Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098557710648
cohesive_energy=4.242432871320217
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=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.71302687363976e-19, 4.998310445089799e-19, 5.249499697768319e-19, 5.4717215969041195e-19, 5.668757279353439e-19, 5.84355475012284e-19, 5.9983891000326e-19, 6.14719926579852e-19, 6.282999757296359e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.01639832367930099
Energy: 1.2179256493591495
Energy: 1.0730720883499563
Energy: 0.10642865577517299
Energy: 1.217925649358556
Energy: 1.1998543439376614
Energy: 0.10642865577576663
Energy: 1.199854343936439
Energy: 1.07307208835055
Energy: 0.10642865577639521
Energy: 0.01639832367930099
Energy: 0.01702064933842039
Energy: 0.10642865577517299
Energy: 1.199854343936439
Energy: 0.01702064933842039
Energy: 1.1998543439382898

minimum gb energy = 0.01639832367930099 eV
minimum distance =  2.5164261394233 Angstroms
sigma value = 1


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

Energy: 1.0106278368789088
Energy: 0.8054833733772284
Energy: 0.8333044202821562
Energy: 0.8312428910365136
Energy: 0.9077261000730336
Energy: 0.8705605235871524
Energy: 0.8469738024579522
Energy: 0.8705605235871524
Energy: 0.8184906637283248
Energy: 0.8148131382768162
Energy: 0.8584805229440956
Energy: 0.8148131382760537
Energy: 0.8468847856339712
Energy: 0.8503032105894499
Energy: 0.8474012930674217
Energy: 0.8503032105894499
Energy: 0.9227324513677493
Energy: 0.8496425092616553
Energy: 0.8481880739958626
Energy: 0.8496425092624176
Energy: 0.8462202074320175
Energy: 0.996252462528418
Energy: 0.8476435892255415
Energy: 0.9962524625246065
Energy: 0.9141582268482139
Energy: 0.999837625352732
Energy: 0.9199172697776193
Energy: 0.9998376253519697
Energy: 0.9218262141050846
Energy: 1.0740582135249213
Energy: 0.8549437198079
Energy: 1.0740582135249213
Energy: 0.8549510993348848
Energy: 1.0699762840428355
Energy: 0.8528298189498847
Energy: 1.0699762840428355
Energy: 0.917364023566262
Energy: 1.0697228573555804
Energy: 0.9278291571998643
Energy: 1.0697228573555804
Energy: 0.9164436413085384
Energy: 1.0694248577720187
Energy: 0.8535624933384508
Energy: 1.0694248577727812
Energy: 0.921374780989893
Energy: 1.0677247136022938
Energy: 0.8567353677463744
Energy: 1.0677247136022938
Energy: 0.9131297134363747
Energy: 0.9996205953583167
Energy: 0.9161601555681037
Energy: 0.9996205953583167
Energy: 0.8476991689512479
Energy: 1.0003284154669223
Energy: 0.9137927117311412
Energy: 1.0003284154646352
Energy: 0.9187267195352765
Energy: 0.8513547308727676
Energy: 0.8477355317296017
Energy: 0.8513547308720053
Energy: 0.7837723170943512
Energy: 0.8493268441227653
Energy: 0.8469258727157034
Energy: 0.849326844119716
Energy: 0.8165450914489979
Energy: 0.8155869913346333
Energy: 0.7857815450769701
Energy: 0.8155869913346333
Energy: 0.8474112627425502
Energy: 0.8473583406118277
Energy: 0.9078509658572393
Energy: 0.8473583406118277
Energy: 0.8577662695235097
Energy: 0.8195543190118533
Energy: 0.8193301782260868
Energy: 0.8195543190110909
Energy: 0.8489887286808852
Energy: 0.8471868962128887
Energy: 0.8469895278947944
Energy: 0.8471868962128887
Energy: 0.8499429475603281
Energy: 0.8474676083035217
Energy: 0.9236813527604846
Energy: 0.8474676083027595
Energy: 0.8469961840498246
Energy: 0.8481150166125231
Energy: 0.8460233462776687
Energy: 0.8481150166109985
Energy: 0.9199914935666149
Energy: 0.9979072951524514
Energy: 0.9146859615659649
Energy: 0.9979072951524514
Energy: 0.8542906842259694
Energy: 0.9966478542666894
Energy: 0.9242466154890311
Energy: 0.996647854267452
Energy: 0.9235963731909371
Energy: 1.0708036331676516
Energy: 0.8551532142512448
Energy: 1.070803633168414
Energy: 0.9301790366060197
Energy: 1.0688597554328947
Energy: 0.919893596160134
Energy: 1.0688597554336567
Energy: 0.8541565804771519
Energy: 1.0707728174191777
Energy: 0.915857725805467
Energy: 1.0707728174199402
Energy: 0.9137845514118443
Energy: 1.068724483594381
Energy: 0.9225895900367709
Energy: 1.0687244835936185
Energy: 0.9160753334593429
Energy: 1.0011959325658966
Energy: 0.9222841136580162
Energy: 1.0011959325658966
Energy: 0.9134496512482294
Energy: 1.0011808049581852
Energy: 0.8488898584674387
Energy: 1.0011808049589477
Energy: 0.8509014867025967
Energy: 0.8504086067203737
Energy: 0.9192112507320226
Energy: 0.8504086067203737
Energy: 0.8468514632364909
Energy: 0.84806596381153
Energy: 0.8476309513545707
Energy: 0.84806596381153
Energy: 0.7857200129107292
Energy: 0.8477739614975083
Energy: 0.815402266746375
Energy: 0.8477739614967459

minimum gb energy = 0.7837723170943512 eV
minimum distance =  2.2550954085295 Angstroms
sigma value = 1


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

Energy: 1.9367852325199892
Energy: 0.839667309490606
Energy: 0.8890062753728036
Energy: 0.8872490653027707
Energy: 0.9779697421309506
Energy: 0.928892467057099
Energy: 0.9086908248912836
Energy: 0.928892467057099
Energy: 0.8711606482109748
Energy: 0.8688505551120683
Energy: 0.9162071772215649
Energy: 0.8688505551129376
Energy: 0.9071254098729535
Energy: 0.910663493866016
Energy: 0.9084488772689594
Energy: 0.9106634938668853
Energy: 0.9131125459074855
Energy: 0.9093417041690761
Energy: 0.9081876312093786
Energy: 0.9093417041682069
Energy: 0.9075560233779912
Energy: 1.0903475586743523
Energy: 0.9085465183838217
Energy: 1.0903475586752216
Energy: 0.9078174065935071
Energy: 1.0748028046690692
Energy: 0.9132196144417742
Energy: 1.0748028046716767
Energy: 0.9921435349806214
Energy: 1.0749820936553889
Energy: 0.9115693874435994
Energy: 1.0749820936545198
Energy: 0.9121633023144851
Energy: 1.1442902148353538
Energy: 0.8351851690687486
Energy: 1.1442902148344847
Energy: 0.9133278900460894
Energy: 1.144179234364545
Energy: 0.9925694467453062
Energy: 1.144179234366283
Energy: 0.9773218836659492
Energy: 1.0777186522093765
Energy: 0.9066674728272412
Energy: 1.0777186522085074
Energy: 0.9800334366250603
Energy: 1.084911171198502
Energy: 0.9088992460145002
Energy: 1.0849111712045862
Energy: 0.9091597975970996
Energy: 0.9126458717378144
Energy: 0.9817876431243351
Energy: 0.9126458717386835
Energy: 0.9081073054962722
Energy: 0.9103356541639758
Energy: 0.8337378079033582
Energy: 0.9103356541639758
Energy: 0.9824622960587068
Energy: 0.8662733805905019
Energy: 0.869493065321606
Energy: 0.8662733805896325
Energy: 0.9783001296430072
Energy: 0.9080998804005117
Energy: 0.9080551798778352
Energy: 0.9080998804005117
Energy: 0.8737007363330095
Energy: 0.8726330747634632
Energy: 0.9861362817390518
Energy: 0.8726330747652016
Energy: 0.907222306313547
Energy: 0.9078400301279643
Energy: 0.9103476191633497
Energy: 0.9078400301288335
Energy: 0.9131212012621659
Energy: 0.9083764104855923
Energy: 0.9088564981143478
Energy: 0.9083764104821155
Energy: 0.9067780337262342
Energy: 0.9118704125375705
Energy: 0.9087753331481313
Energy: 0.911870412540178
Energy: 0.9076369477825377
Energy: 1.076046092375649
Energy: 0.9794960232016595
Energy: 1.0760460922713868
Energy: 0.9907285091876694
Energy: 1.0751053482301065
Energy: 0.9113588071564672
Energy: 1.0751053482257609
Energy: 0.9124678278120623
Energy: 1.1452791303177114
Energy: 0.8366993254380146
Energy: 1.1452791303168424
Energy: 0.91079355039806
Energy: 1.1439995975324133
Energy: 0.9863348116512182
Energy: 1.143999597535021
Energy: 0.9771133937227968
Energy: 1.07900346061015
Energy: 0.9090395550134152
Energy: 1.0790034606092807
Energy: 0.980108502808476
Energy: 1.0741658238137055
Energy: 0.9092649629920403
Energy: 1.074165823811098
Energy: 0.9101960530849222
Energy: 0.9107460237084055
Energy: 0.9814973532339735
Energy: 0.9107460237092747
Energy: 0.9083277674274526
Energy: 0.9093818738087416
Energy: 0.8335924609462684
Energy: 0.9093818738078724
Energy: 0.8360811022832002
Energy: 0.9078192549031864
Energy: 0.8681823540651336
Energy: 0.9078192549031864

minimum gb energy = 0.8335924609462684 eV
minimum distance =  2.25709525860355 Angstroms
sigma value = 25


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

Energy: 1.836130207815335
Energy: 0.9231851926925925
Energy: 0.9566002513417747
Energy: 0.9552148471856473
Energy: 1.06492847925147
Energy: 0.9988516660177226
Energy: 0.9816733651415583
Energy: 0.9988516660177226
Energy: 0.9312047950565543
Energy: 0.9298203846865146
Energy: 0.9895166238631982
Energy: 0.9298203846855042
Energy: 0.9804324787507227
Energy: 0.9917234888817733
Energy: 0.9819020877517806
Energy: 0.9917234888827837
Energy: 0.9819180532481753
Energy: 0.9852397986948886
Energy: 0.9824719738657287
Energy: 0.9852397986938781
Energy: 0.9817778590735704
Energy: 1.1814048256720253
Energy: 0.9830811176877939
Energy: 1.1814048256710152
Energy: 0.9811674524216467
Energy: 1.2045441147806566
Energy: 0.983462964000767
Energy: 1.2045441147796463
Energy: 1.0765048962691905
Energy: 1.1694364642365096
Energy: 1.0453454220932885
Energy: 1.1694364642365096
Energy: 0.9804683912010911
Energy: 1.1716229495982344
Energy: 0.8969116648498805
Energy: 1.1716229496315318
Energy: 0.9831328322411871
Energy: 1.204192667808168
Energy: 0.9828408472640351
Energy: 1.2041926678071577
Energy: 1.048859459314346
Energy: 0.9873615815270272
Energy: 0.9827978427351325
Energy: 0.9873615815290482
Energy: 0.9743906930644285
Energy: 0.9870294695689631
Energy: 0.982486334574967
Energy: 0.9870294695679527
Energy: 0.9320118222828715
Energy: 0.9301147636060095
Energy: 1.0584727459272845
Energy: 0.9301147636049991
Energy: 0.9819592281609724
Energy: 0.981341022707862
Energy: 1.068547964649884
Energy: 0.981341022707862
Energy: 0.9887583701919612
Energy: 0.9366446084574548
Energy: 0.9390901921248948
Energy: 0.9366446084574548
Energy: 1.0145653075206218
Energy: 0.9816540448916936
Energy: 0.9293653446270094
Energy: 0.9816540448906831
Energy: 0.9835372598620444
Energy: 0.9821981427623414
Energy: 0.9826376620475316
Energy: 0.9821981427623414
Energy: 0.9830705375307727
Energy: 0.9862072919500561
Energy: 0.9816888165147366
Energy: 0.9862072919500561
Energy: 0.982711015184952
Energy: 1.172086202822989
Energy: 0.9811787217342244
Energy: 1.1720862028199575
Energy: 0.9102792595976806
Energy: 1.1712736261820897
Energy: 0.9818796831587407
Energy: 1.1712736261820897
Energy: 0.8931504904725298
Energy: 1.206261961837697
Energy: 0.9810311714445042
Energy: 1.2062619618387076
Energy: 0.9877172094410492
Energy: 1.2018458156000824
Energy: 0.9812994710468362
Energy: 1.201845815601093
Energy: 0.984623473084052
Energy: 0.9879757595243759
Energy: 1.0487207277515311
Energy: 0.9879757595243759
Energy: 0.9823697856525846
Energy: 0.9902451839855169
Energy: 0.9737208331957332
Energy: 0.9902451839865273
Energy: 0.897268727763675
Energy: 0.9810959010135767
Energy: 0.9313948763630879
Energy: 0.9810959010135767

minimum gb energy = 0.8931504904725298 eV
minimum distance =  2.26339556247163 Angstroms
sigma value = 9


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

Energy: 1.6855345020433656
Energy: 0.9740174812190102
Energy: 1.0353687829757205
Energy: 1.0056982998212312
Energy: 1.1213633910293306
Energy: 1.0779284151162396
Energy: 1.0763667620249586
Energy: 1.0779284151162396
Energy: 1.004258133831665
Energy: 1.0039239015035821
Energy: 1.0220853278370026
Energy: 1.0039239015035821
Energy: 1.0029392795690948
Energy: 1.0792299241310945
Energy: 1.0764697695583645
Energy: 1.0792299241298893
Energy: 1.1700597425670416
Energy: 1.0780553146871366
Energy: 1.0763608873753976
Energy: 1.0780553146871366
Energy: 1.164245419493979
Energy: 1.3183535522792766
Energy: 1.0763849256180744
Energy: 1.3183535522792766
Energy: 1.1843677062198061
Energy: 1.3150270220795466
Energy: 1.1646511791328864
Energy: 1.315027022080752
Energy: 1.0945038329394172
Energy: 1.318154915455882
Energy: 1.166107259580172
Energy: 1.3181549154570873
Energy: 1.0764749061686558
Energy: 1.0774794489360258
Energy: 1.0508319153401091
Energy: 1.0774794489372312
Energy: 1.0763865797724954
Energy: 1.0774231257359879
Energy: 1.0520009422955374
Energy: 1.0774231257492466
Energy: 1.059981756931807
Energy: 1.0037669410195846
Energy: 1.0041295896351456
Energy: 1.0037669410195846
Energy: 1.1209332598390276
Energy: 1.073381271516595
Energy: 1.014886045546347
Energy: 1.0733812715153896
Energy: 1.0168824659691618
Energy: 1.014632868309298
Energy: 1.0214991882520663
Energy: 1.014632868309298
Energy: 1.002780320005266
Energy: 1.073313110637924
Energy: 1.0953957665000966
Energy: 1.0733131106367186
Energy: 1.0943087956797832
Energy: 1.0740299062036727
Energy: 1.077409822423232
Energy: 1.074029906204878
Energy: 1.1630615447613961
Energy: 1.0772255345199344
Energy: 1.076943021967036
Energy: 1.0772255345163182
Energy: 1.1799226863018326
Energy: 1.3193387576888846
Energy: 1.092317992129433
Energy: 1.3193387576888846
Energy: 1.179261223719536
Energy: 1.3166859820306245
Energy: 1.1645848795528024
Energy: 1.31668598203183
Energy: 1.0778019823811202
Energy: 1.0773643355806553
Energy: 0.9624430971467627
Energy: 1.07736433557945
Energy: 1.076389265203146
Energy: 1.0769609516995062
Energy: 0.9631475528022302
Energy: 1.076960951701917
Energy: 0.9672265298342242
Energy: 1.0025855348001407
Energy: 1.0042171301998954
Energy: 1.002585534801346

minimum gb energy = 0.9624430971467627 eV
minimum distance =  2.27977670615031 Angstroms
sigma value = 25


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

Energy: 1.3417708709073108
Energy: 1.1019818750042982
Energy: 1.1579126044871078
Energy: 1.115663352952511
Energy: 1.1188612533243127
Energy: 1.1443149576450884
Energy: 1.1260779657081723
Energy: 1.1443149576450884
Energy: 1.114054471630244
Energy: 1.1134133923521072
Energy: 1.1172690199218134
Energy: 1.1134133923506164
Energy: 1.1121309670252293
Energy: 1.1449438593684989
Energy: 1.0880693734510807
Energy: 1.1449438593684989
Energy: 1.0894697380684037
Energy: 1.2636079936319464
Energy: 1.0909139479817807
Energy: 1.2636079936319464
Energy: 1.0613858510119554
Energy: 1.2703812085557724
Energy: 1.0882519929475445
Energy: 1.2703812085557724
Energy: 1.0575411937825316
Energy: 1.2630943575199756
Energy: 1.091076935254347
Energy: 1.2630943575184848
Energy: 1.0578544137737191
Energy: 1.262585069173717
Energy: 1.0923008015879359
Energy: 1.262585069173717
Energy: 1.114391890108005
Energy: 1.1139808188683968
Energy: 1.1603773598541667
Energy: 1.1139808188683968
Energy: 1.125102291497286
Energy: 1.1129184840195803
Energy: 1.1632049250663385
Energy: 1.1129184840180895
Energy: 1.1173705553112772
Energy: 1.112739742010434
Energy: 1.1275758317211326
Energy: 1.112739742010434
Energy: 1.1176770950389354
Energy: 1.0618802313310882
Energy: 1.1137341714267361
Energy: 1.0618802313310882
Energy: 1.0883665553189197
Energy: 1.269717345030957
Energy: 1.090793369467555
Energy: 1.269717345030957
Energy: 1.088887561217805
Energy: 1.2636216031497995
Energy: 1.0629691787134252
Energy: 1.2636216031497995
Energy: 1.0901862121706485
Energy: 1.2626642774831784
Energy: 1.0573719502522656
Energy: 1.2626642774846693
Energy: 1.088308897296907
Energy: 1.2626346344340444
Energy: 1.0577910600767035
Energy: 1.2626346344340444
Energy: 1.157822398302372
Energy: 1.1142579733701976
Energy: 1.1130244743633682
Energy: 1.1142579733701976

minimum gb energy = 1.0573719502522656 eV
minimum distance =  2.28280750361207 Angstroms
sigma value = 17


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

Energy: 2.0450806522799274
Energy: 1.1888412339121854
Energy: 1.2484858055233121
Energy: 1.1965253744157718
Energy: 1.166466130502745
Energy: 1.3454596784090793
Energy: 1.2148972077348243
Energy: 1.3454596784082353
Energy: 1.1313643249482068
Energy: 1.131550673101386
Energy: 1.1961974753516411
Energy: 1.1315506731005416
Energy: 1.1315472227323309
Energy: 1.343191487458626
Energy: 1.1305542584303059
Energy: 1.343191487458626
Energy: 1.2229247326328205
Energy: 1.3976635266093913
Energy: 1.2668157379746217
Energy: 1.3976635266102355
Energy: 1.133269986060257
Energy: 1.3995087576878025
Energy: 1.1302076754333878
Energy: 1.3995087576869583
Energy: 1.1569902558604814
Energy: 1.1304675560242345
Energy: 1.1341141356793685
Energy: 1.1304675560250788
Energy: 1.2256529246536645
Energy: 1.130278843679779
Energy: 1.157307265916082
Energy: 1.130278843679779
Energy: 1.2162800937617857
Energy: 1.1926916868286357
Energy: 1.1998939889953473
Energy: 1.1926916868277913
Energy: 1.1940131709459694
Energy: 1.1928914035028886
Energy: 1.2199924458705627
Energy: 1.1928914035028886
Energy: 1.2242108594184136
Energy: 1.1941358154642763
Energy: 1.126423876996951
Energy: 1.1941358154634318
Energy: 1.1928031504864345
Energy: 1.1932528240816305
Energy: 1.1886165393879464
Energy: 1.193252824080786
Energy: 1.1541186959136847
Energy: 1.1928955399379866
Energy: 1.1896251862354013
Energy: 1.1928955399379866
Energy: 1.1542287858884432
Energy: 1.1931019637191205
Energy: 1.1265802686430941
Energy: 1.1931019637191205
Energy: 1.1922494547639588
Energy: 1.1914030832400737
Energy: 1.2320875282397932
Energy: 1.191403083240918
Energy: 1.2170235806760241
Energy: 1.1917595826000236
Energy: 1.2320394931474807
Energy: 1.1917595826000236
Energy: 1.1960250527306338
Energy: 1.131569570566864
Energy: 1.1596132345981602
Energy: 1.131569570566864
Energy: 1.1957940754407388
Energy: 1.1310235791039298
Energy: 1.1318756744853258
Energy: 1.1310235791039298
Energy: 1.1306446134254102
Energy: 1.3978734847284506
Energy: 1.2252572131438682
Energy: 1.3978734847284506
Energy: 1.2741898702851735
Energy: 1.4006666595233594
Energy: 1.134454806187346
Energy: 1.4006666595233594
Energy: 1.132564716406492
Energy: 1.1313179921463794
Energy: 1.2261228287044907
Energy: 1.1313179921463794
Energy: 1.16012834244004
Energy: 1.1581634153476228
Energy: 1.1566056992020033
Energy: 1.158163415348467
Energy: 1.1775256974651727
Energy: 1.1924271410874778
Energy: 1.215615443289049
Energy: 1.192427141088322
Energy: 1.2001141344448945
Energy: 1.1928034859931824
Energy: 1.1927868514562256
Energy: 1.1928034859931824
Energy: 1.1896195688209943
Energy: 1.1936024806766967
Energy: 1.1929689862735071
Energy: 1.1936024806792291
Energy: 1.1886768040989428
Energy: 1.1927592201123491
Energy: 1.2244899787357146
Energy: 1.1927592201140376
Energy: 1.1257030897001665
Energy: 1.2714245320245194
Energy: 1.1556507776230682
Energy: 1.2714245320228312
Energy: 1.1896798902445227
Energy: 1.1924873333025274
Energy: 1.1541219796690105
Energy: 1.1924873333135024
Energy: 1.190826391952223
Energy: 1.3425883661816593
Energy: 1.1539590711237733
Energy: 1.3425883661808151
Energy: 1.231724756565255
Energy: 1.192869870690531
Energy: 1.1916416590847567
Energy: 1.1928698706921812

minimum gb energy = 1.1257030897001665 eV
minimum distance =  2.28764129721094 Angstroms
sigma value = 53


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

Energy: 1.8503428290507342
Energy: 1.1243001101678405
Energy: 1.2484076394246673
Energy: 1.1794514008106547
Energy: 1.239664547062073
Energy: 1.1779550036105024
Energy: 1.1811957883689859
Energy: 1.1779550036105024
Energy: 1.178411836702056
Energy: 1.1792097882287964
Energy: 1.2011269632259323
Energy: 1.1792097882287964
Energy: 1.1802527392182451
Energy: 1.1824924195137505
Energy: 1.1785336842222192
Energy: 1.1824924195156938
Energy: 1.1978272021318308
Energy: 1.1820847508295589
Energy: 1.1067556347740568
Energy: 1.1820847508295589
Energy: 1.1776416619961205
Energy: 1.1835472205308044
Energy: 1.106833894782971
Energy: 1.1835472205308044
Energy: 1.235188456604163
Energy: 1.178009154316005
Energy: 1.1799256168377148
Energy: 1.178009154316005
Energy: 1.2345584966623695
Energy: 1.1781427587799695
Energy: 1.177631615257157
Energy: 1.1781427587780262
Energy: 1.1802853420947153
Energy: 1.1785386969992266
Energy: 1.200644035479626
Energy: 1.178538696997283
Energy: 1.1790630303969158
Energy: 1.1777182425121135
Energy: 1.1792927189212568
Energy: 1.1777182425121135
Energy: 1.1977488110479428
Energy: 1.1848713705232012
Energy: 1.1076330693335241
Energy: 1.1848713705232012
Energy: 1.1805753482066905
Energy: 1.181900941055382
Energy: 1.1103143843648067
Energy: 1.181900941055382
Energy: 1.234563996948641
Energy: 1.1790994483086632
Energy: 1.1776803011828632
Energy: 1.1790994483067196

minimum gb energy = 1.1067556347740568 eV
minimum distance =  2.28816686123282 Angstroms
sigma value = 9


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

Energy: 1.74925399227012
Energy: 1.2196867028293799
Energy: 1.3195714998911998
Energy: 1.2303016821334316
Energy: 1.2517480810224888
Energy: 1.1684147961776103
Energy: 1.3224699997780576
Energy: 1.1684147961776103
Energy: 1.1687540412572575
Energy: 1.1701234130573
Energy: 1.2298597441508479
Energy: 1.1701234130573
Energy: 1.172803174584145
Energy: 1.1701024694677988
Energy: 1.2767542557479512
Energy: 1.1701024694670794
Energy: 1.1706229037322156
Energy: 1.1684722692829774
Energy: 1.2749824634264855
Energy: 1.1684722692836969
Energy: 1.22560528937336
Energy: 1.1686141392498839
Energy: 1.2747748309861822
Energy: 1.1686141392498839
Energy: 1.3197913598912543
Energy: 1.228857225217184
Energy: 1.3163307033626939
Energy: 1.2288572252179035
Energy: 1.3200030314954296
Energy: 1.2277058322407064
Energy: 1.2294197880221056
Energy: 1.2277058322407064
Energy: 1.1612923150706667
Energy: 1.3831996952645078
Energy: 1.203212466629743
Energy: 1.3831996952645078
Energy: 1.196307610044729
Energy: 1.3562932825049365
Energy: 1.2327361532936394
Energy: 1.3562932825049365
Energy: 1.158069365415136
Energy: 1.1579889660215288
Energy: 1.34789355005334
Energy: 1.1579889660208091
Energy: 1.2588797360089894
Energy: 1.2170337409850918
Energy: 1.2792945747853126
Energy: 1.2170337409843723
Energy: 1.317058606412587
Energy: 1.1587541716637368
Energy: 1.333747534809451
Energy: 1.1587541716644563
Energy: 1.3167904146545164
Energy: 1.1592029336464444
Energy: 1.1627542887361126
Energy: 1.1592029336457248
Energy: 1.2271412831829849
Energy: 1.3558491366682472
Energy: 1.1994616636109545
Energy: 1.3558491366675278
Energy: 1.1774389204231626
Energy: 1.3810868970615442
Energy: 1.19911056045878
Energy: 1.3810868970658605
Energy: 1.2343169728732033
Energy: 1.3829535751691662
Energy: 1.1620109678846589
Energy: 1.3829535751691662
Energy: 1.237788900882485
Energy: 1.2299148479561788
Energy: 1.2828379061244592
Energy: 1.2299148479554594
Energy: 1.3206208125881442
Energy: 1.2282807313127206
Energy: 1.3060634454156346
Energy: 1.228280731315598
Energy: 1.2297614914461095
Energy: 1.1704871868619733
Energy: 1.1842235292063161
Energy: 1.1704871868612539
Energy: 1.3193811989207385
Energy: 1.1693028201101208
Energy: 1.171982411419733
Energy: 1.1693028201101208
Energy: 1.274604283126786
Energy: 1.1680640767449928
Energy: 1.1685716126841161
Energy: 1.1680640767442736
Energy: 1.274854483647654
Energy: 1.1689289487190457
Energy: 1.2241985880278654
Energy: 1.1689289487190457
Energy: 1.3157691949471997
Energy: 1.2284926263559832
Energy: 1.3206697951982205
Energy: 1.2284926263545444
Energy: 1.2297642852170187
Energy: 1.2280308084645792
Energy: 1.3196071651690182
Energy: 1.2280308084660179
Energy: 1.201659900500569
Energy: 1.4289677426507508
Energy: 1.1601665432326138
Energy: 1.428967742647154
Energy: 1.2338537257871345
Energy: 1.3557028772998416
Energy: 1.1953830699686163
Energy: 1.3557028772998416
Energy: 1.3484163788526236
Energy: 1.158106977795885
Energy: 1.1590678105454493
Energy: 1.1581069777951658
Energy: 1.2794460926107483
Energy: 1.1741110168275795
Energy: 1.203369562652578
Energy: 1.1741110168275795
Energy: 1.3356058334169503
Energy: 1.1589140905928987
Energy: 1.31681367680294
Energy: 1.158914090593618
Energy: 1.1629221205355258
Energy: 1.1594953276303217
Energy: 1.2328385968466093
Energy: 1.1594953276303217
Energy: 1.167102310949984
Energy: 1.335639659328528
Energy: 1.2282824056479718
Energy: 1.3356396593278088
Energy: 1.1998899316406768
Energy: 1.3787395154063882
Energy: 1.1773185228299832
Energy: 1.3787395154056687
Energy: 1.1606364559208489
Energy: 1.3822156262800145
Energy: 1.1856709762881328
Energy: 1.3822156262792955
Energy: 1.2827375147303277
Energy: 1.2291642901553275
Energy: 1.2359524232160979
Energy: 1.2291642901553275

minimum gb energy = 1.1579889660208091 eV
minimum distance =  2.28844307455933 Angstroms
sigma value = 73


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

Energy: 1.863546970051674
Energy: 1.1622115986646866
Energy: 1.1816813873334961
Energy: 1.1826422425673047
Energy: 1.1535586051705624
Energy: 1.1672013370707273
Energy: 1.2044298671578668
Energy: 1.1672013370707273
Energy: 1.141427870658107
Energy: 1.1678882038317104
Energy: 1.2053332015081368
Energy: 1.1678882038317104
Energy: 1.1676467977716452
Energy: 1.167831903885441
Energy: 1.243348000180513
Energy: 1.167831903885441
Energy: 1.1753306799289787
Energy: 1.1737951659227714
Energy: 1.2733711826956782
Energy: 1.1737951659216301
Energy: 1.194797759505988
Energy: 1.1738308156222383
Energy: 1.2735370069462868
Energy: 1.1738308156222383
Energy: 1.227811418066502
Energy: 1.2126129767750315
Energy: 1.2705551162046338
Energy: 1.2126129767750315
Energy: 1.2274636088076383
Energy: 1.211612405115981
Energy: 1.212882131805345
Energy: 1.211612405115981
Energy: 1.1745031662147714
Energy: 1.5324252043946394
Energy: 1.2116564121995985
Energy: 1.5324252043957807
Energy: 1.2000032322358523
Energy: 1.3845451560695192
Energy: 1.2132483933808125
Energy: 1.3845451560706605
Energy: 1.176502395075115
Energy: 1.1087038865711374
Energy: 1.1102305374662917
Energy: 1.1087038865711374
Energy: 1.188155852129695
Energy: 1.1110579431333671
Energy: 1.240980180685819
Energy: 1.1110579431322258
Energy: 1.2051608365978783
Energy: 1.307480985993931
Energy: 1.2115621707211244
Energy: 1.3074809859950722
Energy: 1.205001894651365
Energy: 1.1574164658097035
Energy: 1.155919697686905
Energy: 1.1574164658097035
Energy: 1.230322628046474
Energy: 1.201628592155626
Energy: 1.1586913213511492
Energy: 1.2016285921567673
Energy: 1.2735254100911015
Energy: 1.1997892415875087
Energy: 1.2063139714656543
Energy: 1.1997892415886497
Energy: 1.2737905834171686
Energy: 1.197876561496204
Energy: 1.206905965068385
Energy: 1.197876561496204
Energy: 1.2130027612262293
Energy: 1.2588190231385084
Energy: 1.2286712660363142
Energy: 1.2588190231385084
Energy: 1.1911558315126947
Energy: 1.1895320624477645
Energy: 1.2277061493322912
Energy: 1.1895320624489056
Energy: 1.244241910800636
Energy: 1.2999219492492375
Energy: 1.1817321752210432
Energy: 1.2999219492492375
Energy: 1.1890738037105595
Energy: 1.396680495690782
Energy: 1.201370251747959
Energy: 1.396680495690782
Energy: 1.2820883668582157
Energy: 1.1815282233032767
Energy: 1.1842534183576556
Energy: 1.181528223304418

minimum gb energy = 1.1087038865711374 eV
minimum distance =  2.27598065139398 Angstroms
sigma value = 7


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

Energy: 1.3932611804619424
Energy: 1.1496158311990508
Energy: 1.300566053960625
Energy: 1.1867792148018692
Energy: 1.2634823663617631
Energy: 1.3643075322987497
Energy: 1.2849723081783668
Energy: 1.3643075322882583
Energy: 1.1446139441585421
Energy: 1.2022382786875878
Energy: 1.2513560148054113
Energy: 1.2022382786892016
Energy: 1.153568207466757
Energy: 1.154383188835628
Energy: 1.282092095594981
Energy: 1.154383188836435
Energy: 1.1496757170103697
Energy: 1.146149579132579
Energy: 1.2390207182622288
Energy: 1.1461495791333862
Energy: 1.311220743464032
Energy: 1.1461401276611574
Energy: 1.2451846253796177
Energy: 1.1461401276595435
Energy: 1.2830302905678042
Energy: 1.1466255815170692
Energy: 1.308930666780733
Energy: 1.1466255815178763
Energy: 1.2832934035064107
Energy: 1.1453299662955039
Energy: 1.146136642360647
Energy: 1.145329966297925
Energy: 1.3182180346321564
Energy: 1.2004436210556986
Energy: 1.2005381305937237
Energy: 1.2004436210556986
Energy: 1.2340911878979517
Energy: 1.460592969849103
Energy: 1.1434073066813366
Energy: 1.460592969849103
Energy: 1.2817867912325707
Energy: 1.1830851040634767
Energy: 1.3094255720967685
Energy: 1.1830851040634767
Energy: 1.190642486081581
Energy: 1.1849198339421925
Energy: 1.2868743806556606
Energy: 1.1849198339446134
Energy: 1.1881839761360777
Energy: 1.3651103194818197
Energy: 1.1864474711051245
Energy: 1.3651103194810126
Energy: 1.1832236866547676
Energy: 1.2970278838220548
Energy: 1.2421238289956211
Energy: 1.2970278838236688
Energy: 1.1862873716103166
Energy: 1.3644698322911764
Energy: 1.1350552999902916
Energy: 1.3644698322943674
Energy: 1.3256178786333508
Energy: 1.1847734411043376
Energy: 1.190579337873983
Energy: 1.1847734411043376
Energy: 1.3252595429707232
Energy: 1.1820988844369134
Energy: 1.282494385549259
Energy: 1.1820988844393345
Energy: 1.1442895877339407
Energy: 1.4606219459914802
Energy: 1.2534277117476225
Energy: 1.460621945994708
Energy: 1.200964262559776
Energy: 1.2010164438344433
Energy: 1.2836928312346105
Energy: 1.2010164438328295
Energy: 1.145340743700463
Energy: 1.1447544318425529
Energy: 1.322029203622562
Energy: 1.1447544318425529
Energy: 1.3081481656603582
Energy: 1.1465671415899297
Energy: 1.2389265733474577
Energy: 1.1465671415899297
Energy: 1.2832267345594586
Energy: 1.1462991565485887
Energy: 1.3107514560253242
Energy: 1.1462991565518166
Energy: 1.2831608193297197
Energy: 1.1462265952518524
Energy: 1.147568675712469
Energy: 1.1462265952510453
Energy: 1.3170580393349274
Energy: 1.201825053451939
Energy: 1.1485001280736866
Energy: 1.201825053453553
Energy: 1.2339389460883108
Energy: 1.202578753839845
Energy: 1.144887877829264
Energy: 1.2025787538390378
Energy: 1.2388975372996034
Energy: 1.364055598834942
Energy: 1.2112969626534664
Energy: 1.364055598834942
Energy: 1.1826342103560326
Energy: 1.185807266247465
Energy: 1.8650404598042127
Energy: 1.1858072662506927
Energy: 1.1855352490747828
Energy: 1.3651583363504343
Energy: 1.1816251258731267
Energy: 1.3651583363512414
Energy: 1.250549698972958
Energy: 1.2997338812610468
Energy: 1.1882186556350618
Energy: 1.299733881261854
Energy: 1.183359627544472
Energy: 1.4135538412680848
Energy: 1.240916811890593
Energy: 1.4135538412672777
Energy: 1.325776068596454
Energy: 1.1826140996612435
Energy: 1.1874275617685812
Energy: 1.1826140996636647

minimum gb energy = 1.1350552999902916 eV
minimum distance =  2.28494954343588 Angstroms
sigma value = 29


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

Energy: 1.1935420077195509
Energy: 1.2314874345733386
Energy: 1.0831301398656847
Energy: 1.1620932105516772
Energy: 1.0777621226180865
Energy: 1.15711999121812
Energy: 1.0802573574645573
Energy: 1.157119991218651
Energy: 1.0818986079089046
Energy: 1.1577657567483826
Energy: 1.1406510891812809
Energy: 1.1577657567489448
Energy: 1.0814276934626303
Energy: 1.0817154396203865
Energy: 1.0798279331156182
Energy: 1.0817154396201054
Energy: 1.0810327106555593
Energy: 1.0820732653207936
Energy: 1.0764934940027677
Energy: 1.0820732653202627
Energy: 1.079816928419956
Energy: 1.1575541055805407
Energy: 1.0819822595161714
Energy: 1.1575541055808218
Energy: 1.1407197551412946
Energy: 1.1576465402737164
Energy: 1.0803229025283443
Energy: 1.1576465402739977
Energy: 1.0799913185718133
Energy: 1.0837845140801756
Energy: 1.0796283643119304
Energy: 1.0837845140801756
Energy: 1.0773815183127489
Energy: 1.1406152715545224
Energy: 1.0820769736314504
Energy: 1.1406152715548037

minimum gb energy = 1.0764934940027677 eV
minimum distance =  2.26788185153247 Angstroms
sigma value = 5


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

Energy: 1.4059077563444449
Energy: 1.0865055803501167
Energy: 1.2736370305926703
Energy: 1.0920575496042044
Energy: 1.3055235066917257
Energy: 1.072345378466974
Energy: 1.2377321604638334
Energy: 1.0723453784662116
Energy: 1.2381175775237838
Energy: 1.1674174874456247
Energy: 1.24390632573933
Energy: 1.1674174874456247
Energy: 1.0918190161398387
Energy: 1.0974861289931912
Energy: 1.2415551786025756
Energy: 1.0974861289909041
Energy: 1.2409527070541604
Energy: 1.074515353054951
Energy: 1.35300849354446
Energy: 1.074515353054951
Energy: 1.076828049633875
Energy: 1.0742651138839734
Energy: 1.3516417081030216
Energy: 1.0742651138839734
Energy: 1.1077595052187892
Energy: 1.1085206939732073
Energy: 1.342520188387742
Energy: 1.1085206939732073
Energy: 1.0727014997014508
Energy: 1.0730987947885469
Energy: 1.3840288312833817
Energy: 1.0730987947900714
Energy: 1.3039075506820919
Energy: 1.291551983890551
Energy: 1.3860470988305367
Energy: 1.291551983890551
Energy: 1.2748392583015917
Energy: 1.0686914535975927
Energy: 1.0726522233716642
Energy: 1.068691453598355
Energy: 1.3024147220316948
Energy: 1.0689982582062554
Energy: 1.0690936236712514
Energy: 1.0689982582054933
Energy: 1.3904507837942686
Energy: 1.0700091384677146
Energy: 1.0716040282805743
Energy: 1.0700091384669526
Energy: 1.393726185436023
Energy: 1.059269742156199
Energy: 1.3444027777050356
Energy: 1.059269742156199
Energy: 1.3005987147751998
Energy: 1.1147288656222065
Energy: 1.2446116668649339
Energy: 1.1147288656214445
Energy: 1.0749330141661462
Energy: 1.0780247629915385
Energy: 1.2407976368932734
Energy: 1.0780247629915385
Energy: 1.0723866363924133
Energy: 1.0727224536915427
Energy: 1.3470321197542854
Energy: 1.072722453692305
Energy: 1.0720948533096257
Energy: 1.0894340377472849
Energy: 1.0971890608115962
Energy: 1.0894340377472849
Energy: 1.2368894838742237
Energy: 1.0718796427131179
Energy: 1.3075758058409654
Energy: 1.0718796427131179
Energy: 1.2685357034677534
Energy: 1.1677956690277658
Energy: 1.2376801777910262
Energy: 1.1677956690270033
Energy: 1.2389372696160146
Energy: 1.0993399444617242
Energy: 1.1338650167682447
Energy: 1.0993399444632488
Energy: 1.3506215535508221
Energy: 1.0742783344975027
Energy: 1.238585440356442
Energy: 1.0742783344967404
Energy: 1.3542960921920164
Energy: 1.0749133941261542
Energy: 1.0792586744496369
Energy: 1.074913394126847
Energy: 1.3436084353432851
Energy: 1.107627169573477
Energy: 1.0756904863039458
Energy: 1.107627169573477
Energy: 1.394650175734487
Energy: 1.074441191244171
Energy: 1.0727645623128923
Energy: 1.074441191244171
Energy: 1.3887341161526907
Energy: 1.1175310051486258
Energy: 1.302265107791838
Energy: 1.1175310051486258
Energy: 1.0700287594526405
Energy: 1.06901333311897
Energy: 1.2735516938031086
Energy: 1.06901333311897
Energy: 1.0692570165499935
Energy: 1.0688331548627361
Energy: 1.3032935137204844
Energy: 1.0688331548627361
Energy: 1.0692212016710647
Energy: 1.0686299590962571
Energy: 1.304680158550982
Energy: 1.0686299590977817
Energy: 1.191199245017877
Energy: 1.059581039245169
Energy: 1.3962071959154594
Energy: 1.0595810392459313
Energy: 1.2425135665014917
Energy: 1.1138886904415364
Energy: 1.3016398742454935
Energy: 1.1138886904422989
Energy: 1.2432566738531758
Energy: 1.0742703886081242
Energy: 1.0736905972586883
Energy: 1.0742703886081242
Energy: 1.3460247051674603
Energy: 1.0739292214029237
Energy: 1.0743524583988107
Energy: 1.0739292214036167
Energy: 1.092746843169384
Energy: 1.079369342898336
Energy: 1.0818391306928417
Energy: 1.0793693428975737

minimum gb energy = 1.059269742156199 eV
minimum distance =  2.30095550019395 Angstroms
sigma value = 1


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

Energy: 1.3782641179585977
Energy: 1.0217300738936
Energy: 1.2224788017937938
Energy: 1.031453724998858
Energy: 1.3809632298016765
Energy: 1.0239766174007439
Energy: 1.251593904830337
Energy: 1.0239766173986358
Energy: 1.2534651916556288
Energy: 1.132530185777655
Energy: 1.2508752819509128
Energy: 1.132530185777655
Energy: 1.1627255950010051
Energy: 1.2635972395085915
Energy: 1.2547782139170764
Energy: 1.2635972395075374
Energy: 1.2553604685417408
Energy: 1.0346651642195526
Energy: 1.3736737277573736
Energy: 1.0346651642195526
Energy: 1.028759742371192
Energy: 1.0322595839701154
Energy: 1.3747477911670336
Energy: 1.0322595839701154
Energy: 1.0488300895013147
Energy: 1.0483563867318528
Energy: 1.3293500259220163
Energy: 1.0483563867318528
Energy: 1.0291239599946351
Energy: 1.0290880018168849
Energy: 1.354282870740855
Energy: 1.029088001817939
Energy: 1.2710949246297434
Energy: 1.2150455933328694
Energy: 1.4279159491707696
Energy: 1.2150455933328694
Energy: 1.354975421498705
Energy: 1.2167174008472448
Energy: 1.1163909027459928
Energy: 1.2167174008472448
Energy: 1.2698616188273288
Energy: 1.0016293137620091
Energy: 1.1217515989720679
Energy: 1.001629313759901
Energy: 1.4586280418336968
Energy: 1.0030545009486405
Energy: 1.11758255206334
Energy: 1.0030545009486405
Energy: 1.4539100258452637
Energy: 1.0014600033868917
Energy: 1.3447010981177294
Energy: 1.0014600033868917
Energy: 1.346714222078763
Energy: 1.0021393592978654
Energy: 1.3405681952448336
Energy: 1.0021393592978654
Energy: 1.1462584195820225
Energy: 1.232906181221672
Energy: 1.343875614619097
Energy: 1.232906181221672
Energy: 1.1445228765314053
Energy: 1.2237848548977448
Energy: 1.3329050585668425
Energy: 1.2237848548977448
Energy: 1.145862330246993
Energy: 1.0451365194180748
Energy: 1.1477067768279399
Energy: 1.0451365194191289
Energy: 1.0355712001782258
Energy: 1.0342354994024263
Energy: 1.3771582796793387
Energy: 1.0342354994013723
Energy: 1.043947909076535
Energy: 1.0440507045411613
Energy: 1.4269303584295148
Energy: 1.0440507045401075
Energy: 1.036524890520158
Energy: 1.0948815767089544
Energy: 1.354036881836284
Energy: 1.0948815767089544
Energy: 1.3569299176365948
Energy: 1.0425324456310252
Energy: 1.4259483264373696
Energy: 1.042532445617323
Energy: 1.3589770533121301
Energy: 1.0293282540969082
Energy: 1.0242615615078003
Energy: 1.0293282540979622
Energy: 1.4090300360962238
Energy: 1.040400797829507
Energy: 1.0291700277634024
Energy: 1.040400797830561
Energy: 1.3594623678454811
Energy: 1.0302511693191299
Energy: 1.0329873991092078
Energy: 1.0302511693191299

minimum gb energy = 1.0014600033868917 eV
minimum distance =  2.28549422802578 Angstroms
sigma value = 17


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

Energy: 1.557909816115313
Energy: 1.0109076209067422
Energy: 1.2344271132552536
Energy: 1.0224767410985627
Energy: 1.2326894609457977
Energy: 1.0112890797128429
Energy: 1.156511583203395
Energy: 1.0112890797121914
Energy: 1.2862516403393403
Energy: 1.239426280967122
Energy: 1.1645495323863486
Energy: 1.239426280967122
Energy: 1.294075137416934
Energy: 1.0660021886485747
Energy: 1.1635907827797396
Energy: 1.0660021886479232
Energy: 1.2850407665169974
Energy: 0.9967773667290691
Energy: 1.4220156314584698
Energy: 0.9967773667297207
Energy: 0.9976935936839227
Energy: 0.9976951022895952
Energy: 1.5134084203835871
Energy: 0.9976951022895952
Energy: 0.9968421512917625
Energy: 0.997280459742172
Energy: 1.3502264161049613
Energy: 0.9972804597415206
Energy: 0.998349289250781
Energy: 0.9976596005122844
Energy: 1.5525312178806034
Energy: 0.9976596005122844
Energy: 1.413082455315001
Energy: 0.9977509481801677
Energy: 1.4751465515989228
Energy: 0.9977509481821223
Energy: 1.1706231200176127
Energy: 1.0612635386048483
Energy: 1.1596252565801655
Energy: 1.0612635386061513
Energy: 1.4130477172374902
Energy: 1.0201353573050949
Energy: 1.0382443604928147
Energy: 1.0201353573050949
Energy: 1.5106923349798815
Energy: 1.0133747520385803
Energy: 1.1605011809139358
Energy: 1.0133747520398833
Energy: 1.517144283559897
Energy: 1.019569293610848
Energy: 1.021497838293929
Energy: 1.0195692936101965
Energy: 1.3903007823388727
Energy: 1.0187282938071938
Energy: 1.0168336157298874
Energy: 1.0187282938071938
Energy: 1.2921389195332758
Energy: 1.0169509419077927
Energy: 1.0117948857997257
Energy: 1.0169509419064897
Energy: 1.5469750537572289
Energy: 1.0189117164804553
Energy: 1.5042761231461408
Energy: 1.0189117164798038
Energy: 1.015712129777191
Energy: 1.0122493689028957
Energy: 1.4251756254684924
Energy: 1.0122493689028957
Energy: 1.0192978551951988
Energy: 1.019859912540949
Energy: 1.5072909161610193
Energy: 1.019859912540949
Energy: 1.0111732972976795
Energy: 1.0109992304325008
Energy: 1.4723695228256815
Energy: 1.0109992304325008
Energy: 1.1605663887454378
Energy: 1.0203592609766656
Energy: 1.5557932531721554
Energy: 1.020359260977317
Energy: 1.157788001984166
Energy: 1.0120352379278672
Energy: 1.2557970306071178
Energy: 1.0120352379252615
Energy: 1.1594801598874758
Energy: 1.2403508322205887
Energy: 1.2876842780671154
Energy: 1.2403508322205887
Energy: 1.166790925892818
Energy: 1.065296489354003
Energy: 1.2916876679051061
Energy: 1.0652964893527
Energy: 1.4233425341525303
Energy: 0.99700623618885
Energy: 1.1478893657414584
Energy: 0.9970062361895016
Energy: 1.510380681436376
Energy: 0.9979124160227877
Energy: 0.9982978023455717
Energy: 0.9979124160234392
Energy: 1.3501129296960208
Energy: 0.9965996619312032
Energy: 0.996298462433885
Energy: 0.9965996619305516
Energy: 1.5567028895974429
Energy: 0.9983843742053727
Energy: 1.0000485326537802
Energy: 0.9983843742053727
Energy: 1.4713391471666435
Energy: 0.9972627799507329
Energy: 1.4142782107934337
Energy: 0.9972627799507329
Energy: 1.1586386492722727
Energy: 1.0604761231484914
Energy: 1.169066589725767
Energy: 1.0604761231497943
Energy: 1.0376188611138681
Energy: 1.020416467995338
Energy: 1.414185583537462
Energy: 1.0204164679972925
Energy: 1.1634689749693732
Energy: 1.0204810366326305
Energy: 1.512845014188459
Energy: 1.0204810366326305
Energy: 1.0203057947988508
Energy: 1.020346372424598
Energy: 1.513935779784538
Energy: 1.0203463724239465
Energy: 1.019072385709622
Energy: 1.0196200042267198
Energy: 1.3906793942581581
Energy: 1.0196200042273713
Energy: 1.0122821243970435
Energy: 1.0113629530579749
Energy: 1.2950643354406466
Energy: 1.0113629530579749
Energy: 1.5058093110422237
Energy: 1.0200726766150623
Energy: 1.5435543740115547
Energy: 1.0200726766196226
Energy: 1.4273081781244221
Energy: 1.0126252877236388
Energy: 1.0138408536144223
Energy: 1.012625287724942
Energy: 1.5051382881046849
Energy: 1.019982775990624
Energy: 1.0189134675892104
Energy: 1.019982775990624
Energy: 1.4758385269885805
Energy: 1.0116583862404727
Energy: 1.0124008935394238
Energy: 1.0116583862398212

minimum gb energy = 0.996298462433885 eV
minimum distance =  2.29838334263382 Angstroms
sigma value = 89


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

Energy: 2.0320414781310285
Energy: 0.9089060338895207
Energy: 0.909484344548058
Energy: 0.9079816925869533
Energy: 1.5948336243803851
Energy: 0.9865638035412987
Energy: 0.9127518860788073
Energy: 0.9865638035412987
Energy: 0.907738913690394
Energy: 0.9865632478532912
Energy: 0.9150105449717041
Energy: 0.9865632478532912
Energy: 0.904664723913396
Energy: 0.9869596849542582
Energy: 0.9107284562960367
Energy: 0.9869596849542582
Energy: 0.9079500647169959
Energy: 0.9062445067608037
Energy: 1.261773730079878
Energy: 0.9062445067608037
Energy: 0.9056894949649611
Energy: 0.9061420565204035
Energy: 1.2612106838737718
Energy: 0.9061420565204035
Energy: 0.904846081450284
Energy: 0.9059783957699226
Energy: 0.9105930351902336
Energy: 0.9059783957699226
Energy: 0.9075401326510705
Energy: 0.9064560552048347
Energy: 1.5920503019203285
Energy: 0.9064560552048347
Energy: 0.9126476182768831
Energy: 0.9061924474074765
Energy: 1.5960996920108772
Energy: 0.9061924474074765
Energy: 1.2565157340329354
Energy: 0.9876330776442532
Energy: 0.9092443376936882
Energy: 0.9876330776459579
Energy: 0.9128483054472732
Energy: 0.9886388429091397
Energy: 0.9050676179830116
Energy: 0.9886388429108443
Energy: 1.260135717269563
Energy: 0.9058804769058202
Energy: 0.9084344671524185
Energy: 0.9058804769058202
Energy: 1.262638329930493
Energy: 0.9060888648558748
Energy: 0.9068053202967892
Energy: 0.9060888648575793
Energy: 0.9098777241442345
Energy: 0.9057376784652766
Energy: 0.9052294776977285
Energy: 0.9057376784652766
Energy: 1.589317317391692
Energy: 0.9065936253967595
Energy: 0.9063509819051657
Energy: 0.9065936253967595

minimum gb energy = 0.904664723913396 eV
minimum distance =  2.29145928594904 Angstroms
sigma value = 13


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

Energy: 1.4826391130301437
Energy: 0.8315235561095669
Energy: 1.1072018268335093
Energy: 0.8414219386252692
Energy: 1.4672295173223722
Energy: 0.8391905049181612
Energy: 1.0129382170463253
Energy: 0.83919050491959
Energy: 1.4673650514793726
Energy: 0.8372926399007665
Energy: 1.0075090568923688
Energy: 0.8372926399029099
Energy: 1.1909632189097599
Energy: 0.8395438416602218
Energy: 1.1657744079958747
Energy: 0.8395438416602218
Energy: 1.1669571298188637
Energy: 0.8377758424432615
Energy: 1.3215503964297797
Energy: 0.8377758424461194
Energy: 1.009313940408542
Energy: 0.8385635583687014
Energy: 1.3197934091809118
Energy: 0.8385635583722737
Energy: 1.0093229777297794
Energy: 0.8373770954304853
Energy: 1.1634952682284123
Energy: 0.8373770954311348
Energy: 1.0115343311164244
Energy: 0.8377575834576919
Energy: 1.6231180122618092
Energy: 0.8377575834548341
Energy: 0.8366412153551488
Energy: 0.8420029395032521
Energy: 1.4512998702787063
Energy: 0.8420029395082532
Energy: 0.835810654059232
Energy: 0.8368396388458306
Energy: 1.3238983799291688
Energy: 0.8368396388458306
Energy: 0.8384867153783597
Energy: 0.8416959395109679
Energy: 1.4810148219865258
Energy: 0.8416959395095388
Energy: 1.3196426890769997
Energy: 0.8839953612944569
Energy: 1.1689873893692004
Energy: 0.8839953612966004
Energy: 1.323113670356767
Energy: 0.8814435262522536
Energy: 1.3181497708410572
Energy: 0.8814435262501102
Energy: 1.3235938998525318
Energy: 0.8849244666531068
Energy: 1.1887919519884471
Energy: 0.8849244666538212
Energy: 1.6190073003079548
Energy: 0.8403254739542138
Energy: 1.1652426208275293
Energy: 0.8403254739534993
Energy: 1.6167494183391793
Energy: 0.8380858663522227
Energy: 0.842383664418981
Energy: 0.838085866355795
Energy: 1.4427010390549355
Energy: 0.837056007597891
Energy: 0.8400295908144613
Energy: 0.837056007597891
Energy: 1.477590608546181
Energy: 0.8385630479574463
Energy: 0.8379569957057932
Energy: 0.8385630479567318
Energy: 1.7574199141950748
Energy: 0.8413223396209193
Energy: 1.0056996083989018
Energy: 0.8413223396216338
Energy: 1.3247550312742624
Energy: 0.8365683429165148
Energy: 1.0165199074742983
Energy: 0.8365683429158003
Energy: 1.193402575526573
Energy: 0.8385723373892255
Energy: 1.0081094915696533
Energy: 0.8385723373849387
Energy: 1.3263941356352211
Energy: 0.8362051958534978
Energy: 1.319779100295422
Energy: 0.8362051958549268
Energy: 1.012217641237748
Energy: 0.8399501268455003
Energy: 1.3217219250398438
Energy: 0.8399501268419279
Energy: 0.8428707387503919
Energy: 0.8366998080718206
Energy: 1.165397454864403
Energy: 0.8366998080703916
Energy: 1.0091337379130394
Energy: 0.8377023533620408
Energy: 1.6207313584100456
Energy: 0.8377023533598974
Energy: 0.8368079658648332
Energy: 0.8366573275390482
Energy: 1.6176111600269178
Energy: 0.8366573275404772
Energy: 0.8364261098938159
Energy: 0.8360600690557307
Energy: 1.3235714689511866
Energy: 0.8360600690578742
Energy: 0.8440628290868399
Energy: 0.8406477086832305
Energy: 1.4771002890971607
Energy: 0.8406477086846594
Energy: 1.31807253936046
Energy: 0.8369479892474939
Energy: 1.1842440121278317
Energy: 0.8369479892482082
Energy: 1.0189620632433747
Energy: 0.8846156978414136
Energy: 1.3183258142796217
Energy: 0.8846156978400496
Energy: 1.3201203947665427
Energy: 0.8874423259325512
Energy: 1.1758849568151641
Energy: 0.8874423259325512
Energy: 1.6155731244421985
Energy: 0.8379004884400003
Energy: 1.1647941388909229
Energy: 0.8379004884385716
Energy: 1.6181559665924283
Energy: 0.8402824169331584
Energy: 0.8388876201807245
Energy: 0.840282416932444
Energy: 1.4445407186829204
Energy: 0.83620337443157
Energy: 0.8357240898618408
Energy: 0.8362033744322844
Energy: 1.7628624826384998
Energy: 0.8378524300858301
Energy: 0.8391902291729944
Energy: 0.8378524300823227

minimum gb energy = 0.8315235561095669 eV
minimum distance =  2.28895409612333 Angstroms
sigma value = 37


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

Energy: 1.4587359056105214
Energy: 0.7437512340562962
Energy: 0.7459936185778956
Energy: 0.7440072654992954
Energy: 1.4507997012939253
Energy: 0.7435236630504911
Energy: 1.0385998945596697
Energy: 0.7435236630504911
Energy: 1.4417596992454405
Energy: 0.7426429512761866
Energy: 1.0372562127213012
Energy: 0.7426429512761866
Energy: 1.4412654724311456
Energy: 0.8301623894856882
Energy: 1.177692196757467
Energy: 0.8301623894856882
Energy: 1.3214033576046738
Energy: 0.7356339594868698
Energy: 1.1853552160458631
Energy: 0.7356339594905574
Energy: 0.8934731659475964
Energy: 0.7355305106753413
Energy: 1.4351551740117674
Energy: 0.7355305106753413
Energy: 0.8928033062689068
Energy: 0.7349861404257336
Energy: 1.312134962459622
Energy: 0.7349861404257336
Energy: 1.0303529506117701
Energy: 0.7326780290713872
Energy: 1.692848705799953
Energy: 0.7326780290726165
Energy: 0.8826458425078642
Energy: 0.7328315524418328
Energy: 1.6964484230407495
Energy: 0.7328315524418328
Energy: 0.882490858092984
Energy: 0.7305047633463585
Energy: 1.3096344551516876
Energy: 0.7305047633463585
Energy: 0.8776600483265425
Energy: 0.8815591854714183
Energy: 1.3233688373540133
Energy: 0.8815591854701891
Energy: 1.1721105530782794
Energy: 0.7304613956484227
Energy: 1.309038250698109
Energy: 0.7304613956496518
Energy: 1.1733545127037477
Energy: 0.7300542453423408
Energy: 1.4420884909668032
Energy: 0.7300542453423408
Energy: 1.320387168339212
Energy: 0.816283777539718
Energy: 1.4411663779923243
Energy: 0.816283777539718
Energy: 1.1853552160458631
Energy: 0.8194979035054142
Energy: 1.3121503695268473
Energy: 0.8194979035066433
Energy: 1.4351551740129966
Energy: 0.8192868288277508
Energy: 0.8870451894749657
Energy: 0.8192868288277508
Energy: 1.3218079627215091
Energy: 1.0015352787401617
Energy: 0.8926687675115508
Energy: 1.0015352787401617
Energy: 1.692848705802411
Energy: 0.7475591886378428
Energy: 0.8887216353056603
Energy: 0.7475591886366135
Energy: 1.6964484230407495
Energy: 0.7462720092515283
Energy: 0.7427533798506208
Energy: 0.7462720092527574
Energy: 1.5587729343832122
Energy: 0.7443463230624355
Energy: 0.7442018629311583
Energy: 0.7443463230624355

minimum gb energy = 0.7300542453423408 eV
minimum distance =  2.28660901497089 Angstroms
sigma value = 25


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

Energy: 1.539565352954379
Energy: 0.6453701044224117
Energy: 0.928843546260716
Energy: 0.6374724821149763
Energy: 1.5366958599641303
Energy: 0.6350993089300507
Energy: 0.8744327143400392
Energy: 0.6350993089300507
Energy: 1.527548853632128
Energy: 0.6347464975535905
Energy: 0.8755425423931675
Energy: 0.6347464975545503
Energy: 1.1179064947636939
Energy: 0.63837199059843
Energy: 1.1177960663202893
Energy: 0.63837199059843
Energy: 1.533135653359358
Energy: 0.9456023950855145
Energy: 1.3224436637281376
Energy: 0.9456023950864743
Energy: 1.1115889057054718
Energy: 0.7002760922844083
Energy: 1.3207303604827343
Energy: 0.7002760922844083
Energy: 1.114306994672375
Energy: 0.9453521892546902
Energy: 1.5328085844815151
Energy: 0.9453521892546902
Energy: 1.117884827196229
Energy: 0.6373726631845532
Energy: 1.327677155341658
Energy: 0.6373726631835932
Energy: 0.8755110537424475
Energy: 0.6345646469081879
Energy: 1.5372394083088428
Energy: 0.6345646469081879
Energy: 0.8759847804994723
Energy: 0.6352476840174889
Energy: 1.5347096267572398
Energy: 0.6352476840165291
Energy: 0.6396082903363282
Energy: 0.6384889101045692
Energy: 1.330501441222832
Energy: 0.6384889101055289
Energy: 0.6357579753063747
Energy: 0.6356994595541047
Energy: 1.5346382359793915
Energy: 0.6356994595550647
Energy: 0.6350326013601092
Energy: 0.6369404760673183
Energy: 1.5282551753514804
Energy: 0.6369404760653986
Energy: 0.8794393087021711
Energy: 0.6395626538042702
Energy: 1.5357260757839615
Energy: 0.6395626538033102
Energy: 0.875488702781731
Energy: 0.6346344478653309
Energy: 1.532963635465632
Energy: 0.634634447863411
Energy: 0.877544316818714
Energy: 0.6355783195425398
Energy: 1.5307247423625667
Energy: 0.63557831954158
Energy: 1.322252915016508
Energy: 0.6374124690612412
Energy: 1.5332565637154112
Energy: 0.6374124690612412
Energy: 0.8788531820659338
Energy: 0.702571554257738
Energy: 1.3259823054045623
Energy: 0.702571554257738
Energy: 1.3196990468874845
Energy: 0.7017874233752766
Energy: 1.1136836064001725
Energy: 0.7017874233743167
Energy: 1.5353278364093594
Energy: 0.9450703084721139
Energy: 1.1127798714763197
Energy: 0.9450703084730737
Energy: 1.3288704449820012
Energy: 0.6380133155230946
Energy: 0.8778397264150613
Energy: 0.6380133155230946
Energy: 1.5341089582992968
Energy: 0.634175453164816
Energy: 0.6361739662040334
Energy: 0.634175453163856
Energy: 1.7361578924524208
Energy: 0.636324859904974
Energy: 0.8745762168359357
Energy: 0.6363248599059338
Energy: 1.3287457369329287
Energy: 0.6395140609550531
Energy: 0.6381738329958142
Energy: 0.6395140609550531
Energy: 1.532776691651223
Energy: 0.6346744204275911
Energy: 0.6341844943233614
Energy: 0.6346744204275911
Energy: 1.5314949072925164
Energy: 0.6359277814854176
Energy: 0.6373758531915626
Energy: 0.6359277814863776

minimum gb energy = 0.634175453163856 eV
minimum distance =  2.30105678526587 Angstroms
sigma value = 41


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

Energy: 1.6819439475962759
Energy: 0.580710108475752
Energy: 0.8842792391188816
Energy: 0.5802002390809394
Energy: 1.6800719044932795
Energy: 0.5725199481543265
Energy: 0.7705836528723655
Energy: 0.5725199481543265
Energy: 1.6714090238189265
Energy: 0.5702877459126614
Energy: 0.7731697871557248
Energy: 0.5702877459126614
Energy: 1.3255627228252447
Energy: 0.5740946287360619
Energy: 1.1505385707692712
Energy: 0.5740946287368488
Energy: 1.6741247304191171
Energy: 0.5692043055034494
Energy: 1.1475863417494627
Energy: 0.5692043055018755
Energy: 1.3183105249068676
Energy: 0.8521274862385831
Energy: 1.1441086908229197
Energy: 0.8521274862370093
Energy: 1.3227731070869966
Energy: 0.6250688025779086
Energy: 1.4956333344183232
Energy: 0.6250688025779086
Energy: 1.323326514306683
Energy: 0.6274226745984596
Energy: 1.151547720116901
Energy: 0.6274226745968858
Energy: 0.9720958436818523
Energy: 0.5696108803194629
Energy: 1.4941139606429137
Energy: 0.5696108803186761
Energy: 0.9708660057685882
Energy: 0.5691884366233004
Energy: 1.676409536066497
Energy: 0.5691884366193658
Energy: 0.7768503108559177
Energy: 0.5764663319165009
Energy: 1.5047294510856402
Energy: 0.5764663319180747
Energy: 0.7725838277605694
Energy: 0.5694247961055576
Energy: 1.6758390076983443
Energy: 0.569424796103197
Energy: 0.7717951806585306
Energy: 0.5729863599458916
Energy: 1.8466260866305104
Energy: 0.5729863599466786
Energy: 0.5753303630805968
Energy: 0.5762018159015275
Energy: 1.5040428385643114
Energy: 0.5762018159015275
Energy: 0.5700228714008424
Energy: 0.569634007692778
Energy: 1.6750728389025749
Energy: 0.5696340076935651
Energy: 0.5741810490205432
Energy: 0.5718762602843924
Energy: 1.6754503245851944
Energy: 0.5718762602843924
Energy: 0.7753268032272159
Energy: 0.5730297857433361
Energy: 1.6783085190528229
Energy: 0.5730297857409755
Energy: 0.7747613410919093
Energy: 0.570866626036318
Energy: 1.676096097494168
Energy: 0.570866626036318
Energy: 0.7728341528534355
Energy: 0.5720656480287605
Energy: 1.3217131046811772
Energy: 0.5720656480295474
Energy: 1.1459260896865335
Energy: 0.5705056444177649
Energy: 1.3208968509599772
Energy: 0.5705056444177649
Energy: 1.1505880327983973
Energy: 0.5698226043177396
Energy: 1.4955267052985481
Energy: 0.5698226043145918
Energy: 1.1460779266597174
Energy: 0.6275543091689203
Energy: 1.3248705817635982
Energy: 0.6275543091689203
Energy: 1.4946613443418941
Energy: 0.6233658534618011
Energy: 1.3174421561986451
Energy: 0.6233658534625881
Energy: 1.1498247586704338
Energy: 0.6284904661470564
Energy: 1.1461123095468417
Energy: 0.6284904661470564
Energy: 1.4962322893386188
Energy: 0.5746093305375332
Energy: 0.9780410848775376
Energy: 0.5746093305320248
Energy: 1.4973533995552546
Energy: 0.5705091784858051
Energy: 1.1449428142671638
Energy: 0.5705091784810836
Energy: 1.4998444056189761
Energy: 0.5724104215396284
Energy: 0.7768271818937394
Energy: 0.5724104215396284
Energy: 1.6748672703658731
Energy: 0.5698887918818317
Energy: 0.7736584167020678
Energy: 0.5698887918818317
Energy: 1.5003874443238774
Energy: 0.5740583952717732
Energy: 0.7747622270787393
Energy: 0.5740583952709862
Energy: 1.4988050047233765
Energy: 0.572000943341314
Energy: 0.5747200999431704
Energy: 0.5720009433397403
Energy: 1.6746507470732426
Energy: 0.5693085236026573
Energy: 0.5705686196401812
Energy: 0.5693085236026573
Energy: 1.680409826173553
Energy: 0.5756605909072339
Energy: 0.5762363991942052
Energy: 0.57566059090566

minimum gb energy = 0.5691884366193658 eV
minimum distance =  2.30331603154887 Angstroms
sigma value = 15


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

Energy: 1.4775393205060088
Energy: 0.531509903360905
Energy: 0.8489783733268581
Energy: 0.5322311034257734
Energy: 1.7789462635847224
Energy: 0.5229838169563814
Energy: 0.7027041622290903
Energy: 0.522983816957048
Energy: 1.7716117857863594
Energy: 0.5229733387375503
Energy: 0.6968017974740588
Energy: 0.5229733387388836
Energy: 1.474703609595473
Energy: 0.5264250276198983
Energy: 1.0221156698431526
Energy: 0.5264250276218981
Energy: 1.7744384317218311
Energy: 0.519875393797415
Energy: 1.0171593005330868
Energy: 0.5198753937960816
Energy: 1.4673825868513681
Energy: 0.521153138914192
Energy: 1.014242018773034
Energy: 0.5211531389115255
Energy: 1.1674526238359237
Energy: 0.7846108642020158
Energy: 1.31611843058687
Energy: 0.7846108642026823
Energy: 1.4709382776912667
Energy: 0.5711554082885703
Energy: 1.0212107366184957
Energy: 0.5711554082752376
Energy: 1.164035834367184
Energy: 0.5712495447311169
Energy: 1.3133545641569615
Energy: 0.5712495447384499
Energy: 1.163099158163799
Energy: 0.7845876997219822
Energy: 1.6176332042647286
Energy: 0.7845876997419811
Energy: 1.0221460346441578
Energy: 0.5231799320597768
Energy: 1.3247904300717543
Energy: 0.5231799320417776
Energy: 0.8693497095441027
Energy: 0.5201436624367248
Energy: 1.6174914115791843
Energy: 0.5201436624333916
Energy: 1.0160286617795808
Energy: 0.5208752033405807
Energy: 1.6186664538039688
Energy: 0.5208752033419138
Energy: 0.7036254602857882
Energy: 0.5264008126994217
Energy: 1.3211816341981388
Energy: 0.5264008127000883
Energy: 0.6977513594835406
Energy: 0.5215190710854781
Energy: 1.7744341059036395
Energy: 0.5215190710834783
Energy: 0.6967071397163588
Energy: 0.5237208070273612
Energy: 1.6230858647190807
Energy: 0.5237208070273612
Energy: 0.526617163515697
Energy: 0.5246586539874406
Energy: 1.625390008757893
Energy: 0.524658653986774
Energy: 0.5211079877994185
Energy: 0.5219646238852712
Energy: 1.7743827423666392
Energy: 0.5219646238852712
Energy: 0.527263640444466
Energy: 0.5241899600707556
Energy: 1.4723671234953326
Energy: 0.5241899600700889
Energy: 0.6983160951374657
Energy: 0.5244257274045224
Energy: 1.776824474021457
Energy: 0.5244257274031892
Energy: 0.6968562479690278
Energy: 0.5217446770811099
Energy: 1.7739631951322563
Energy: 0.5217446770791101
Energy: 0.6991536963342874
Energy: 0.5258969744415173
Energy: 1.47360443568476
Energy: 0.5258969744415173
Energy: 1.0147240835895914
Energy: 0.5209617967243273
Energy: 1.4660730236863961
Energy: 0.5209617967223275
Energy: 1.0189179408845135
Energy: 0.5206820204373107
Energy: 1.6202873508113549
Energy: 0.5206820204746421
Energy: 1.0204644634946478
Energy: 0.527123595988862
Energy: 1.1704712814787819
Energy: 0.5271235959921952
Energy: 1.3151562235643917
Energy: 0.7837153250797508
Energy: 1.6199692381039819
Energy: 0.7837153250837506
Energy: 1.0173450432377518
Energy: 1.0131865025339473
Energy: 1.3160466665229449
Energy: 1.0131865025339473
Energy: 1.3205155197336824
Energy: 0.7868290257790619
Energy: 1.1704825844508318
Energy: 0.7868290257783953
Energy: 1.3192158288590574
Energy: 0.7842410483655894
Energy: 1.3168893879921562
Energy: 0.7842410483649228
Energy: 1.3156454556736485
Energy: 0.5213310625877663
Energy: 1.016748189138255
Energy: 0.5213310625964325
Energy: 1.6260736229638688
Energy: 0.520200626307729
Energy: 0.8696194552340842
Energy: 0.5202006263070623
Energy: 1.3215388189452644
Energy: 0.5257105070379752
Energy: 1.0204476312613
Energy: 0.5257105070366419
Energy: 1.6191729421040921
Energy: 0.5219535743540843
Energy: 0.6966093418463798
Energy: 0.5219535743540843
Energy: 1.7764393500277735
Energy: 0.5225124201483634
Energy: 0.6961251998604231
Energy: 0.52251242014903
Energy: 1.62964069618227
Energy: 0.5301240392600084
Energy: 0.7028891059778531
Energy: 0.5301240392600084
Energy: 1.7760858005136324
Energy: 0.5231956577011945
Energy: 0.5238335468085447
Energy: 0.5231956577011945
Energy: 1.771369823280494
Energy: 0.5230764032652312
Energy: 0.5226897716673835
Energy: 0.5230764032658978

minimum gb energy = 0.5198753937960816 eV
minimum distance =  2.30328656336339 Angstroms
sigma value = 85


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

Energy: 1.5722384250780972
Energy: 0.45332586397115177
Energy: 0.4521728566713191
Energy: 0.4515777817896613
Energy: 1.8227580938575045
Energy: 0.4524000304383001
Energy: 0.6097139528220905
Energy: 0.4524000304371438
Energy: 1.561036193437608
Energy: 0.45138577546130815
Energy: 0.6094196265719185
Energy: 0.45138577546246444
Energy: 1.2903542963220018
Energy: 0.45569280452907457
Energy: 0.9012683825097605
Energy: 0.45569280452271466
Energy: 1.6892438686935074
Energy: 0.4532202711232907
Energy: 0.8980619146252729
Energy: 0.45322027112444707
Energy: 1.2913344655448304
Energy: 0.4524201147310286
Energy: 0.8961647921029018
Energy: 0.4524201147310286
Energy: 1.2948885050613461
Energy: 0.4531960460084602
Energy: 1.163096759354651
Energy: 0.45319604600383484
Energy: 1.4284268110616614
Energy: 0.4517557123240321
Energy: 0.8933722982557776
Energy: 0.4517557125650243
Energy: 1.2960315373387665
Energy: 0.9149688966348412
Energy: 1.1603466072505835
Energy: 0.9149688966354192
Energy: 1.2949463043988783
Energy: 0.9153219733341182
Energy: 1.4241267534538806
Energy: 0.9153219733341182
Energy: 1.164008106796401
Energy: 0.7093234268574656
Energy: 1.15845065776119
Energy: 0.7093234268580438
Energy: 1.0296935271599847
Energy: 0.45236884297779717
Energy: 1.4241366832672937
Energy: 0.4523688429893606
Energy: 1.160404645887919
Energy: 0.4526464055762068
Energy: 1.4270587442327565
Energy: 0.4526464055825667
Energy: 0.8991243145267082
Energy: 0.4537254866379449
Energy: 1.1561761598313287
Energy: 0.4537254866338977
Energy: 0.762183425790576
Energy: 0.4515678943315802
Energy: 1.6856629334666997
Energy: 0.45156789433273653
Energy: 0.897128066253899
Energy: 0.4530762265257853
Energy: 1.4271282812681139
Energy: 0.45307622652520707
Energy: 0.6130981888314686
Energy: 0.45416879252543696
Energy: 1.4282711352167474
Energy: 0.45416879252543696
Energy: 0.6106849085093574
Energy: 0.4512024177827303
Energy: 1.8144517887436158
Energy: 0.4512024177821521
Energy: 0.612150729198242
Energy: 0.45670592730383686
Energy: 1.6989042766905655
Energy: 0.45670592730383686
Energy: 0.4558866348258726
Energy: 0.45537530991207614
Energy: 1.6983383659742721
Energy: 0.4553753099126543
Energy: 0.45149914048148765
Energy: 0.4507214733114663
Energy: 1.8147691725351516
Energy: 0.45072147331204443
Energy: 0.4503864120551121
Energy: 0.4521083688235931
Energy: 1.558887879546231
Energy: 0.4521083688235931
Energy: 0.6089355367769137
Energy: 0.45289978145701193
Energy: 1.8261424562901882
Energy: 0.45289978145701193
Energy: 0.6094477049525615
Energy: 0.4510724467576905
Energy: 1.8161964429504622
Energy: 0.45107244675711233
Energy: 0.6079694514770458
Energy: 0.4512961262181566
Energy: 1.2860414483211857
Energy: 0.4512961262181566
Energy: 0.8965652874357966
Energy: 0.45198448486132264
Energy: 1.8179561412789287
Energy: 0.4519844848595881
Energy: 0.8976003387034052
Energy: 0.45186813232669154
Energy: 1.5576791477512038
Energy: 0.4518681323255352
Energy: 1.1647794648990977
Energy: 0.4544613332731136
Energy: 1.2904826645845666
Energy: 0.4544613332725354
Energy: 1.163706079040723
Energy: 0.4516773284113613
Energy: 1.5547301416140018
Energy: 0.4516773283426115
Energy: 1.1614026305698595
Energy: 0.9143562981707436
Energy: 1.2927069831658962
Energy: 0.9143562981707436
Energy: 1.4260398702287884
Energy: 0.5332407961904908
Energy: 1.0250101071004196
Energy: 0.5332407961922252
Energy: 1.1620969366643306
Energy: 0.532998734491275
Energy: 1.4262333095799011
Energy: 0.5329987344883841
Energy: 1.4249453409781547
Energy: 0.4516394087110202
Energy: 1.0255753382711132
Energy: 0.451639408706973
Energy: 1.6853155465967657
Energy: 0.45197991340007615
Energy: 1.0270016686719219
Energy: 0.4519799133971853
Energy: 1.1582283130606765
Energy: 0.45420792117962255
Energy: 1.0281902115319812
Energy: 0.45420792131948734
Energy: 1.6852723333827395
Energy: 0.45168248217787
Energy: 0.8978509196787632
Energy: 0.45168248218133905
Energy: 1.6912882101021225
Energy: 0.4521264840757987
Energy: 0.8961087219779303
Energy: 0.45212648407637684
Energy: 1.425399352383187
Energy: 0.4509101198832761
Energy: 0.6088555518886054
Energy: 0.4509101198832761
Energy: 1.815858893725871
Energy: 0.4506861024111976
Energy: 0.6100409106896255
Energy: 0.45068610241177576
Energy: 1.696600627437279
Energy: 0.45301880992995575
Energy: 0.6097940288255145
Energy: 0.453018809930534
Energy: 1.424569300887107
Energy: 0.45308711440141114
Energy: 0.45651713314485254
Energy: 0.453087114400833
Energy: 1.814743693077114
Energy: 0.45085026284512436
Energy: 0.45188754381976115
Energy: 0.45085026284685886
Energy: 1.562946021785579
Energy: 0.4559780969126452
Energy: 0.4560007197526882
Energy: 0.45597809691322333

minimum gb energy = 0.4503864120551121 eV
minimum distance =  2.29920869730382 Angstroms
sigma value = 113


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

Energy: 0.018552585401674846
Energy: 0.019135125811269048
Energy: 1.4371495235903178
Energy: 0.4581902929149573
Energy: 0.019329387067095867
Energy: 0.10865604274759313
Energy: 1.084945504919652
Energy: 0.10865604274630912
Energy: 0.019408375408389356
Energy: 0.11061042541283163
Energy: 1.0835302372483682
Energy: 0.11061042541283163
Energy: 0.020311009677477163
Energy: 0.11219755562934966
Energy: 1.087657753418744
Energy: 0.11219755562934966
Energy: 1.0935127826127211
Energy: 0.11054456630757444
Energy: 1.0864810275371375
Energy: 0.11054456630757444
Energy: 0.02624938711668164
Energy: 0.10801449520967651
Energy: 1.0848602633953877
Energy: 0.10801449520967651

minimum gb energy = 0.018552585401674846 eV
minimum distance =  2.51700086546334 Angstroms
sigma value = 1