy: 17.449929527784047
Energy: -0.6587635646802471
Energy: 17.450072466246883
Energy: -2.980568364952151
Energy: 17.449929527772422
Energy: 0.6997218961390913
Energy: 17.329818066500916
Energy: 17.545917199624604
Energy: 17.636323391684407
Energy: 17.545917199392157
Energy: 17.329818066500916
Energy: 17.545917199624604

minimum gb energy = -34.01936724388741 eV
minimum distance =  2.7623349151636 Angstroms
sigma value = 9


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

Energy: 0.1295985621693044
Energy: -39.51068080626498
Energy: -15.808953927154281
Energy: -39.045394262284404
Energy: 0.12256993961635901
Energy: -39.23006892048397
Energy: -12.382487591982056
Energy: -17.002333540009083
Energy: -30.186394878240566
Energy: -17.002333562451472
Energy: -12.382201567809261
Energy: -17.002333563684605
Energy: -20.84391246411889
Energy: -20.656440336037456
Energy: -21.934618061818288
Energy: -20.656440353632906
Energy: -20.84391246436545
Energy: -20.656440328268925
Energy: -25.582074989608184
Energy: -16.308755571036166
Energy: -24.560043715709867
Energy: -16.30875557150098
Energy: -25.582056362637683
Energy: -16.308755571055144
Energy: -8.855471852565719
Energy: -26.75550267407562
Energy: -11.159363039877844
Energy: -26.755295728395236
Energy: -8.85547180880968
Energy: -26.7554984171659
Energy: -14.162002483749264
Energy: -20.263621316005807
Energy: -12.201943379666059
Energy: -20.264722765487647
Energy: -14.162002483749264
Energy: -20.266201808270136
Energy: -17.667888339521188
Energy: -26.408503205152392
Energy: -10.093965561532494
Energy: -26.4461449900895
Energy: -17.66788833825959
Energy: -26.401735424610653
Energy: -5.934657930963228
Energy: -17.40490834683521
Energy: -16.478473166958004
Energy: -17.404909511669374
Energy: -5.934461656013436
Energy: -17.404864306003613
Energy: -8.880821448425024
Energy: 2.0302368433183786
Energy: -24.55879072484664
Energy: 2.0302368430433533
Energy: -8.881283681473093
Energy: 2.0302368435364673
Energy: -40.70323240357692
Energy: -14.437007251674956
Energy: -15.63872957646633
Energy: -14.437007248876732
Energy: -40.776373102856624
Energy: -14.437007251333332
Energy: -12.98166329048559
Energy: -19.91027809718341
Energy: -24.21298705883827
Energy: -19.910278088637074
Energy: -12.981663280488036
Energy: -19.910278092478634
Energy: -20.410814461181925
Energy: -24.16762715194751
Energy: -24.55628964677217
Energy: -24.16762715614019
Energy: -20.410814461191414
Energy: -24.16762715197598
Energy: -20.218319669464734
Energy: -33.583041308412234
Energy: -24.562199336943515
Energy: -33.58303233852563
Energy: -20.21831965521773
Energy: -33.58303836997143
Energy: -12.857061284691591
Energy: -21.298824239260213
Energy: -24.48073269361826
Energy: -21.30222528778379
Energy: -12.857061285184876
Energy: -21.303566920403608
Energy: -14.619588766516875
Energy: -23.602665761976866
Energy: -8.722462740422726
Energy: -23.602665761929416
Energy: -14.619588759801342
Energy: -23.602665761957883
Energy: -2.7177994221196706
Energy: -39.11384952996955
Energy: -24.21075363949745
Energy: -38.39169924028084
Energy: -2.7178001931111915
Energy: -38.022611090245945
Energy: -2.7038087208871544
Energy: -8.643450430805338
Energy: -24.209497195004147
Energy: -8.643655306527267
Energy: -2.7038087208871544
Energy: -8.6435730795022
Energy: -22.762332240954656
Energy: -26.283937950402933
Energy: -9.548463479518036
Energy: -26.293534980616723
Energy: -22.762332230757817
Energy: -26.27022551696053
Energy: -19.433530064603968
Energy: -26.327776476914106
Energy: -24.485347826861194
Energy: -26.327766166286832
Energy: -19.433530064603968
Energy: -26.327801524439987
Energy: -34.936351040875856
Energy: -23.810807942693433
Energy: -12.306274882536242
Energy: -23.810807942683947
Energy: -34.93634641410234
Energy: -23.810807942683947
Energy: -20.245168980534693
Energy: -23.058706780421886
Energy: -24.555063955057385
Energy: -23.058392853848716
Energy: -20.245180648283938
Energy: -23.059453704888867

minimum gb energy = -40.776373102856624 eV
minimum distance =  2.7845730957815 Angstroms
sigma value = 27


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

Energy: 18.7750325318282
Energy: 17.129668597465237
Energy: -29.960712834709245
Energy: 17.12966858974965
Energy: 18.775032533475276
Energy: 17.129668591020913
Energy: 17.283187392521786
Energy: 16.72255642818971
Energy: 17.295293477314058
Energy: 16.722557252373097
Energy: 17.283187392521786
Energy: 16.722557574071818
Energy: 17.128977924842967
Energy: -11.141434391277965
Energy: 17.299889242686014
Energy: -11.638387690208694
Energy: 17.12897792481097
Energy: -15.367938353661227
Energy: 17.30244785081887
Energy: -12.399551671993336
Energy: 17.119442134891262
Energy: -16.389583658692843
Energy: 17.302447850778872
Energy: -11.84813989702773
Energy: 17.293696151388836
Energy: -10.140756994097016
Energy: 17.29486902758484
Energy: -10.238754849510839
Energy: 17.293696151396833
Energy: -5.276448718484543
Energy: 17.161955177568398
Energy: -11.75057301546507
Energy: 17.262999947182028
Energy: -11.982598271802045
Energy: 17.161955177528405
Energy: -14.986137678796661
Energy: 17.306923267515987
Energy: -12.225218192281595
Energy: 17.282644856242577
Energy: -15.082763226369922
Energy: 17.306923267523985
Energy: -16.459789753716965
Energy: 17.301335646627713
Energy: 16.889182059124135
Energy: 17.29323668882989
Energy: 16.88918256866891
Energy: 17.301335646619716
Energy: 16.889181910623776
Energy: 18.998918756520947
Energy: -27.877282339243727
Energy: 17.63378875013998
Energy: -19.365869421079676
Energy: 18.998918756528948
Energy: -26.08083614388422
Energy: 17.291996490018203
Energy: -29.280209562191107
Energy: 17.490521085140863
Energy: -13.43823418104354
Energy: 17.2919964900342
Energy: -17.128316075043458
Energy: 17.294001304849942
Energy: -20.76324897725534
Energy: 17.490599952960004
Energy: -28.36174602731882
Energy: 17.294001304833944
Energy: -24.05804245354894
Energy: 18.99906228573594
Energy: -28.528687956487566
Energy: 17.677992566901832
Energy: -19.63928289658449
Energy: 18.99906228574394
Energy: -28.506225484010635
Energy: 17.301005403718452
Energy: 16.887335282024317
Energy: 17.29324419338317
Energy: 16.88733592566143
Energy: 17.30100540372645
Energy: 16.887335573292052
Energy: 17.308619604480732
Energy: -15.67968349213793
Energy: 17.283161351929856
Energy: -10.86437319994871
Energy: 17.308619604472735
Energy: -16.2668881343334
Energy: 17.267205542843904
Energy: -15.391558966481483
Energy: 17.267351628561638
Energy: -16.55592633316466
Energy: 17.26720554276391
Energy: -17.242022340867624
Energy: 17.294636738007483
Energy: -11.997012617095056
Energy: 17.294524974061268
Energy: -9.187527269344693
Energy: 17.294636737999483
Energy: -9.962458407366674
Energy: 17.30335240723715
Energy: -13.356086374352888
Energy: -26.60479676930293
Energy: -17.986798242987366
Energy: 17.30335240724515
Energy: -16.433075752688435
Energy: 17.175646726100968
Energy: -16.47292897591346
Energy: 17.30029276550843
Energy: -17.243911870961863
Energy: 17.175646726044977
Energy: -9.44088140406027
Energy: 17.283411633132673
Energy: 16.720840365113414
Energy: 17.29713627558482
Energy: 16.720835855215757
Energy: 17.28341163314067
Energy: 16.72084004322287
Energy: 18.775032610975536
Energy: 17.12966859352345
Energy: 17.704037564986628
Energy: 17.129668593427613
Energy: 18.77503254087119
Energy: 17.129668586487494
Energy: 17.283187392521786
Energy: 16.72255568113092
Energy: 17.295293477298056
Energy: 16.7225512825625
Energy: 17.283187392521786
Energy: 16.722557474311955
Energy: 17.12897792482697
Energy: -15.57336371086978
Energy: 17.299889242670016
Energy: -12.499381932584914
Energy: 17.12897792485882
Energy: -14.920265943572872
Energy: 17.302447850794874
Energy: -11.837216081544055
Energy: 17.119442135003247
Energy: -16.37210620254405
Energy: 17.30244785081887
Energy: -14.318909899210293
Energy: 17.293696151388836
Energy: -4.604722529562816
Energy: 17.294869027560846
Energy: -10.766796366825586
Energy: 17.293696151396833
Energy: -10.153244384500498
Energy: 17.16195517749641
Energy: -13.925537858503525
Energy: 17.262999947270018
Energy: -12.386000060373009
Energy: 17.161955177584396
Energy: -14.882560217440084

minimum gb energy = -29.960712834709245 eV
minimum distance =  2.74006401229739 Angstroms
sigma value = 19


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

Energy: -17.10308837207367
Energy: -16.516277701289038
Energy: 15.16573462647707
Energy: -16.516277701254513
Energy: -17.07283618163328
Energy: -16.516277701268322
Energy: 13.394387333511332
Energy: -21.539259561238474
Energy: -12.975161483614317
Energy: -21.539259539436195
Energy: 13.394387333511332
Energy: -21.53925960217895
Energy: -27.327924199973324
Energy: 6.439746054939688
Energy: -8.261807446714176
Energy: 6.439746054918974
Energy: -27.328015680182343
Energy: 6.439746054932783
Energy: -16.74777172977026
Energy: 1.1115654222986053
Energy: 10.319844243978336
Energy: 1.1115654196207116
Energy: -16.755401419563725
Energy: 1.1115654212701815
Energy: 13.391491150753945
Energy: -25.462396973647657
Energy: 10.318797705013141
Energy: -25.462396980576834
Energy: 13.391491150747042
Energy: -25.462396991412444
Energy: -27.3259451855171
Energy: 5.304187240214624
Energy: 10.330154838636115
Energy: 5.304187240228433
Energy: -27.32595524534609
Energy: 5.304187240228433
Energy: 13.383304073518424
Energy: -35.22645307379737
Energy: 10.317741383512947
Energy: -35.226453074763654
Energy: 13.383304073511518
Energy: -35.22645307263789
Energy: 13.385239967709747
Energy: 5.516295129174687
Energy: 10.335019390941712
Energy: 5.516295129181592
Energy: 13.385239967716652
Energy: 5.516295129181592
Energy: -16.74061329485835
Energy: 1.1083266593213148
Energy: -16.80827648251344
Energy: 1.1083265664114241
Energy: -16.7406170122028
Energy: 1.1083266476920428
Energy: 13.380061904853735
Energy: -12.704638984322314
Energy: -8.26955356548924
Energy: -12.704638984308506
Energy: 13.380061904853735
Energy: -12.704638984322314
Energy: 13.38432367312088
Energy: 6.425006595113448
Energy: -12.97106792455042
Energy: 6.425006595113448
Energy: 13.38432367312088
Energy: 6.4250065951065425
Energy: -13.565955523199575
Energy: -20.403235008139195
Energy: -23.362769376377216
Energy: -20.403235013508663
Energy: -13.565553000064199
Energy: -20.40323500987152
Energy: -14.00026064010322
Energy: -21.73760205186617
Energy: -23.247832449267747
Energy: -21.73760205461989
Energy: -14.000297651358846
Energy: -21.73760205318434
Energy: -27.464856290140684
Energy: 6.425234054073378
Energy: 5.710911949440973
Energy: 6.425234054080283
Energy: -27.464579091945033
Energy: 6.4252340540664745
Energy: 13.378041429962034
Energy: -28.340062861742485
Energy: -8.267587935648418
Energy: -28.34006284201764
Energy: 13.378041429968937
Energy: -28.3400628311337
Energy: 13.396960955922971
Energy: 5.603192816567892
Energy: -23.25761777006346
Energy: 5.603192816567892
Energy: 13.396960955922971
Energy: 5.603192816560988
Energy: -27.327217108955825
Energy: 1.1250056079859367
Energy: -24.383506944018247
Energy: 1.1250056080895072
Energy: -27.327259538173895
Energy: 1.1250056080756978
Energy: 13.370399623224774
Energy: 15.786017756229908
Energy: -12.965740482392548
Energy: 15.730603677466336
Energy: 13.370399623224774
Energy: 15.731757694021196
Energy: -27.330181496775165
Energy: 1.1259175855404853
Energy: -24.382116669617
Energy: 1.1259175854094214
Energy: -27.330546588503935
Energy: 1.1259175853058507
Energy: 13.395953108588827
Energy: 5.60438696852049
Energy: -23.254053422368333
Energy: 5.604386968506681
Energy: 13.395953108588827
Energy: 5.604386968506681
Energy: 13.377753221333982
Energy: -31.741414501156864
Energy: -12.975713341273824
Energy: -31.74141450486996
Energy: 13.377753221327078
Energy: -31.74141448603545
Energy: -27.46220327770636
Energy: 6.423784527030414
Energy: 5.595077372638496
Energy: 6.4237845270511285
Energy: -27.4655416017884
Energy: 6.4237845270511285
Energy: -13.559761644548313
Energy: -21.73903846294668
Energy: -23.24653073310979
Energy: -21.73903845996523
Energy: -13.560487721305767
Energy: -21.739038449937098
Energy: -13.564853859708622
Energy: -20.403564181341082
Energy: -23.240488034210685
Energy: -20.403564178580453
Energy: -13.564803406236575
Energy: -20.403564173542282
Energy: 13.383482561422115
Energy: 6.423417740681316
Energy: -8.272991092971157
Energy: 6.423417740660601
Energy: 13.383482561429018
Energy: 6.423417740667506
Energy: 13.380423434511195
Energy: -12.706800310663745
Energy: -12.980340932739443
Energy: -12.706800310677556
Energy: 13.380423434525007
Energy: -12.706800310649935
Energy: -16.741285105708663
Energy: 5.296306487534086
Energy: -16.808276481312525
Energy: 5.296306487534086
Energy: -16.741232308289796
Energy: 5.296306487540991
Energy: 13.385560932998175
Energy: 5.512047286321127
Energy: 10.335176994465682
Energy: 5.5120472863280305
Energy: 13.385560932991272
Energy: 5.512047286321127
Energy: 13.383177454398062
Energy: -35.22645307423224
Energy: 10.317223836126871
Energy: -35.226453074190815
Energy: 13.383177454425681
Energy: -35.22645307270693

minimum gb energy = -35.226453074763654 eV
minimum distance =  2.93633814561065 Angstroms
sigma value = 101


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

Energy: 8.016178478882537
Energy: -1.6485160121373292
Energy: -2.438072851989329
Energy: -1.6465897086946837
Energy: 8.01617847883398
Energy: -1.6505088005109687
Energy: 4.340408778629915
Energy: -0.27459714467243296
Energy: 14.411310882206468
Energy: -0.316221125776647
Energy: 4.340408782185138
Energy: -0.27358080417738845
Energy: 1.4850179924886902
Energy: 13.31595401672063
Energy: 14.40845604616712
Energy: 13.31636809822813
Energy: 1.485017992555345
Energy: 13.316511165797598
Energy: 15.215624603931989
Energy: 14.111454808256832
Energy: 1.9026883026674566
Energy: 14.111454807959532
Energy: 15.215624603938169
Energy: 12.789839131170242
Energy: 11.37794513242251
Energy: -37.55308932557133
Energy: 1.4936025073223078
Energy: -37.75117598911657
Energy: 11.377935962164953
Energy: -38.309062614144935
Energy: 0.9700844588541537
Energy: 14.566616612142687
Energy: 11.39786220725785
Energy: 14.561492230007813
Energy: 0.9700765868349973
Energy: 14.566620776579201
Energy: 1.4755557685817304
Energy: 15.01047923071602
Energy: -2.4871814096399447
Energy: 15.010479223915011
Energy: 1.4755557686060088
Energy: 15.010479224570302
Energy: 1.502552414199731
Energy: 15.797195962353682
Energy: 1.4264618746208602
Energy: -35.279205721723834
Energy: 1.5025524142118705
Energy: 15.797195962274666
Energy: 12.72777868052912
Energy: -15.203918459327802
Energy: 2.893232212684374
Energy: -15.304565344978155
Energy: 12.727794978455192
Energy: -15.144264856048835
Energy: -2.4858806462722414
Energy: 13.822101463372134
Energy: 11.371384654828802
Energy: 13.821646089468748
Energy: -2.48588066219173
Energy: 13.821932195674815
Energy: -1.0713533343646449
Energy: 13.674498208760033
Energy: -32.23254871328613
Energy: 13.674498208911663
Energy: -1.0713533343160881
Energy: 13.674498208887382
Energy: 14.419739425287826
Energy: -19.58374628665563
Energy: -2.486881452836735
Energy: -34.58438484990911
Energy: 14.419739425457777
Energy: -38.757109998912824
Energy: 14.406013497830392
Energy: 13.772211896215449
Energy: 15.150506060105853
Energy: 13.772409242472738
Energy: 14.40601349783635
Energy: 13.772435176871511
Energy: 3.900414846278015
Energy: -27.537592821390596
Energy: 7.176151591708151
Energy: -21.50678507147617
Energy: 3.9002572978724293
Energy: -27.930083823317144
Energy: -2.485764317350896
Energy: -1.5130469667078275
Energy: 4.360612771758805
Energy: -1.5137337675034175
Energy: -2.485764306042294
Energy: -1.5124780070022517
Energy: 14.399032782488705
Energy: 14.15208717053072
Energy: 1.4523257678276138
Energy: 14.152087171265027
Energy: 14.399032782482749
Energy: 14.152087170718985
Energy: -2.469852986575467
Energy: 13.457307118892494
Energy: 15.21884219755939
Energy: 13.35387263309187
Energy: -2.4698535811838602
Energy: 13.457833543075036
Energy: 1.2357148397176902
Energy: 12.211777644674225
Energy: 11.389488689842086
Energy: 12.570476690947494
Energy: 1.235714834815685
Energy: 11.792558343935813
Energy: 4.864480395131231
Energy: 13.490861232485242
Energy: 1.8785157882391899
Energy: 13.479152107992173
Energy: 4.864480395082675
Energy: 12.672572591685983
Energy: 13.093010493980263
Energy: 12.676082435664046
Energy: -2.466650858171307
Energy: 12.676408216491449
Energy: 13.093010493950025
Energy: 12.676399547703522
Energy: 4.387060085217673
Energy: 13.565561515365696
Energy: 1.4838797121531035
Energy: 13.758933786085297
Energy: 4.387060085223854
Energy: 13.565558697933152
Energy: 4.871275095299879
Energy: 14.038227772237251
Energy: 13.092057388597885
Energy: 14.038227770211117
Energy: 4.871275095281781
Energy: 14.038227770314192
Energy: 1.2040749468214023
Energy: 14.584399565074834
Energy: 11.392928002657621
Energy: 14.584399564522837
Energy: 1.204074946803083
Energy: 14.58439956463209
Energy: 15.163866822384335
Energy: 13.840759700860128
Energy: -1.8007326356725368
Energy: 13.840759670507644
Energy: 15.163866822378374
Energy: -28.556160957700534
Energy: -2.490513369403014
Energy: -0.8204178237821921
Energy: 12.715916892999896
Energy: -0.8204178272888586
Energy: -2.4905460916096995
Energy: -0.8204178305103654
Energy: 11.386129819010527
Energy: 13.198307433445525
Energy: 14.40570281869298
Energy: 13.151911517473948
Energy: 11.38613021548675
Energy: 13.168556754653958
Energy: 7.077799617230626
Energy: -26.15589835767079
Energy: 2.2222364883442682
Energy: -25.96516679144875
Energy: 7.077799617521744
Energy: -26.270033056970828
Energy: 6.682921581786862
Energy: 13.32119367639337
Energy: 5.332542633017918
Energy: 13.32119367747331
Energy: 6.682921602917793
Energy: 13.321193676551179
Energy: 5.894839410596233
Energy: 14.229286846056816
Energy: -5.66444632894008
Energy: 14.229286846311519
Energy: 5.894839410608372
Energy: 14.22928684586259
Energy: 11.305707122903847
Energy: -1.4719105730782114
Energy: 11.403785443449044
Energy: -1.558661662449567
Energy: 11.294998846630618
Energy: -1.4721674641498954
Energy: 15.136052246725248
Energy: 12.586617496810296
Energy: 1.5369298262961788
Energy: 12.358754576776507
Energy: 15.136052246725248
Energy: 13.05592902375961
Energy: 2.227384355286022
Energy: 12.550730678603802
Energy: 11.387756917863456
Energy: 12.56747993511862
Energy: 2.227418183453757
Energy: 12.568194513994051
Energy: -2.468725742146601
Energy: 13.152059600054008
Energy: 1.3159343737937212
Energy: 13.152059600351306
Energy: -2.468728114258553
Energy: 13.152059600612185

minimum gb energy = -38.757109998912824 eV
minimum distance =  2.80604336089266 Angstroms
sigma value = 33


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