Model name: model_name=MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657325506211
cohesive_energy=4.29033744093271
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.8556409774987998e-19, 2.4558483881278797e-19, 3.6251489391537603e-19, 4.0814328227506194e-19, 4.466163497873039e-19, 4.7975577128496e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.8531503342715995e-19, 6.825224395540979e-19, 6.78207777878736e-19, 6.72084258783588e-19, 6.638154251755139e-19, 6.52978302423138e-19, 6.390537852970439e-19, 6.21410616203436e-19, 5.99265330768288e-19, 5.716470099513959e-19, 5.37333192981018e-19, 4.94780983758612e-19, 4.42026113730894e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01318507241446879
Energy: 1.1093727651430303
Energy: 1.982359807283071
Energy: 0.0134717877087511
Energy: 1.1093727651459455
Energy: 0.22657581090066117
Energy: 1.1092949204757145
Energy: 0.22657581090066117
Energy: 1.9823598072811275
Energy: 1.1092949204757145
Energy: 1.4384230426646565
Energy: 1.1092949204757145
Energy: 0.0134717877087511
Energy: 0.22657581090066117
Energy: 1.1092949204757145
Energy: 0.22657581090066117

minimum gb energy = 0.01318507241446879 eV
minimum distance =  2.43819073396412 Angstroms
sigma value = 1


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

Energy: 2.161114308645006
Energy: 1.1417221349318045
Energy: 1.1667646856098297
Energy: 1.0275898968159185
Energy: 1.8646459891502634
Energy: 0.8983109927584475
Energy: 0.8986964637443401
Energy: 0.8983109927572352
Energy: 1.8519647435711706
Energy: 0.8982497784673144
Energy: 0.8989696086829381
Energy: 0.8982497784673144
Energy: 1.862487698315807
Energy: 0.8981678047161638
Energy: 0.8983963129427515
Energy: 0.8981678047149515
Energy: 1.5350653773729424
Energy: 0.9051989790900459
Energy: 1.214707886929993
Energy: 0.9051989790888336
Energy: 1.8629706767147194
Energy: 0.8975512654144582
Energy: 1.1706933976348624
Energy: 0.8975512654144582
Energy: 1.6703297127822379
Energy: 0.8972911253372847
Energy: 1.1734357966637925
Energy: 0.8972911253372847
Energy: 1.5409238898077076
Energy: 0.8971334682261626
Energy: 1.173143884688169
Energy: 0.8971334682237382
Energy: 1.3478252893821414
Energy: 0.9000079938446683
Energy: 1.5790309344391706
Energy: 0.9000079938470926
Energy: 1.5395986291785229
Energy: 0.9654616478533562
Energy: 1.5499078895835285
Energy: 0.9654616478533562
Energy: 1.4933933205760623
Energy: 0.9652863757295461
Energy: 1.4428737572378305
Energy: 0.9652863757307584
Energy: 1.1739333936231862
Energy: 0.8973021356128715
Energy: 1.536596329408976
Energy: 0.8973021356128715
Energy: 1.173401792250922
Energy: 0.8973645261155963
Energy: 1.5369808449897662
Energy: 0.8973645261155963
Energy: 1.1576390216058103
Energy: 0.8974967404370497
Energy: 1.8629704925659138
Energy: 0.8974967404358375
Energy: 1.1803445768158016
Energy: 0.9050044908377658
Energy: 1.6256931226835798
Energy: 0.905004490838978
Energy: 0.8983684087284302
Energy: 0.8984517038740948
Energy: 1.853147089099818
Energy: 0.8984517038740948
Energy: 0.8980121232234823
Energy: 0.8983777277136571
Energy: 1.8579125226045914
Energy: 0.8983777277160816
Energy: 0.8973403940759207
Energy: 0.8978067372919833
Energy: 1.8652659125654643
Energy: 0.8978067372931957
Energy: 0.8981509973012365
Energy: 0.8988691178249267
Energy: 1.7379677903842028
Energy: 0.8988691178249267
Energy: 0.9804817158621583
Energy: 0.8981298852467073
Energy: 1.8554504388146418
Energy: 0.8981298852454951
Energy: 0.9972350792641066
Energy: 0.8980589569869661
Energy: 1.861150849400853
Energy: 0.8980589569857539
Energy: 0.9975729372757416
Energy: 0.8974482592406048
Energy: 1.7413771083419194
Energy: 0.8974482592418168
Energy: 1.0035622490446217
Energy: 0.8980220007595606
Energy: 1.5350769178325603
Energy: 0.8980220007607728
Energy: 1.35169770869121
Energy: 0.8979710491479932
Energy: 1.741509576210256
Energy: 0.8979710491492054
Energy: 1.349625327012036
Energy: 0.898707726927097
Energy: 1.7413395702900243
Energy: 0.898707726925885
Energy: 1.351155995283332
Energy: 0.9688329854443891
Energy: 1.3486530374983539
Energy: 0.9688329854456013
Energy: 1.3497825643454846
Energy: 0.966904237887996
Energy: 1.348977554535056
Energy: 0.9669042378867839
Energy: 1.7417241140747581
Energy: 0.8976231446433549
Energy: 1.350616921506803
Energy: 0.8976231446433549
Energy: 1.6268352414174558
Energy: 0.89755910020464
Energy: 1.3613560550071386
Energy: 0.89755910020464
Energy: 1.6258404555511419
Energy: 0.8975883026343884
Energy: 0.9971944804254651
Energy: 0.8975883026355453
Energy: 1.7421591422869322
Energy: 0.8978039423566431
Energy: 1.025101912910029
Energy: 0.8978039423566431
Energy: 1.8612140039431342
Energy: 0.8980902585812987
Energy: 0.9832687955732321
Energy: 0.8980902585812987
Energy: 1.8490599066547182
Energy: 0.8980144127552537
Energy: 0.9809798398691179
Energy: 0.8980144127540416

minimum gb energy = 0.8971334682237382 eV
minimum distance =  2.34900250608534 Angstroms
sigma value = 1


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

Energy: 2.4334350194509584
Energy: 1.0568655578898838
Energy: 0.9317421495759576
Energy: 1.114119619638104
Energy: 1.7840788314145404
Energy: 0.9317632107834029
Energy: 0.9307838789620911
Energy: 0.9317632107834029
Energy: 1.7826774699659573
Energy: 0.9310816771021415
Energy: 0.9297476896460664
Energy: 0.9310816771021415
Energy: 1.7838802834282947
Energy: 0.9317162073866869
Energy: 0.9314044569044279
Energy: 0.9317162073866869
Energy: 1.5472874971580635
Energy: 0.931702497187361
Energy: 1.1269632176224316
Energy: 0.931702497187361
Energy: 1.7838568474331842
Energy: 0.93120955532969
Energy: 1.1255183525606542
Energy: 0.93120955532969
Energy: 1.7838460869164303
Energy: 0.9320870099512273
Energy: 1.1433155290523505
Energy: 0.9320870099512273
Energy: 1.5499740338832992
Energy: 0.9339416192204566
Energy: 1.1423889000316616
Energy: 0.9339416192204566
Energy: 1.5497555004718855
Energy: 1.0141869283212197
Energy: 1.3944432393830268
Energy: 1.0141869283226017
Energy: 1.5496587283350003
Energy: 1.0151136469991746
Energy: 1.5485794867245548
Energy: 1.0151136469991746
Energy: 1.5493736123004038
Energy: 1.0142370227815105
Energy: 1.3235754851960875
Energy: 1.0142370227815105
Energy: 1.142613545013758
Energy: 0.9322357170451746
Energy: 1.3257536614620018
Energy: 0.9322357170451746
Energy: 1.1424556382005473
Energy: 0.9308484811581337
Energy: 1.5492053011100466
Energy: 0.9308484811581337
Energy: 1.1269890596466798
Energy: 0.9315675457651912
Energy: 1.784366239300586
Energy: 0.9315675457665733
Energy: 1.1270537678322046
Energy: 0.9316958825078258
Energy: 1.7641045097438548
Energy: 0.9316958825078258
Energy: 0.9301490439066261
Energy: 0.9312624749556327
Energy: 1.7637656093032805
Energy: 0.9312624749556327
Energy: 0.930411444246422
Energy: 0.9308283023615709
Energy: 1.7837986534706696
Energy: 0.9308283023615709
Energy: 0.9304284174203811
Energy: 0.9321247026781571
Energy: 1.784058555830741
Energy: 0.9321247026781571
Energy: 0.9308630768408042
Energy: 0.9316388870817034
Energy: 1.547359661776121
Energy: 0.9316388870830856
Energy: 1.1262036992014313
Energy: 0.9315367015702273
Energy: 1.783977456956162
Energy: 0.9315367015702273
Energy: 1.142293381654318
Energy: 0.9313850487724978
Energy: 1.7828289640958284
Energy: 0.9313850487711157
Energy: 1.1421584659566348
Energy: 0.9332071478527527
Energy: 1.5494152384531714
Energy: 0.9332071478527527
Energy: 1.142680215353202
Energy: 1.0138562890983425
Energy: 1.5500187174944224
Energy: 1.0138562890983425
Energy: 1.5490471677498114
Energy: 1.0146464807827662
Energy: 1.5487999400446961
Energy: 1.0146464807827662
Energy: 1.323902554541768
Energy: 1.015810635058968
Energy: 1.5511069165002844
Energy: 1.015810635058968
Energy: 1.3239393790763239
Energy: 0.931850843512213
Energy: 1.1903234222379593
Energy: 0.931850843512213
Energy: 1.5493732652290388
Energy: 0.9311654056820852
Energy: 1.1421892121513912
Energy: 0.9311654056820852
Energy: 1.7840153450107263
Energy: 0.9314269319235334
Energy: 1.1268171764115154
Energy: 0.9314269319235334
Energy: 1.7641970566066238
Energy: 0.9317019488782411
Energy: 1.1274297024695137
Energy: 0.9317019488782411

minimum gb energy = 0.9297476896460664 eV
minimum distance =  2.35684592882692 Angstroms
sigma value = 25


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

Energy: 2.29113221645676
Energy: 0.9941279374549165
Energy: 0.9940278219471582
Energy: 1.1152586444923545
Energy: 1.6800434383645084
Energy: 0.9936496817647235
Energy: 0.9939000311121984
Energy: 0.9936496817647235
Energy: 1.6803562546273794
Energy: 0.9928337797361879
Energy: 0.9928260119205934
Energy: 0.9928337797361879
Energy: 1.680338853834697
Energy: 0.9937347946526104
Energy: 0.9933843449095805
Energy: 0.993734794654217
Energy: 1.5640930631567822
Energy: 1.0183845208479592
Energy: 1.3052256657381518
Energy: 1.0183845208495659
Energy: 1.6787438393107346
Energy: 0.9942610173416909
Energy: 1.318488860088036
Energy: 0.9942610173400842
Energy: 1.6802749163953112
Energy: 1.0820119025819606
Energy: 1.3559993530786896
Energy: 1.0820119025819606
Energy: 1.3546347616890173
Energy: 1.083254863641066
Energy: 1.3514129472071486
Energy: 1.083254863641066
Energy: 1.3562580262201163
Energy: 1.0837142603982342
Energy: 1.4821291772890341
Energy: 1.0837142603982342
Energy: 1.3190896396450642
Energy: 1.0104224817816925
Energy: 1.6797889675592677
Energy: 1.0104224817816925
Energy: 1.3331049004381423
Energy: 1.0182639060370433
Energy: 1.679009480595369
Energy: 1.0182639060354368
Energy: 0.9928889579427838
Energy: 0.9937372270647556
Energy: 1.7145647763717387
Energy: 0.9937372270647556
Energy: 0.9922456930237882
Energy: 0.9928508024602148
Energy: 1.6809786168403253
Energy: 0.9928508024602148
Energy: 0.9936434128362158
Energy: 1.0368152910758495
Energy: 1.6801009567361698
Energy: 1.0368152910758495
Energy: 0.9923846491383918
Energy: 0.9958659420369564
Energy: 1.5631441827798753
Energy: 0.9958659420369564
Energy: 1.1100690059703315
Energy: 0.9939083836338188
Energy: 1.677733450662541
Energy: 0.9939083836338188
Energy: 1.1285528605189779
Energy: 0.9930115354202643
Energy: 1.6846823851114812
Energy: 0.9930115354202643
Energy: 1.1287954132091875
Energy: 0.9935710558290479
Energy: 1.5604682328049957
Energy: 0.9935710558290479
Energy: 1.1470596299122409
Energy: 0.9931312985417254
Energy: 1.3536072479150916
Energy: 0.9931312985417254
Energy: 1.5606132250076477
Energy: 1.0858660405148277
Energy: 1.561201694727037
Energy: 1.0858660405148277
Energy: 1.4476060117586644
Energy: 0.9933703944335653
Energy: 1.560984536451379
Energy: 0.9933703944335653
Energy: 1.4476832315071995
Energy: 0.9930562159150073
Energy: 1.1588790334549193
Energy: 0.9930562159166139
Energy: 1.5612731231363068
Energy: 0.9933114859457937
Energy: 1.171137110991644
Energy: 0.9933114859457937
Energy: 1.6839952987377165
Energy: 0.9934992249195154
Energy: 1.1229196923530915
Energy: 0.9934992249195154
Energy: 1.677133897137278
Energy: 0.9939979420520593
Energy: 1.095583019790462
Energy: 0.9939979420520593

minimum gb energy = 0.9922456930237882 eV
minimum distance =  2.34254514680402 Angstroms
sigma value = 9


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

Energy: 2.031953765494921
Energy: 1.0230408745607373
Energy: 1.0226779784356381
Energy: 1.2071236534701246
Energy: 1.566437570499361
Energy: 1.0926276135371018
Energy: 1.0231171114573825
Energy: 1.0926276135372759
Energy: 1.5675297753131539
Energy: 1.0230855810226966
Energy: 1.0194667702871045
Energy: 1.0230855810226966
Energy: 1.5657706819969963
Energy: 1.0208218517251326
Energy: 1.0203107283636668
Energy: 1.020821851725503
Energy: 1.3071039931673891
Energy: 1.0243338747139377
Energy: 1.2742231645858066
Energy: 1.0243338747137418
Energy: 1.5656067259025064
Energy: 1.0913717470095643
Energy: 1.2751301538081115
Energy: 1.0913717470093682
Energy: 1.5650136331996307
Energy: 1.0203422082475837
Energy: 1.0045991692643523
Energy: 1.020342208248172
Energy: 1.3173529402579816
Energy: 1.1416497862327009
Energy: 1.3150571990379072
Energy: 1.141649786232897
Energy: 1.3164199303368211
Energy: 1.1425369146383864
Energy: 1.5657213945046224
Energy: 1.1425369146383864
Energy: 1.3651102913828996
Energy: 1.0205528768083758
Energy: 1.5654318790652169
Energy: 1.0205528768085501
Energy: 1.2750759233189806
Energy: 1.0239117015807786
Energy: 1.533509822784715
Energy: 1.0239117015807786
Energy: 1.0197982095199472
Energy: 1.02063511569245
Energy: 1.5356129623009047
Energy: 1.0206351156932125
Energy: 1.0225014281579596
Energy: 1.0230359185661622
Energy: 1.566547364190131
Energy: 1.023035918565792
Energy: 1.0229793517724235
Energy: 1.0934315845538343
Energy: 1.5658471927907431
Energy: 1.0934315845540306
Energy: 1.0233270774826169
Energy: 1.024248837889448
Energy: 1.3075885356029362
Energy: 1.0242488378898402
Energy: 1.2772396677215259
Energy: 1.0903621820026372
Energy: 1.5658724353490665
Energy: 1.090362182001875
Energy: 1.0039311820895203
Energy: 1.0211542732263457
Energy: 1.5657647199589981
Energy: 1.0211542732267378
Energy: 1.003984896635963
Energy: 1.1425668049116948
Energy: 1.3651555661740638
Energy: 1.1425668049118909
Energy: 1.3159261098068527
Energy: 1.1426976709908585
Energy: 1.3154101340779645
Energy: 1.1426976709908585
Energy: 1.56635371896325
Energy: 1.1422225090219948
Energy: 1.3662047322111202
Energy: 1.142222509022387
Energy: 1.5350121801649466
Energy: 1.0233767461808463
Energy: 1.2748276984562803
Energy: 1.0233767461808463

minimum gb energy = 1.0039311820895203 eV
minimum distance =  2.3564042757772 Angstroms
sigma value = 25


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

Energy: 1.781062522847084
Energy: 1.1264840715579667
Energy: 1.1272426151771966
Energy: 1.1478821312550436
Energy: 1.4331660871248446
Energy: 1.2284671975616064
Energy: 1.2288285174822822
Energy: 1.2284671975616064
Energy: 1.3803395205708975
Energy: 1.1258704317777084
Energy: 1.1240774805510279
Energy: 1.1258704317777084
Energy: 1.4298855787427664
Energy: 1.1416866993295098
Energy: 1.1408036036168905
Energy: 1.1416866993295098
Energy: 1.3131829507468527
Energy: 1.1637226292886311
Energy: 1.379509400152448
Energy: 1.1637226292881462
Energy: 1.3815280847674678
Energy: 1.194550284271918
Energy: 1.3812938211244696
Energy: 1.194550284271918
Energy: 1.3789479357625438
Energy: 1.1649050252397863
Energy: 1.4445624711852032
Energy: 1.1649050252395712
Energy: 1.12457710256537
Energy: 1.12613244095671
Energy: 1.4453027442014663
Energy: 1.12613244095671
Energy: 1.1237107009093092
Energy: 1.125035035411925
Energy: 1.4309456515487071
Energy: 1.125035035411925
Energy: 1.2285375324965198
Energy: 1.1557714201635205
Energy: 1.4334162825675711
Energy: 1.1557714201637628
Energy: 1.1388170375010351
Energy: 1.126347080679072
Energy: 1.425251026269015
Energy: 1.126347080679072
Energy: 1.2669613252287264
Energy: 1.1548467332550734
Energy: 1.4262293465118314
Energy: 1.1548467332548311
Energy: 1.3183896841944414
Energy: 1.1250076628247951
Energy: 1.431151240783476
Energy: 1.1250076628243104
Energy: 1.3183583506189178
Energy: 1.1252996472892243
Energy: 1.3214648023730697
Energy: 1.1252996472892243
Energy: 1.381299324514493
Energy: 1.1258631425038712
Energy: 1.318720457581819
Energy: 1.125863142504114
Energy: 1.4317982919189232
Energy: 1.1262516660037363
Energy: 1.3803201807547525
Energy: 1.126251666003494
Energy: 1.3767257214709085
Energy: 1.1259497195980794
Energy: 1.2665824152839351
Energy: 1.1259497195988066

minimum gb energy = 1.1237107009093092 eV
minimum distance =  2.31966649928828 Angstroms
sigma value = 17


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

Energy: 1.6286211777839095
Energy: 1.1995957148600533
Energy: 1.1988483922325974
Energy: 1.1857382599401856
Energy: 1.378574129714361
Energy: 1.3152021547455162
Energy: 1.3152863741750551
Energy: 1.3152021547455162
Energy: 1.3912291681012834
Energy: 1.1972826485552148
Energy: 1.1968568711415224
Energy: 1.1972826485552148
Energy: 1.383336732993785
Energy: 1.2011293552380666
Energy: 1.2012581637153474
Energy: 1.2011293552380666
Energy: 1.3812258848278007
Energy: 1.2311066917379112
Energy: 1.380128479181964
Energy: 1.2311066917379112
Energy: 1.3912313179275688
Energy: 1.1671708948744002
Energy: 1.3818901894034172
Energy: 1.1671708948730575
Energy: 1.34149891114121
Energy: 1.1660161575140984
Energy: 1.3765831622526465
Energy: 1.1660161575140984
Energy: 1.221187759688307
Energy: 1.2215052561846351
Energy: 1.404378112675379
Energy: 1.2215052561846351
Energy: 1.1798826384015046
Energy: 1.1651485704373739
Energy: 1.390832919848856
Energy: 1.1651485704387161
Energy: 1.1852379454471775
Energy: 1.17951485804375
Energy: 1.390562503266384
Energy: 1.1795148580450927
Energy: 1.1893354922553836
Energy: 1.1683760931374219
Energy: 1.3778579735546257
Energy: 1.1683760931374219
Energy: 1.3884626786666705
Energy: 1.1870629961421582
Energy: 1.3924165233867947
Energy: 1.1870629961421582
Energy: 1.3793945318643692
Energy: 1.1870548395548457
Energy: 1.3871386341602976
Energy: 1.1870548395548457
Energy: 1.3794612575213292
Energy: 1.1662657461868744
Energy: 1.1879534702557462
Energy: 1.1662657461868744
Energy: 1.3908405912221922
Energy: 1.165708016906977
Energy: 1.1844176884250575
Energy: 1.1657080169083194
Energy: 1.3907648363514353
Energy: 1.1659782350337415
Energy: 1.2033249175947691
Energy: 1.1659782350350842
Energy: 1.3956906825078559
Energy: 1.1657689947568837
Energy: 1.1783096799566821
Energy: 1.165768994758226
Energy: 1.395719106101627
Energy: 1.178964674587778
Energy: 1.354730953424591
Energy: 1.178964674587778
Energy: 1.3813673909141342
Energy: 1.16594616737771
Energy: 1.3794086011821791
Energy: 1.1659461673763678
Energy: 1.2697653222648357
Energy: 1.2300029047304286
Energy: 1.3672330381754993
Energy: 1.2300029047304286
Energy: 1.2006792838852847
Energy: 1.2007683566904515
Energy: 1.377794408079143
Energy: 1.2007683566904515
Energy: 1.198395686157559
Energy: 1.1975552065412436
Energy: 1.3782674579690062
Energy: 1.197555206539901
Energy: 1.3162732638890442
Energy: 1.315111855694297
Energy: 1.389544864179914
Energy: 1.315111855694297
Energy: 1.2637505716770492
Energy: 1.1982357489001232
Energy: 1.3950208199346792
Energy: 1.198235748898781
Energy: 1.3637337707478203
Energy: 1.1980664412951518
Energy: 1.3782677832408057
Energy: 1.1980664412951518
Energy: 1.2995506691200074
Energy: 1.1970169216987165
Energy: 1.3792735259647326
Energy: 1.1970169216987165
Energy: 1.327926931257544
Energy: 1.232578567702543
Energy: 1.3038812657956913
Energy: 1.2325785677038852
Energy: 1.3920388388244207
Energy: 1.1972273517168108
Energy: 1.2996855508009573
Energy: 1.1972273517154686
Energy: 1.378525028829932
Energy: 1.2139809740871144
Energy: 1.4211862158058375
Energy: 1.2139809740871144
Energy: 1.4011285376947544
Energy: 1.1980694999884005
Energy: 1.249279880031823
Energy: 1.1980694999884005

minimum gb energy = 1.1651485704373739 eV
minimum distance =  2.30093199185901 Angstroms
sigma value = 53


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

Energy: 1.137215767648938
Energy: 1.1731795045039826
Energy: 1.2291072583651277
Energy: 1.1467990367777836
Energy: 1.1779177363329165
Energy: 1.1741778986255023
Energy: 1.2240958265534514
Energy: 1.174177898624238
Energy: 1.315837241286052
Energy: 1.1813803437336647
Energy: 1.2223335992195024
Energy: 1.1813803437333488
Energy: 1.3069961004307655
Energy: 1.2255749923650865
Energy: 1.3025416066022688
Energy: 1.2255749923641734
Energy: 1.312763771297233
Energy: 1.1768786723971731
Energy: 1.2222943692303854
Energy: 1.1768786723974891
Energy: 1.3046974712062014
Energy: 1.1723958639761474
Energy: 1.3060974297776
Energy: 1.1723958639742862
Energy: 1.3110318509201935
Energy: 1.1768250623875318
Energy: 1.1406143222926588
Energy: 1.1768250623532552
Energy: 1.2221405387684399
Energy: 1.1781263020397275
Energy: 1.1417418366895282
Energy: 1.1781263020397275
Energy: 1.2245523307713257
Energy: 1.1773296246887237
Energy: 1.3112236226062752
Energy: 1.17732962468904
Energy: 1.222348183407325
Energy: 1.1838421328182103
Energy: 1.305714376867925
Energy: 1.1838421328182103
Energy: 1.2230586927202234
Energy: 1.172058903336344
Energy: 1.3127089491304766
Energy: 1.1720589033360278
Energy: 1.307142882972137
Energy: 1.2250975574698966
Energy: 1.307440300613919
Energy: 1.2250975574702128
Energy: 1.1412160577365076
Energy: 1.1780340587989286
Energy: 1.3126479745720725
Energy: 1.1780340587992448

minimum gb energy = 1.137215767648938 eV
minimum distance =  2.30922506536633 Angstroms
sigma value = 9


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

Energy: 2.0167418254973533
Energy: 1.3952970379786422
Energy: 1.4088741846469484
Energy: 1.3609437300175058
Energy: 1.4253057362208226
Energy: 1.3659691994697796
Energy: 1.4386215975583556
Energy: 1.3659691994697796
Energy: 1.3591913192068903
Energy: 1.3231801228619993
Energy: 1.357112268878238
Energy: 1.323180122863143
Energy: 1.3591034324166467
Energy: 1.3266942709674785
Energy: 1.3402803948546782
Energy: 1.3266942709651908
Energy: 1.338800008389417
Energy: 1.3224209162528686
Energy: 1.3738490180652527
Energy: 1.3224209162517249
Energy: 1.4262841277288425
Energy: 1.3503484872263665
Energy: 1.4138551732898972
Energy: 1.3503484872252225
Energy: 1.4385150301521918
Energy: 1.4395396063639523
Energy: 1.6432589263904456
Energy: 1.4395396063639523
Energy: 1.5339476333626418
Energy: 1.4381910753898277
Energy: 1.6432304297785787
Energy: 1.43819107538754
Energy: 1.5210453701795266
Energy: 1.2604232541552909
Energy: 1.441681786460595
Energy: 1.2604232541552909
Energy: 1.4029173024385404
Energy: 1.260303262516912
Energy: 1.2608797410033437
Energy: 1.2603032625157682
Energy: 1.5056060029024987
Energy: 1.2615028548046063
Energy: 1.2582897625174945
Energy: 1.2615028548046063
Energy: 1.4575440379790536
Energy: 1.339755917586604
Energy: 1.3324659902146672
Energy: 1.3397559175877478
Energy: 1.5818790997279928
Energy: 1.3282312871992679
Energy: 1.3278947239799788
Energy: 1.3282312871981239
Energy: 1.5813657155612
Energy: 1.3283891764532068
Energy: 1.5278600675167984
Energy: 1.3283891764532068
Energy: 1.480787659983545
Energy: 1.2640618009743354
Energy: 1.5268863577991474
Energy: 1.2640618009743354
Energy: 1.348549365531261
Energy: 1.2501646564799644
Energy: 1.5548477850132183
Energy: 1.2501646564788207
Energy: 1.2489278413260172
Energy: 1.249760276883155
Energy: 1.6043290972016864
Energy: 1.249760276883155
Energy: 1.3269982554627964
Energy: 1.327616559806467
Energy: 1.550228802497579
Energy: 1.327616559806467
Energy: 1.2697349592554987
Energy: 1.272075425970971
Energy: 1.6468018163980023
Energy: 1.272075425970971
Energy: 1.3729291808202715
Energy: 1.2994825425403909
Energy: 1.6003884437815534
Energy: 1.2994825425426786
Energy: 1.4942154772713847
Energy: 1.2815276090465155
Energy: 1.4936947321600034
Energy: 1.2815276090465155
Energy: 1.5271281711797529
Energy: 1.272177042701444
Energy: 1.4929125239492957
Energy: 1.272177042701444
Energy: 1.5236159065760402
Energy: 1.2721838256112554
Energy: 1.2715767013203414
Energy: 1.2721838256101117
Energy: 1.5285200556889287
Energy: 1.2972726067424376
Energy: 1.272161147620101
Energy: 1.2972726067424376
Energy: 1.6073621532149156
Energy: 1.250149180340187
Energy: 1.2473832321201295
Energy: 1.2501491803424747
Energy: 1.4807254914993333
Energy: 1.2499854949414373
Energy: 1.2502201773755837
Energy: 1.249985494943725
Energy: 1.5493980913925152
Energy: 1.249415181607938
Energy: 1.5000353730835654
Energy: 1.249415181606794
Energy: 1.526266370185635
Energy: 1.334054988782486
Energy: 1.6143143466241285
Energy: 1.334054988782486
Energy: 1.3273031695763708
Energy: 1.338541767831017
Energy: 1.6454061533311188
Energy: 1.3385417678298732
Energy: 1.3267517626673988
Energy: 1.3775290277073493
Energy: 1.5618693389777554
Energy: 1.3775290277062053
Energy: 1.2599406634058998
Energy: 1.3303372366255215
Energy: 1.5142569489315945
Energy: 1.3303372366255215
Energy: 1.2606969247560948
Energy: 1.2613500021888675
Energy: 1.4924324080528861
Energy: 1.2613500021900113
Energy: 1.2596701034901394
Energy: 1.2611068327203716
Energy: 1.4818845078011518
Energy: 1.2611068327226593
Energy: 1.4248299578452617
Energy: 1.350904801113514
Energy: 1.523249072670755
Energy: 1.350904801113514
Energy: 1.644635678921374
Energy: 1.4219188941423555
Energy: 1.4837504643956707
Energy: 1.4219188941400678

minimum gb energy = 1.2473832321201295 eV
minimum distance =  2.28873295387514 Angstroms
sigma value = 73


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

Energy: 1.7859495238920038
Energy: 1.4127262789160953
Energy: 1.416336811814073
Energy: 1.3797638802931798
Energy: 1.4607959170152016
Energy: 1.3481172313950218
Energy: 1.4276123027634364
Energy: 1.3481172313950218
Energy: 1.3618611070547912
Energy: 1.3175769807332656
Energy: 1.3614899220741006
Energy: 1.3175769807332656
Energy: 1.362232698984823
Energy: 1.3193961912546464
Energy: 1.357904542310453
Energy: 1.3193961912544607
Energy: 1.3550852768313009
Energy: 1.3290360947625537
Energy: 1.382340541722192
Energy: 1.3290360947631106
Energy: 1.412835129795205
Energy: 1.3604050378378556
Energy: 1.4606556305671885
Energy: 1.3604050378380206
Energy: 1.428555595208607
Energy: 1.4293911142625253
Energy: 1.5899308865818675
Energy: 1.4293911142619888
Energy: 1.574642679577267
Energy: 1.4287636857113533
Energy: 1.5895351133429891
Energy: 1.4287636857106314
Energy: 1.5613319716700733
Energy: 1.245724100940255
Energy: 1.4583467316249048
Energy: 1.2457241009400695
Energy: 1.4503392581257888
Energy: 1.2469594546504987
Energy: 1.2463409110669315
Energy: 1.2469594546503133
Energy: 1.560624885319818
Energy: 1.245901314779097
Energy: 1.240717960900935
Energy: 1.245901314779654
Energy: 1.5277139450875206
Energy: 1.375866519334799
Energy: 1.2722395990250304
Energy: 1.3758665193349846
Energy: 1.554760900213935
Energy: 1.2726406246315511
Energy: 1.2700370458329122
Energy: 1.2726406246319018
Energy: 1.5541363028598902
Energy: 1.271633813831375
Energy: 1.5108949781123036
Energy: 1.271633813831004
Energy: 1.5670786682680173
Energy: 1.3334326200195397
Energy: 1.5678376522575166
Energy: 1.3334326200197253
Energy: 1.5946647517673471
Energy: 1.2705001979723103
Energy: 1.6407721934816617
Energy: 1.2705001979723103
Energy: 1.272202349674767
Energy: 1.2723111752964982
Energy: 1.639177548454577
Energy: 1.2723111752966836
Energy: 1.2897757199873703
Energy: 1.3428201488661724
Energy: 1.498647356460892
Energy: 1.3428201488659868
Energy: 1.243064261578489
Energy: 1.2462461448327151
Energy: 1.5692798758102564
Energy: 1.2462461448325295
Energy: 1.2455216831491271
Energy: 1.244433408210876
Energy: 1.5637912230179745
Energy: 1.2444334082114121
Energy: 1.4606788086459928
Energy: 1.2453405518459537
Energy: 1.5655817066533824
Energy: 1.245340551845768
Energy: 1.637619846942113
Energy: 1.4398387094778868
Energy: 1.5750414590302773
Energy: 1.4398387094773504

minimum gb energy = 1.240717960900935 eV
minimum distance =  2.29603543810555 Angstroms
sigma value = 7


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

Energy: 2.4214682790099262
Energy: 1.4101359953699821
Energy: 1.4108331249964876
Energy: 1.3123184798482848
Energy: 1.5593944128402493
Energy: 1.312509132976157
Energy: 1.4364849464458225
Energy: 1.31250913297744
Energy: 1.4750755049329858
Energy: 1.2942012364348043
Energy: 1.3741713185438102
Energy: 1.2942012364360873
Energy: 1.3749807597018768
Energy: 1.294602925615143
Energy: 1.3713913515483789
Energy: 1.2946029256164264
Energy: 1.3730015057145326
Energy: 1.297687082684288
Energy: 1.377946563207686
Energy: 1.297687082684288
Energy: 1.4058851987568068
Energy: 1.3127402632410967
Energy: 1.4746234848773965
Energy: 1.3127402632410967
Energy: 1.43880732714203
Energy: 1.4402768414121458
Energy: 1.6574738614863413
Energy: 1.4402768414121458
Energy: 1.6438299535016356
Energy: 1.438775696179452
Energy: 1.6574391025742616
Energy: 1.438775696179452
Energy: 1.6108817095998929
Energy: 1.258409503269227
Energy: 1.5582440968166469
Energy: 1.258409503269227
Energy: 1.496929584078171
Energy: 1.263133164551379
Energy: 1.25920269769702
Energy: 1.263133164551379
Energy: 1.6096421831768932
Energy: 1.2586643681176195
Energy: 1.2547701901482893
Energy: 1.2586643681176195
Energy: 1.552373899721244
Energy: 1.2648639752962538
Energy: 1.2588584020094415
Energy: 1.2648639752962538
Energy: 1.611156614640483
Energy: 1.2591943516441841
Energy: 1.2594868837289257
Energy: 1.2591943516441841
Energy: 1.611294021065672
Energy: 1.2602381328709513
Energy: 1.453165930756346
Energy: 1.2602381328722347
Energy: 1.6460646468268043
Energy: 1.3115815566100746
Energy: 1.5590108467768822
Energy: 1.3115815566100746
Energy: 1.6294436907525192
Energy: 1.4591256908026586
Energy: 1.6806491217306596
Energy: 1.4591256908026586
Energy: 1.4386177569628245
Energy: 1.3130039896621704
Energy: 1.6810921027968677
Energy: 1.3130039896621704
Energy: 1.393687118765134
Energy: 1.2983455466551592
Energy: 1.4745929916431069
Energy: 1.298345546653876
Energy: 1.3758536899115998
Energy: 1.2989067874564846
Energy: 1.3774351551923942
Energy: 1.2989067874564846
Energy: 1.3769262660453152
Energy: 1.2990737871194993
Energy: 1.3775187232174
Energy: 1.2990737871207825
Energy: 1.4752222650080395
Energy: 1.2978675568298985
Energy: 1.4079431958865862
Energy: 1.2978675568298985
Energy: 1.6573799476658304
Energy: 1.4391420156462855
Energy: 1.4401687343440581
Energy: 1.4391420156462855
Energy: 1.6573949555089464
Energy: 1.439559546040162
Energy: 1.6468613438436943
Energy: 1.439559546040162
Energy: 1.5587347784886902
Energy: 1.2581684844337204
Energy: 1.6223884747023425
Energy: 1.2581684844337204
Energy: 1.4532077674384392
Energy: 1.2634101449177604
Energy: 1.4967199985565345
Energy: 1.2634101449177604
Energy: 1.2559062145078221
Energy: 1.258663192729262
Energy: 1.4944951286176447
Energy: 1.2586631927305452
Energy: 1.2595127565854263
Energy: 1.2641606577577236
Energy: 1.5480352879813366
Energy: 1.2641606577577236
Energy: 1.2562541641623637
Energy: 1.2588067112627188
Energy: 1.6109349323526436
Energy: 1.2588067112614356
Energy: 1.2591653813908301
Energy: 1.2606746615951971
Energy: 1.6105106427127847
Energy: 1.2606746615951971
Energy: 1.5592817103608594
Energy: 1.2584508594953723
Energy: 1.622707181257732
Energy: 1.2584508594953723
Energy: 1.6809547366613142
Energy: 1.3124442882987861
Energy: 1.6264746736513238
Energy: 1.3124442882987861

minimum gb energy = 1.2547701901482893 eV
minimum distance =  2.29860472884228 Angstroms
sigma value = 29


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

Energy: 1.6982127135084153
Energy: 1.3136591011693535
Energy: 1.3135336992716855
Energy: 1.1413664536311965
Energy: 1.3116097479897566
Energy: 1.2001860738728456
Energy: 1.3138207963907647
Energy: 1.2001860738728456
Energy: 1.3239620558177236
Energy: 1.1967361105924468
Energy: 1.3175081977533283
Energy: 1.196736110592869
Energy: 1.3170768389067495
Energy: 1.1934330038840641
Energy: 1.112481143487433
Energy: 1.1934330038845111
Energy: 1.3191649570584514
Energy: 1.1911670349152712
Energy: 1.355790196083256
Energy: 1.1911670349161654
Energy: 1.3108666464265613
Energy: 1.191196530091719
Energy: 1.3568311424070052
Energy: 1.191196530091297
Energy: 1.3722181333408967
Energy: 1.371039018346523
Energy: 1.3056587226067033
Energy: 1.3710390183460759
Energy: 1.3689207412241136
Energy: 1.200870506604774
Energy: 1.3775292387975788
Energy: 1.200870506604352
Energy: 1.4880580267426422
Energy: 1.2008044444951271
Energy: 1.3551486245152795
Energy: 1.2008044444951271

minimum gb energy = 1.112481143487433 eV
minimum distance =  2.36281049309529 Angstroms
sigma value = 5


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

Energy: 1.6711820730387181
Energy: 1.5807992025751305
Energy: 1.4947636589378535
Energy: 1.5282740831006523
Energy: 1.2121096388704453
Energy: 1.2193040843370706
Energy: 1.4678328816805075
Energy: 1.2193040843370706
Energy: 1.212377028296427
Energy: 1.2151094518213372
Energy: 1.4166292596502117
Energy: 1.2151094518213372
Energy: 1.2075674646733754
Energy: 1.2168585788199544
Energy: 1.448454084358019
Energy: 1.2168585788187423
Energy: 1.2090529143547797
Energy: 1.2176552079536218
Energy: 1.2894618418499277
Energy: 1.2176552079536218
Energy: 1.2347634480468193
Energy: 1.245843772726529
Energy: 1.317647655423783
Energy: 1.245843772726529
Energy: 1.233943218697398
Energy: 1.2464266166626359
Energy: 1.3983264205091106
Energy: 1.2464266166626359
Energy: 1.2384102480480708
Energy: 1.2433661271671912
Energy: 1.397466778731235
Energy: 1.2433661271671912
Energy: 1.2384744557379812
Energy: 1.2446724643673512
Energy: 1.3616748076170135
Energy: 1.2446724643661389
Energy: 1.4126876892550846
Energy: 1.4385356579220812
Energy: 1.5146454691980065
Energy: 1.438535657923293
Energy: 1.238872119775848
Energy: 1.2646569098767921
Energy: 1.4529830210312227
Energy: 1.2646569098780043
Energy: 1.5267939535543489
Energy: 1.292557268139311
Energy: 1.3826423197880162
Energy: 1.292557268139311
Energy: 1.4174004497539132
Energy: 1.3577782674610361
Energy: 1.3861004986560423
Energy: 1.3577782674610361
Energy: 1.2520929724142782
Energy: 1.2464641001556935
Energy: 1.2383685955249593
Energy: 1.2464641001544814
Energy: 1.3979389533270783
Energy: 1.2455272414232101
Energy: 1.2378311804644675
Energy: 1.2455272414244223
Energy: 1.3957031381689826
Energy: 1.2436786842204484
Energy: 1.2381414352344031
Energy: 1.2436786842204484
Energy: 1.2891693134506725
Energy: 1.2479104709896387
Energy: 1.237744525843281
Energy: 1.247910470990851
Energy: 1.4213619286736583
Energy: 1.2151975428494919
Energy: 1.207522536930352
Energy: 1.2151975428494919
Energy: 1.4204086159785585
Energy: 1.255807899196844
Energy: 1.2113924354062364
Energy: 1.255807899196844
Energy: 1.4168570070384514
Energy: 1.2163521690980765
Energy: 1.2121730447035335
Energy: 1.2163521690980765
Energy: 1.5695264787194954
Energy: 1.330159253248331
Energy: 1.320011350981256
Energy: 1.3301592532495436
Energy: 1.6774930253328149
Energy: 1.479562492412685
Energy: 1.3201537774691106
Energy: 1.4795624924138973
Energy: 1.3320066990332458
Energy: 1.2182835571340846
Energy: 1.2123006271800818
Energy: 1.2182835571340846
Energy: 1.3831344354133734
Energy: 1.2582731731908239
Energy: 1.3184573580233452
Energy: 1.2582731731908239
Energy: 1.3314167575648137
Energy: 1.2159225594368535
Energy: 1.2559104906917153
Energy: 1.2159225594368535
Energy: 1.2983686750316235
Energy: 1.2618644684090725
Energy: 1.3034147745672875
Energy: 1.2618644684090725
Energy: 1.2948126218438591
Energy: 1.261639979307755
Energy: 1.2972438950465905
Energy: 1.2616399793053306
Energy: 1.2979400145245026
Energy: 1.258138318292889
Energy: 1.2944079703415445
Energy: 1.258138318292889
Energy: 1.2273584556915667
Energy: 1.2609473826656585
Energy: 1.299895135629208
Energy: 1.2609473826656585
Energy: 1.2559143224378788
Energy: 1.256957900714282
Energy: 1.4131580730120794
Energy: 1.2569579007154943
Energy: 1.3187523564851922
Energy: 1.2576731575903308
Energy: 1.4133870620636606
Energy: 1.2576731575915432
Energy: 1.2132197381244603
Energy: 1.218706577190744
Energy: 1.4326994477289263
Energy: 1.2187065771919012
Energy: 1.2476270070753297
Energy: 1.5713214072169752
Energy: 1.6229280566399635
Energy: 1.5713214072169752

minimum gb energy = 1.207522536930352 eV
minimum distance =  2.29450895962289 Angstroms
sigma value = 1


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

Energy: 2.0311749177542797
Energy: 1.4269880861533266
Energy: 1.4295733475562282
Energy: 1.153424522655225
Energy: 1.2171213442123143
Energy: 1.1898491068197417
Energy: 1.1849334854260418
Energy: 1.1898491068197417
Energy: 1.1880364366517742
Energy: 1.188157161584912
Energy: 1.2416969832471607
Energy: 1.188157161584912
Energy: 1.1861452047512013
Energy: 1.1925376951059588
Energy: 1.2096960194827375
Energy: 1.1925376951059588
Energy: 1.1855416168454613
Energy: 1.229970913701454
Energy: 1.2414440289695523
Energy: 1.229970913701454
Energy: 1.1847160542079118
Energy: 1.1944551156613508
Energy: 1.2415543988616213
Energy: 1.1944551156613508
Energy: 1.1840897756963233
Energy: 1.194382286737443
Energy: 1.2391904197223853
Energy: 1.194382286737443
Energy: 1.1909381204416696
Energy: 1.1884102234654914
Energy: 1.2394190868269783
Energy: 1.1884102234654914
Energy: 1.1901784270567635
Energy: 1.2380824140014988
Energy: 1.1837241090834971
Energy: 1.2380824140014988
Energy: 1.231452210870071
Energy: 1.4380110166997757
Energy: 1.435361851273939
Energy: 1.4380110166997757
Energy: 1.1900748678858974
Energy: 1.2369261894357295
Energy: 1.190097547898667
Energy: 1.2369261894357295
Energy: 1.1900647908620934
Energy: 1.1892265972642635
Energy: 1.2094140786023129
Energy: 1.1892265972642635
Energy: 1.1804385301224132
Energy: 1.1916335737814931
Energy: 1.2093647821548457
Energy: 1.1916335737814931
Energy: 1.1848648133284534
Energy: 1.2356559982269952
Energy: 1.2167802283736084
Energy: 1.2356559982269952
Energy: 1.20971053878019
Energy: 1.1907183237429753
Energy: 1.1904208508345673
Energy: 1.1907183237429753
Energy: 1.2098179266342897
Energy: 1.187878294793386
Energy: 1.188867786018469
Energy: 1.1878782947950621
Energy: 1.2395292440429464
Energy: 1.1977952073784133
Energy: 1.2120563275527214
Energy: 1.1977952073784133
Energy: 1.2412417135208067
Energy: 1.1883084802308292
Energy: 1.1895651654573622
Energy: 1.1883084802308292
Energy: 1.2417035996303925
Energy: 1.1960211210332528
Energy: 1.1887206565042026
Energy: 1.1960211210332528
Energy: 1.2393701631701024
Energy: 1.1918490627353364
Energy: 1.1900398544711281
Energy: 1.1918490627370124
Energy: 1.422006155068383
Energy: 1.1898525610169608
Energy: 1.2311098519767634
Energy: 1.1898525610169608
Energy: 1.4395851115436966
Energy: 1.4242502430867487
Energy: 1.231015080897929
Energy: 1.4242502430867487
Energy: 1.2164422611171921
Energy: 1.2352551147056958
Energy: 1.1902111766917285
Energy: 1.2352551147056958
Energy: 1.2096906280789683
Energy: 1.191350648786835
Energy: 1.1909396334552114
Energy: 1.191350648786835

minimum gb energy = 1.153424522655225 eV
minimum distance =  2.29501328219079 Angstroms
sigma value = 17


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

Energy: 1.590989024061468
Energy: 1.6342217195165865
Energy: 1.7292789940415407
Energy: 1.5283602880901634
Energy: 1.1889668732479355
Energy: 1.2193031429625742
Energy: 1.213145932740446
Energy: 1.2193031429625742
Energy: 1.1883268340910678
Energy: 1.1905450228493026
Energy: 1.4220171192923037
Energy: 1.1905450228503385
Energy: 1.1883096672209141
Energy: 1.1927113521505068
Energy: 1.4329784179548302
Energy: 1.192711352149471
Energy: 1.189818349391599
Energy: 1.1939854904829397
Energy: 1.3305202059983752
Energy: 1.1939854904839757
Energy: 1.2569634471777467
Energy: 1.2193199435564954
Energy: 1.2684470296411765
Energy: 1.2193199435564954
Energy: 1.2575385713152987
Energy: 1.2202193807141162
Energy: 1.2563484457326022
Energy: 1.220219380717224
Energy: 1.272770589640812
Energy: 1.2205656162112641
Energy: 1.2545724096378772
Energy: 1.220565616213336
Energy: 1.3291519712059787
Energy: 1.1910620136747458
Energy: 1.1868652915413698
Energy: 1.1910620136747458
Energy: 1.3971491452904148
Energy: 1.1947236217843062
Energy: 1.1915272237183046
Energy: 1.1947236217843062
Energy: 1.2128406930392508
Energy: 1.192341608369905
Energy: 1.1885634750410077
Energy: 1.1923416083688692
Energy: 1.5000795993923488
Energy: 1.216452209886553
Energy: 1.2130699079177087
Energy: 1.216452209886553
Energy: 1.517202683686698
Energy: 1.4442850111904713
Energy: 1.2125055620177958
Energy: 1.4442850111904713
Energy: 1.215715184195232
Energy: 1.1973364902663202
Energy: 1.1887499981684964
Energy: 1.1973364902663202
Energy: 1.4219591449287632
Energy: 1.1909666410259336
Energy: 1.2969327260476056
Energy: 1.1909666410269697
Energy: 1.2242735227282762
Energy: 1.1903277930103358
Energy: 1.262478209270876
Energy: 1.1903277930113716
Energy: 1.2153705016878593
Energy: 1.2190133192759518
Energy: 1.3238287929365766
Energy: 1.2190133192769876
Energy: 1.214652622416604
Energy: 1.221591097878919
Energy: 1.3255778712449209
Energy: 1.2215910978778832
Energy: 1.2203026246351998
Energy: 1.2148788394918533
Energy: 1.3259234372807338
Energy: 1.2148788394918533
Energy: 1.241798091793567
Energy: 1.2602953892418565
Energy: 1.3473044459938237
Energy: 1.2602953892418565
Energy: 1.2014805093156593
Energy: 1.2038987252688118
Energy: 1.399016626152593
Energy: 1.20389872526674
Energy: 1.202415801363142
Energy: 1.2050575843137903
Energy: 1.400637042946569
Energy: 1.2050575843148261
Energy: 1.198248458755887
Energy: 1.2085514863930618
Energy: 1.19064433917746
Energy: 1.2085514863930618
Energy: 1.3262573588471849
Energy: 1.4316632211311406
Energy: 1.4333947689957407
Energy: 1.431663221132177
Energy: 1.2140166163133352
Energy: 1.2039791633190653
Energy: 1.3129658861399673
Energy: 1.2039791633190653
Energy: 1.1975927376022795
Energy: 1.2055232809995218
Energy: 1.1993062404694252
Energy: 1.2055232810005105
Energy: 1.492020666754535
Energy: 1.4466191590502677
Energy: 1.2222155565883017
Energy: 1.4466191590502677
Energy: 1.1981936287018946
Energy: 1.2044509047751808
Energy: 1.2052191375121546
Energy: 1.2044509047762166
Energy: 1.402968302621677
Energy: 1.2041114252440095
Energy: 1.1983228504307468
Energy: 1.2041114252440095
Energy: 1.3636033057363035
Energy: 1.206929972849673
Energy: 1.1963266734612368
Energy: 1.206929972850709
Energy: 1.3979107949852667
Energy: 1.206529325516856
Energy: 1.19672953982287
Energy: 1.2065293255189282
Energy: 1.343883573592977
Energy: 1.2217375823566945
Energy: 1.2155359080073707
Energy: 1.2217375823546226
Energy: 1.3270450453605633
Energy: 1.217826994832756
Energy: 1.2170332235782928
Energy: 1.217826994832756
Energy: 1.3405265534228359
Energy: 1.2161385080543645
Energy: 1.216248383683169
Energy: 1.2161385080522928
Energy: 1.1862133629741645
Energy: 1.19155423712688
Energy: 1.2165113836332548
Energy: 1.191554237125844
Energy: 1.2636666631692142
Energy: 1.2971051676502858
Energy: 1.3273105942446735
Energy: 1.2971051676513217
Energy: 1.1883119555237145
Energy: 1.1917348365985374
Energy: 1.2159542389934537
Energy: 1.1917348365985374
Energy: 1.204048083789814
Energy: 1.2164356649572017
Energy: 1.4377534028605832
Energy: 1.2164356649561656

minimum gb energy = 1.1862133629741645 eV
minimum distance =  2.28673277399132 Angstroms
sigma value = 89


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

Energy: 2.1970244013353772
Energy: 1.4059389388792105
Energy: 1.475690335552365
Energy: 1.140098022377607
Energy: 1.2015645486459356
Energy: 1.147398190439617
Energy: 1.1332372655810852
Energy: 1.147398190439617
Energy: 1.1383334244907137
Energy: 1.1445458807025661
Energy: 1.2640154887205364
Energy: 1.1445458807025661
Energy: 1.1308047682791291
Energy: 1.1454415189437983
Energy: 1.263155318375504
Energy: 1.1454415189435212
Energy: 1.1350119793416238
Energy: 1.1480768843740548
Energy: 1.2291476992934423
Energy: 1.1480768843726994
Energy: 1.2025116168135455
Energy: 1.1458007976848748
Energy: 1.1985084494579898
Energy: 1.1458007976845976
Energy: 1.202848763242282
Energy: 1.1453740350256298
Energy: 1.203627528580698
Energy: 1.1453740350248292
Energy: 1.2283141111179998
Energy: 1.1465653471661796
Energy: 1.197999296332646
Energy: 1.1465653471661796
Energy: 1.2141247335688325
Energy: 1.1460361495384517
Energy: 1.1324795184323826
Energy: 1.1460361495384517
Energy: 1.2143480718416395
Energy: 1.1541594001137203
Energy: 1.1359870088896031
Energy: 1.1541594001134432
Energy: 1.2134514028796042
Energy: 1.14465050068033
Energy: 1.1391027977634138
Energy: 1.1446505006808538
Energy: 1.13366761852491
Energy: 1.1442962349775871
Energy: 1.2087380774429757
Energy: 1.1442962349778643
Energy: 1.4183311241013103
Energy: 1.133162484750086
Energy: 1.2088783531257983
Energy: 1.133162484750086
Energy: 1.1384521997902457
Energy: 1.2405038599610478
Energy: 1.1386877777758388
Energy: 1.2405038599610478
Energy: 1.1253735111521157
Energy: 1.1459506012327447
Energy: 1.1375487728159295
Energy: 1.1459506012327447

minimum gb energy = 1.1253735111521157 eV
minimum distance =  2.30055166821021 Angstroms
sigma value = 13


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

Energy: 1.3371560590267448
Energy: 1.3775995568950872
Energy: 1.4101836925900382
Energy: 1.1203827608993353
Energy: 1.115264885074008
Energy: 1.1165649252534247
Energy: 1.1131736480662742
Energy: 1.1165649252534247
Energy: 1.1146449379426655
Energy: 1.1143512257921406
Energy: 1.2918929801670351
Energy: 1.1143512257932766
Energy: 1.1127272734590612
Energy: 1.11382061736272
Energy: 1.2929847829131278
Energy: 1.1138206173615839
Energy: 1.1998656785071629
Energy: 1.1168220926437396
Energy: 1.186852140206549
Energy: 1.1168220926437396
Energy: 1.236367007809414
Energy: 1.098661940011953
Energy: 1.1342682046051107
Energy: 1.098661940011953
Energy: 1.229118630123227
Energy: 1.0980248539562854
Energy: 1.1495283805160383
Energy: 1.0980248539574216
Energy: 1.2576402257276231
Energy: 1.0994322076539331
Energy: 1.1339722328902306
Energy: 1.0994322076539331
Energy: 1.2155060744952841
Energy: 1.0999879650350495
Energy: 1.1377627036560047
Energy: 1.0999879650350495
Energy: 1.229528168327912
Energy: 1.0999756745492726
Energy: 1.1332362220247931
Energy: 1.0999756745492726
Energy: 1.227779723883724
Energy: 1.103469226057683
Energy: 1.186091221805516
Energy: 1.103469226057683
Energy: 1.1125184699918877
Energy: 1.1132301419196515
Energy: 1.2098552692615039
Energy: 1.1132301419196515
Energy: 1.1194142541885195
Energy: 1.1132228099513883
Energy: 1.209715196223362
Energy: 1.1132228099525245
Energy: 1.1149445483402858
Energy: 1.1190884661801221
Energy: 1.2119805858964303
Energy: 1.1190884661801221
Energy: 1.2069735593307551
Energy: 1.1140727995683322
Energy: 1.3739074806776894
Energy: 1.1140727995683322
Energy: 1.2073658679236057
Energy: 1.113637404498174
Energy: 1.115887578580886
Energy: 1.113637404498174
Energy: 1.1145639242934173
Energy: 1.120411241726235
Energy: 1.1150119410433077
Energy: 1.120411241726235
Energy: 1.1154682814319967
Energy: 1.1190226999359814
Energy: 1.2900677930996975
Energy: 1.1190226999359814
Energy: 1.1169583098154663
Energy: 1.1145896087836356
Energy: 1.104065805323894
Energy: 1.1145896087836356
Energy: 1.210748134411124
Energy: 1.116308388487291
Energy: 1.1143338025671248
Energy: 1.1163083884884273
Energy: 1.3384052257767094
Energy: 1.1156463918538129
Energy: 1.1126460733099548
Energy: 1.1156463918538129
Energy: 1.185748252335694
Energy: 1.1169595579123979
Energy: 1.1147650698789089
Energy: 1.1169595579123979
Energy: 1.1373086079973151
Energy: 1.100145606565725
Energy: 1.2315501107011095
Energy: 1.100145606565725
Energy: 1.1409439574690772
Energy: 1.0988116683145157
Energy: 1.1597747340692117
Energy: 1.0988116683145157
Energy: 1.1329449487977892
Energy: 1.106378805285516
Energy: 1.2155906091694424
Energy: 1.10637880528438
Energy: 1.1342822507338408
Energy: 1.1027641509880515
Energy: 1.2155239746325976
Energy: 1.1027641509880515
Energy: 1.1365332337574776
Energy: 1.1007071765881988
Energy: 1.2297317050635443
Energy: 1.1007071765870629
Energy: 1.188826775052668
Energy: 1.1017484196843066
Energy: 1.228413241418206
Energy: 1.1017484196843066
Energy: 1.1857015271415623
Energy: 1.1146859296758658
Energy: 1.1126743549835887
Energy: 1.1146859296758658
Energy: 1.2262398092441409
Energy: 1.1152234856316106
Energy: 1.1147827219455255
Energy: 1.1152234856316106
Energy: 1.2110332973437652
Energy: 1.1194625776685987
Energy: 1.1144535509868851
Energy: 1.1194625776685987
Energy: 1.1134666905986497
Energy: 1.1135829405260114
Energy: 1.2069523532342588
Energy: 1.1135829405248752
Energy: 1.3831867340381474
Energy: 1.1140619714549027
Energy: 1.2077774153904943
Energy: 1.1140619714537667
Energy: 1.1149648964041377
Energy: 1.1192899015500484
Energy: 1.114931612938924
Energy: 1.1192899015500484
Energy: 1.1042964398393578
Energy: 1.1139971557376234
Energy: 1.1203702003754559
Energy: 1.1139971557364872

minimum gb energy = 1.0980248539562854 eV
minimum distance =  2.3122173858331 Angstroms
sigma value = 37


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

Energy: 1.3186140370411055
Energy: 1.3126134976866728
Energy: 1.3382484153011012
Energy: 1.0765034336524857
Energy: 1.0715170536741623
Energy: 1.0659199198599705
Energy: 1.069308260208532
Energy: 1.0659199198599705
Energy: 1.0707498761929644
Energy: 1.0694300439263233
Energy: 1.2181297175894708
Energy: 1.0694300439263233
Energy: 1.0694099728249686
Energy: 1.0671117167227422
Energy: 1.2506896411222255
Energy: 1.0671117167229418
Energy: 1.122506451854869
Energy: 1.081148837624666
Energy: 1.1276253284692945
Energy: 1.081148837624666
Energy: 1.1941547643371433
Energy: 1.0360321468829772
Energy: 1.0693795989219734
Energy: 1.0360321468827773
Energy: 1.1314815441755077
Energy: 1.034689046724311
Energy: 1.0691656627940354
Energy: 1.0346890467229342
Energy: 1.1728686222410845
Energy: 1.0243533177536763
Energy: 1.0693934435322423
Energy: 1.0243533177540765
Energy: 1.104456848342039
Energy: 1.02148907456481
Energy: 1.104286531428516
Energy: 1.02148907456501
Energy: 1.1042626440587135
Energy: 1.0209044434639178
Energy: 1.1045221726655212
Energy: 1.0209044434635182
Energy: 1.1135194907545636
Energy: 1.1058776023507932
Energy: 1.1733457944232752
Energy: 1.1058776023505934
Energy: 1.0694650026694221
Energy: 1.0356754556804577
Energy: 1.1934755725107293
Energy: 1.0356754556808576
Energy: 1.0683973185839564
Energy: 1.0357753988084677
Energy: 1.165773541965655
Energy: 1.0357753988086453
Energy: 1.1275599059285948
Energy: 1.0369642502910124
Energy: 1.1231966323739826
Energy: 1.0369642502904126
Energy: 1.189499161942121
Energy: 1.0663178844467838
Energy: 1.0706631538597466
Energy: 1.0663178844467838
Energy: 1.0686932355758965
Energy: 1.0672085397172548
Energy: 1.0707398752724235
Energy: 1.0672085397170548
Energy: 1.0689623912832897
Energy: 1.0800031920172772
Energy: 1.071578839388882
Energy: 1.0800031920170774
Energy: 1.3122716619618673
Energy: 1.3121451673895876
Energy: 1.1631565065210603
Energy: 1.3121451673897875
Energy: 1.0707648689060631
Energy: 1.0689711735174727
Energy: 1.1630037176712618
Energy: 1.0689711735176504
Energy: 1.0713903467652908
Energy: 1.0659165695681556
Energy: 1.0708255831114448
Energy: 1.0659165695681556

minimum gb energy = 1.0209044434635182 eV
minimum distance =  2.30810399968616 Angstroms
sigma value = 25


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

Energy: 1.2702569958919672
Energy: 1.2066553617714681
Energy: 1.2083270761274572
Energy: 1.000493115052697
Energy: 0.9991100224971251
Energy: 0.9968338933657065
Energy: 0.9985385942188313
Energy: 0.9968338933641802
Energy: 0.9988682689909019
Energy: 0.9956415538275362
Energy: 1.005608046390067
Energy: 0.9956415538275362
Energy: 0.9984963666450702
Energy: 0.9908841022486264
Energy: 1.1002159912575542
Energy: 0.9908841022486264
Energy: 1.002055833713672
Energy: 0.9619838843385269
Energy: 1.0008952281680306
Energy: 0.9619838843385269
Energy: 1.1024254839141858
Energy: 0.9609531443547338
Energy: 1.0006752030635024
Energy: 0.9609531443562601
Energy: 1.1022684714541815
Energy: 0.9592949047697673
Energy: 1.0045374088531727
Energy: 0.9592949047697673
Energy: 1.0424730529582595
Energy: 0.9562378075907454
Energy: 1.0593583194067984
Energy: 0.9562378075907454
Energy: 1.010629422680359
Energy: 0.9322402298055938
Energy: 1.0763925336330824
Energy: 0.9322402298055938
Energy: 1.0120129887607785
Energy: 0.9324192370457118
Energy: 1.063247773650798
Energy: 0.9324192370441857
Energy: 1.003508328373624
Energy: 1.0089891311782855
Energy: 1.0703045311285275
Energy: 1.0089891311782855
Energy: 1.0324030361156564
Energy: 0.922695513507915
Energy: 1.032755305777802
Energy: 0.922695513507915
Energy: 1.0454510451962595
Energy: 0.9233269297774442
Energy: 1.032531858473111
Energy: 0.9233269297774442
Energy: 1.0721532055579437
Energy: 0.9349644625082054
Energy: 1.0143411745817947
Energy: 0.9349644625097315
Energy: 1.0762686520475548
Energy: 0.932688846492699
Energy: 1.0118964280338363
Energy: 0.9326888464942251
Energy: 1.076405600328876
Energy: 0.9331353106352905
Energy: 1.0114915906623818
Energy: 0.9331353106352905
Energy: 1.0009725936422535
Energy: 0.9613933793808191
Energy: 1.042141744919611
Energy: 0.9613933793808191
Energy: 1.0037055978010938
Energy: 0.959677791291446
Energy: 1.0565396588391598
Energy: 0.959677791291446
Energy: 1.000753910442352
Energy: 0.9630309654281267
Energy: 1.0618198079562118
Energy: 0.9630309654281267
Energy: 1.0013151381430054
Energy: 0.9963415229614099
Energy: 0.998682618127009
Energy: 0.9963415229614099
Energy: 0.9979725165291333
Energy: 0.9926870359907368
Energy: 0.999341484782343
Energy: 0.9926870359907368
Energy: 1.0007779982798892
Energy: 0.9949298489698796
Energy: 0.9986440725594392
Energy: 0.9949298489683535
Energy: 1.0008467668520658
Energy: 0.994943779011261
Energy: 0.9970922873301502
Energy: 0.994943779011261
Energy: 1.002506674800586
Energy: 0.994750210286509
Energy: 0.9939417846062247
Energy: 0.994750210286509
Energy: 0.9989741431910246
Energy: 0.9968817669536522
Energy: 0.9988765747109618
Energy: 0.9968817669536522
Energy: 1.0022752357737645
Energy: 0.9919265193524938
Energy: 0.9986996716744261
Energy: 0.9919265193524938

minimum gb energy = 0.922695513507915 eV
minimum distance =  2.31713448367732 Angstroms
sigma value = 41


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

Energy: 1.2094326499167272
Energy: 1.1026024837382549
Energy: 1.1046635901080148
Energy: 0.9330124341887993
Energy: 0.9318750831097856
Energy: 0.9005200091083146
Energy: 0.9354304492615461
Energy: 0.9005200091083146
Energy: 0.932353110427757
Energy: 0.9264496314088708
Energy: 0.9395834054847483
Energy: 0.9264496314076196
Energy: 0.9334523545371881
Energy: 0.9240736791768288
Energy: 0.9250846300843004
Energy: 0.9240736791780801
Energy: 0.9360623406281577
Energy: 0.9113559899807294
Energy: 0.9381062389492901
Energy: 0.9113559899807294
Energy: 0.9299423583797656
Energy: 0.8980732773235979
Energy: 0.9358536795973903
Energy: 0.8980732773223464
Energy: 1.0558079287658775
Energy: 0.8961839356774016
Energy: 0.9373236113794272
Energy: 0.8961839356786531
Energy: 0.971148662659561
Energy: 0.9625147171289213
Energy: 1.0124449956582589
Energy: 0.9625147171301727
Energy: 0.9463271756036135
Energy: 0.8682391886839829
Energy: 0.964436477726886
Energy: 0.8682391886839829
Energy: 0.9480948368627286
Energy: 0.8685744763346428
Energy: 0.9604383078104901
Energy: 0.8685744763358942
Energy: 0.9512496814848397
Energy: 0.8520285531606453
Energy: 0.9979951621299127
Energy: 0.8520285531606453
Energy: 0.9483461725571914
Energy: 0.8513800429977195
Energy: 0.9578544539212444
Energy: 0.8513800429977195
Energy: 0.9640885299047262
Energy: 0.8513968419373614
Energy: 0.959280596395211
Energy: 0.8513968419373614
Energy: 0.9897064677849847
Energy: 0.8451919831070016
Energy: 0.9324467485452608
Energy: 0.8451919831057503
Energy: 0.9297009359901798
Energy: 0.8442136096570898
Energy: 0.9298475968392199
Energy: 0.8442136096570898
Energy: 0.9749608486971731
Energy: 0.8454988153692552
Energy: 0.9791487520696801
Energy: 0.8454988153705065
Energy: 0.9469771422326317
Energy: 0.8509373094182868
Energy: 0.989776729869105
Energy: 0.8509373094182868
Energy: 0.9546926299269445
Energy: 0.850922934728413
Energy: 0.9481867892960003
Energy: 0.8509229347271617
Energy: 0.9719748465470907
Energy: 0.8504767964101815
Energy: 0.9481678820762245
Energy: 0.8504767964101815
Energy: 0.9941091765324048
Energy: 0.8686808242791823
Energy: 0.946751083190203
Energy: 0.8686808242791823
Energy: 1.0110999224967596
Energy: 0.8698429510159398
Energy: 0.9481441099956653
Energy: 0.8698429510159398
Energy: 1.0100383168936067
Energy: 0.8693628243495605
Energy: 0.9715501457391684
Energy: 0.8693628243508118
Energy: 0.937321141740771
Energy: 0.8969909335742589
Energy: 0.9462224636030786
Energy: 0.8969909335730075
Energy: 0.9361003646876734
Energy: 0.8963791390724071
Energy: 1.0086130672934261
Energy: 0.8963791390736583
Energy: 0.935870923453974
Energy: 0.899460801555264
Energy: 1.0076108019257433
Energy: 0.899460801555264
Energy: 0.9466843800955143
Energy: 0.9258258478121555
Energy: 0.9338767966427131
Energy: 0.9258258478109042
Energy: 0.9344647240918169
Energy: 0.924377015930072
Energy: 0.9323513658364377
Energy: 0.924377015930072
Energy: 0.9362637675742754
Energy: 0.9577719056740457
Energy: 0.9321737914473062
Energy: 0.957771905675297
Energy: 0.9355078962366297
Energy: 0.9244012998732878
Energy: 0.9350714599480469
Energy: 0.9244012998732878
Energy: 0.9319692683876493
Energy: 0.9253260246108795
Energy: 0.9347338884705222
Energy: 0.9253260246108795
Energy: 0.9319454696821473
Energy: 0.9317313449450655
Energy: 0.9324735533595547
Energy: 0.9317313449438143
Energy: 0.9435149163932348
Energy: 0.9246342625630113
Energy: 0.9359022643990608
Energy: 0.9246342625642625

minimum gb energy = 0.8442136096570898 eV
minimum distance =  2.32429010210679 Angstroms
sigma value = 15


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

Energy: 1.0771915695067449
Energy: 1.0189806348206845
Energy: 1.0201967445006854
Energy: 0.8750432354004566
Energy: 0.8742657290410627
Energy: 0.8450777658841022
Energy: 0.8777511725401458
Energy: 0.8450777658862223
Energy: 0.8742188306460948
Energy: 0.8688189690389413
Energy: 0.883461960207884
Energy: 0.8688189690410614
Energy: 0.8755482593236825
Energy: 0.8678232307738972
Energy: 0.8691655568426359
Energy: 0.8678232307738972
Energy: 0.8787499430302783
Energy: 0.8848861534692104
Energy: 0.8777600062874028
Energy: 0.8848861534692104
Energy: 0.8821696227889231
Energy: 0.8438105726751596
Energy: 0.885342822431395
Energy: 0.8438105726740996
Energy: 0.9043762382849035
Energy: 0.8438489392717546
Energy: 0.8787566961387066
Energy: 0.8438489392706947
Energy: 0.8883062144541607
Energy: 0.9098849212395758
Energy: 0.8882282218748346
Energy: 0.9098849212385157
Energy: 0.8890579315448623
Energy: 0.8171390699878973
Energy: 0.9060837247148443
Energy: 0.8171390699868373
Energy: 0.8878745736239533
Energy: 0.816529967955563
Energy: 0.9168761289011356
Energy: 0.8165299679566229
Energy: 0.9067601523767493
Energy: 0.7975443701882905
Energy: 0.9094663802322366
Energy: 0.7975443701904106
Energy: 0.8888361234498133
Energy: 0.7976703589101708
Energy: 0.8963950154972398
Energy: 0.7976703589080507
Energy: 0.9246712179478291
Energy: 0.7981667220129682
Energy: 0.8964598581984713
Energy: 0.7981667220119082
Energy: 0.9264440570548839
Energy: 0.7857282085897493
Energy: 0.8900369780078488
Energy: 0.7857282085876292
Energy: 0.9130548546154978
Energy: 0.7870341249904826
Energy: 0.8831752734853727
Energy: 0.7870341249904826
Energy: 0.9058904057622859
Energy: 0.7871718451299623
Energy: 0.925311523607526
Energy: 0.7871718451289023
Energy: 0.8810519672381087
Energy: 0.7833783345702496
Energy: 0.9275767608684451
Energy: 0.7833783345691896
Energy: 0.8757899048874527
Energy: 0.7821828845592909
Energy: 0.875447578532387
Energy: 0.7821828845582309
Energy: 0.9277659877313464
Energy: 0.7831840868637963
Energy: 0.8827406028193607
Energy: 0.7831840868616763
Energy: 0.925405993532908
Energy: 0.7872574738306554
Energy: 0.8967902462463632
Energy: 0.7872574738306554
Energy: 0.8838667704503422
Energy: 0.7872068064182528
Energy: 0.9143245833898317
Energy: 0.7872068064193127
Energy: 0.8919865149633848
Energy: 0.7857994820473884
Energy: 0.9257065620891343
Energy: 0.7857994820473884
Energy: 0.8956544949000967
Energy: 0.7982827108690551
Energy: 0.9247457395371279
Energy: 0.7982827108690551
Energy: 0.8972392674626282
Energy: 0.7975203033704718
Energy: 0.8989503713495516
Energy: 0.7975203033694118
Energy: 0.9333761968608737
Energy: 0.797632831605514
Energy: 0.8876495476864187
Energy: 0.7976328316044541
Energy: 0.9086634386971199
Energy: 0.8160141195223949
Energy: 0.8876304389590816
Energy: 0.8160141195223949
Energy: 0.8973296158552361
Energy: 0.816678687241563
Energy: 0.888266266397043
Energy: 0.8166786872394429
Energy: 0.9630368896543636
Energy: 0.8176185988665566
Energy: 0.8878977889996935
Energy: 0.8176185988676166
Energy: 0.8784349780677319
Energy: 0.8442217494785282
Energy: 0.8894020601753965
Energy: 0.8442217494785282
Energy: 0.8840156126549238
Energy: 0.8436892961301791
Energy: 0.8902437495966307
Energy: 0.843689296128059
Energy: 0.8779603267098468
Energy: 0.884047092894748
Energy: 0.8882057401391683
Energy: 0.884047092894748
Energy: 0.8878206470465038
Energy: 0.8677396438650526
Energy: 0.8753205272013961
Energy: 0.8677396438650526
Energy: 0.8765718630309697
Energy: 0.8684416919849118
Energy: 0.8745139915393989
Energy: 0.8684416919859719
Energy: 0.8778828742793101
Energy: 0.8449776383494834
Energy: 0.8745307656859614
Energy: 0.8449776383505433
Energy: 0.875100857004729
Energy: 1.0156184928059968
Energy: 0.8752022871971231
Energy: 1.0156184928049368
Energy: 0.8741227492574198
Energy: 0.8701798697870518
Energy: 0.8767165669006954
Energy: 0.8701798697859918
Energy: 0.8815722480052883
Energy: 0.8693108348859093
Energy: 0.8744922109594799
Energy: 0.8693108348859093

minimum gb energy = 0.7821828845582309 eV
minimum distance =  2.32586139950663 Angstroms
sigma value = 85


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

Energy: 0.8775351769058023
Energy: 0.8857885771494243
Energy: 0.8917425461053514
Energy: 0.7512452361107644
Energy: 0.8220296000923729
Energy: 0.7446519789599912
Energy: 0.7793093862731771
Energy: 0.7446519789599912
Energy: 0.7687505457926919
Energy: 0.7632161175097854
Energy: 0.7705355365163077
Energy: 0.7632161175088661
Energy: 0.7697197292109365
Energy: 0.760764133853143
Energy: 0.7952344314491978
Energy: 0.7607641338522234
Energy: 0.8111514392250915
Energy: 0.7872145337001973
Energy: 0.7792399610976557
Energy: 0.7872145337001973
Energy: 0.8164053447157862
Energy: 0.7453865479128859
Energy: 0.7792217607609303
Energy: 0.7453865479119665
Energy: 0.7673046088084398
Energy: 0.7445867076612196
Energy: 0.7798560462807437
Energy: 0.7445867076612196
Energy: 0.8105982040120862
Energy: 0.8326476499920376
Energy: 0.8092361034894366
Energy: 0.8326476499920376
Energy: 0.7957037034669243
Energy: 0.7287732314531893
Energy: 0.7793221580905124
Energy: 0.7287732314541087
Energy: 0.7956383405747156
Energy: 0.7287891456992074
Energy: 0.8074227825253185
Energy: 0.7287891456992074
Energy: 0.8031081010504236
Energy: 0.7197160934282797
Energy: 0.8326837897027198
Energy: 0.7197160934273601
Energy: 0.8070816489265155
Energy: 0.7183325767508343
Energy: 0.8117172557979287
Energy: 0.7183325767517538
Energy: 0.8373602729455087
Energy: 0.718968426039407
Energy: 0.8119384609609221
Energy: 0.7189684260403266
Energy: 0.8388434409609773
Energy: 0.7160201982352784
Energy: 0.8125097231080218
Energy: 0.7160201982352784
Energy: 0.8283119696990768
Energy: 0.7138669444437946
Energy: 0.8087027430675612
Energy: 0.7138669444437946
Energy: 0.81484309090068
Energy: 0.714885522924193
Energy: 0.8447807389152184
Energy: 0.714885522924193
Energy: 0.8129461829010926
Energy: 0.7135760374024082
Energy: 0.8452441190738947
Energy: 0.7135760374024082
Energy: 0.8127632787805055
Energy: 0.7131061760164435
Energy: 0.843461292988641
Energy: 0.7131061760155242
Energy: 0.8507759678665304
Energy: 0.7136829334336996
Energy: 0.8132736711764622
Energy: 0.7136829334336996
Energy: 0.8507037758628212
Energy: 0.7125926086091627
Energy: 0.8128611385690957
Energy: 0.7125926086091627
Energy: 0.8137608054545148
Energy: 0.7126800578405694
Energy: 0.81319825710479
Energy: 0.7126800578405694
Energy: 0.813013839173276
Energy: 0.7135959905284127
Energy: 0.8516392745433625
Energy: 0.7135959905284127
Energy: 0.8435840904730098
Energy: 0.7126706019450649
Energy: 0.8507248064824146
Energy: 0.7126706019450649
Energy: 0.8434290966092509
Energy: 0.7122083016766424
Energy: 0.8125928937054925
Energy: 0.7122083016766424
Energy: 0.8462415174784741
Energy: 0.7146344697444835
Energy: 0.8126745535861936
Energy: 0.7146344697435643
Energy: 0.8449124100981487
Energy: 0.7142452555934579
Energy: 0.8284501857982909
Energy: 0.7142452555934579
Energy: 0.8125293817776408
Energy: 0.7140162500212092
Energy: 0.8286525563065559
Energy: 0.7140162500212092
Energy: 0.8122809657625817
Energy: 0.7149998850665132
Energy: 0.8375142972520573
Energy: 0.7149998850674325
Energy: 0.8121554958169462
Energy: 0.7186749345655431
Energy: 0.8028161867263672
Energy: 0.7186749345655431
Energy: 0.8131130866665908
Energy: 0.719105256743263
Energy: 0.7957169110909057
Energy: 0.719105256743263
Energy: 0.8325829326227817
Energy: 0.7632681652910205
Energy: 0.802714819336614
Energy: 0.7632681652910205
Energy: 0.7915062228966998
Energy: 0.7279311865667164
Energy: 0.7957122555637284
Energy: 0.7279311865667164
Energy: 0.7795591675306571
Energy: 0.7290492489888488
Energy: 0.7956624130022707
Energy: 0.7290492489888488
Energy: 0.7795698787766716
Energy: 0.7568734529144365
Energy: 0.8101204240615888
Energy: 0.7568734529144365
Energy: 0.7800255296284296
Energy: 0.7445289405711373
Energy: 0.7991989119236628
Energy: 0.7445289405702179
Energy: 0.7791825766121834
Energy: 0.7459545958399778
Energy: 0.8096991590808685
Energy: 0.7459545958399778
Energy: 0.7834331500406004
Energy: 0.7465389878416
Energy: 0.8100364882438451
Energy: 0.7465389878416
Energy: 0.7505887613662136
Energy: 0.7613867114703285
Energy: 0.7711322020428562
Energy: 0.7613867114703285
Energy: 0.7793239178173144
Energy: 0.7617539312900856
Energy: 0.7689179488918755
Energy: 0.761753931291005
Energy: 0.7793460938320699
Energy: 0.7471364224951401
Energy: 0.7771573848307772
Energy: 0.7471364224951401
Energy: 0.768698057504546
Energy: 0.7611515638983536
Energy: 0.7697356672070732
Energy: 0.7611515638983536
Energy: 0.768859808288489
Energy: 0.7464372127098016
Energy: 0.768804612995094
Energy: 0.7464372127088822
Energy: 0.7671414777941266
Energy: 0.762453114830643
Energy: 0.7688871165629988
Energy: 0.762453114830643

minimum gb energy = 0.7122083016766424 eV
minimum distance =  2.31351917799502 Angstroms
sigma value = 113


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

Energy: 0.014917206584504277
Energy: 0.10948858453395878
Energy: 0.9470745949266429
Energy: 0.015090625210488751
Energy: 0.09812287079307142
Energy: 0.10944785248028954
Energy: 0.09591625553105905
Energy: 0.10944785248028954
Energy: 0.09550724990681293
Energy: 0.11004022054315725
Energy: 0.015591799058642039
Energy: 0.11004022054315725
Energy: 0.0955477361558576
Energy: 0.11042876776555173
Energy: 0.016545268938463357
Energy: 0.11042876776484495
Energy: 0.0969235768090386
Energy: 0.10939131582758495
Energy: 0.09618686214587195
Energy: 0.10939131582758495
Energy: 0.015543814547625368
Energy: 0.10969217849791985
Energy: 0.09524434683671756
Energy: 0.10969217849721308

minimum gb energy = 0.014917206584504277 eV
minimum distance =  2.45323588920284 Angstroms
sigma value = 1