Model name: model_name=MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917419314393
cohesive_energy=4.450349978305028
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018146484064521178
Energy: 0.018375339064933015
Energy: 1.6582587776040112
Energy: 0.018375339064933015
Energy: 0.018375339065557297
Energy: 1.4517798093100722
Energy: 0.018375339065557297
Energy: 1.4517798093100722
Energy: 1.6582587776033502
Energy: 0.018375339064933015
Energy: 0.018146484064521178
Energy: 0.018375339065557297
Energy: 0.018375339064933015
Energy: 1.4517798093100722
Energy: 0.018375339064933015
Energy: 1.4517798093100722

minimum gb energy = 0.018146484064521178 eV
minimum distance =  2.41577135029407 Angstroms
sigma value = 1


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

Energy: 1.4473537583252514
Energy: 1.4536161747246505
Energy: 1.389130301655865
Energy: 1.4536161747254521
Energy: 1.415730170514662
Energy: 1.4601418179931405
Energy: 1.4185759496526167
Energy: 1.4601418179931405
Energy: 1.3579790651723402
Energy: 1.4369840413021344
Energy: 1.3900996460082196
Energy: 1.436984041302936
Energy: 1.3962199075796613
Energy: 1.4534156825753288
Energy: 1.3733496774613119
Energy: 1.4534156825761304
Energy: 1.380385442657268
Energy: 1.4598817184916837
Energy: 1.4006706370477644
Energy: 1.4598817184916837
Energy: 1.3573460992373412
Energy: 1.6531953219184006
Energy: 1.3422726541705716
Energy: 1.6531953219184006
Energy: 1.4199619507490757
Energy: 1.4360246576765343
Energy: 1.3588812350314203
Energy: 1.4360246576765343
Energy: 1.2745470471253053
Energy: 1.463027544268297
Energy: 1.3394285663124899
Energy: 1.4630275442690988
Energy: 1.373397265874452
Energy: 1.6929594442533722
Energy: 1.428781200158268
Energy: 1.6929594442549756
Energy: 1.3530858527034115
Energy: 1.4354958388243284
Energy: 1.2650050398904344
Energy: 1.4354958388235266
Energy: 1.4332431475598557
Energy: 1.449025512888335
Energy: 1.3734507019479354
Energy: 1.4490255128899383
Energy: 1.3964669734781525
Energy: 1.4633584870995884
Energy: 1.3699150576730703
Energy: 1.4633584870995884
Energy: 1.4157091562508899
Energy: 1.430437049663262
Energy: 1.4445985922738116
Energy: 1.4304370496640635
Energy: 1.3966304338829998
Energy: 1.4467605641791086
Energy: 1.3664606636327452
Energy: 1.446760564178307
Energy: 1.3966411599829054
Energy: 1.453877885245134
Energy: 1.3901730160219006
Energy: 1.4538778852435306
Energy: 1.3967886035016615
Energy: 1.4536563761340986
Energy: 1.4155586727785345
Energy: 1.4536563761340986
Energy: 1.389999575170547
Energy: 1.4368739650439224
Energy: 1.3197928411590618
Energy: 1.436873965044724
Energy: 1.4186509703216716
Energy: 1.4360532292373844
Energy: 1.4408046766212288
Energy: 1.4360532292365826
Energy: 1.3058788022689145
Energy: 1.459392686464366
Energy: 1.362138323324255
Energy: 1.4593926864651678
Energy: 1.441906974933044
Energy: 1.91620100711608
Energy: 1.3763169184237933
Energy: 1.91620100711608
Energy: 1.3411318982817593
Energy: 1.437028862774777
Energy: 1.288936742886744
Energy: 1.4370288627755783
Energy: 1.3731555643850504
Energy: 1.6423820557925775
Energy: 1.4170668931104644
Energy: 1.6423820557917757
Energy: 1.3984201533972884
Energy: 1.4600814022791948
Energy: 1.3271667622454302
Energy: 1.4600814022791948
Energy: 1.3813037115924376
Energy: 1.4372856551847344
Energy: 1.3568617044314553
Energy: 1.4372856551831312
Energy: 1.3584985692948994
Energy: 1.6506055462586553
Energy: 1.4198023130049975
Energy: 1.6506055462586553
Energy: 1.3830147165563862
Energy: 1.4629405375264515
Energy: 1.3458485091154855
Energy: 1.462940537527253
Energy: 1.4050309020069325
Energy: 1.6424021074624322
Energy: 1.373332110927878
Energy: 1.6424021074624322
Energy: 1.338079394525249
Energy: 1.4328147701929346
Energy: 1.39215313214578
Energy: 1.4328147701921328
Energy: 1.4145998670443631
Energy: 1.4531345218546934
Energy: 1.4081246329434605
Energy: 1.4531345218546934
Energy: 1.5314198508933645
Energy: 1.4549192301889466
Energy: 1.4020621761195746
Energy: 1.4549192301897482
Energy: 1.4197608902638628
Energy: 1.4441259826777288
Energy: 1.4154188651172408
Energy: 1.4441259826785302
Energy: 1.3939059314480027
Energy: 1.4325600884182184
Energy: 1.3970214809782133
Energy: 1.4325600884182184
Energy: 1.380680673050914
Energy: 1.477467100573678
Energy: 1.3762232165579338
Energy: 1.4774671005744795

minimum gb energy = 1.2650050398904344 eV
minimum distance =  2.23587423718345 Angstroms
sigma value = 1


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

Energy: 1.732245801137446
Energy: 1.5583199718202358
Energy: 1.4939502632306656
Energy: 1.55831997182115
Energy: 1.458466964734385
Energy: 1.533045652969114
Energy: 1.4765657434445076
Energy: 1.533045652969114
Energy: 1.4022444937006942
Energy: 1.5616320605283747
Energy: 1.4510723041382116
Energy: 1.5616320605274607
Energy: 1.422379185420093
Energy: 1.4630433215227743
Energy: 1.4011294583824205
Energy: 1.4630433215218603
Energy: 1.4224915731557695
Energy: 1.5272322253043435
Energy: 1.4406156936208323
Energy: 1.5272322253043435
Energy: 1.4865677036092686
Energy: 1.527014934978385
Energy: 1.4434620305804167
Energy: 1.527014934977471
Energy: 1.4644607341226292
Energy: 1.6491323885490032
Energy: 1.39390478728478
Energy: 1.649132388548089
Energy: 1.3161612621531893
Energy: 1.5616183682242113
Energy: 1.3922147658399873
Energy: 1.5616183682251252
Energy: 1.41654913882488
Energy: 2.0367675114100954
Energy: 1.502245715890333
Energy: 2.036767511409181
Energy: 1.4414523270690458
Energy: 1.5617249019398767
Energy: 1.381488422688377
Energy: 1.5617249019389627
Energy: 1.4641736475367269
Energy: 1.5088106026530823
Energy: 1.476767048055669
Energy: 1.5088106026521684
Energy: 1.3672452978158416
Energy: 1.5403578878495556
Energy: 1.454035381098295
Energy: 1.5403578878513837
Energy: 1.5113450479434165
Energy: 1.5218493622020246
Energy: 1.4503354304714304
Energy: 1.5218493622029388
Energy: 1.4771853699277593
Energy: 1.5221136554056196
Energy: 1.4501475707778317
Energy: 1.5221136554065335
Energy: 1.3673191121076063
Energy: 1.5405005330503159
Energy: 1.4464431179887856
Energy: 1.5405005330494017
Energy: 1.4643252697399955
Energy: 1.508828051917275
Energy: 1.4765865909067333
Energy: 1.508828051919103
Energy: 1.4414551455624514
Energy: 1.561718131741035
Energy: 1.4027870605727406
Energy: 1.5617181317437772
Energy: 1.416356569038227
Energy: 2.036510013605857
Energy: 1.502101469916635
Energy: 2.0365100136049437
Energy: 1.3162120005234044
Energy: 1.5616572142059648
Energy: 1.3944122388149827
Energy: 1.5616572142059648
Energy: 1.464782472763847
Energy: 1.648943957881343
Energy: 1.3957725498878009
Energy: 1.6489439578795149
Energy: 1.4866903396447082
Energy: 1.5267097958549403
Energy: 1.4327381725791006
Energy: 1.5267097958558544
Energy: 1.4225455194124865
Energy: 1.5268276615199923
Energy: 1.4613974790782014
Energy: 1.52682766151725
Energy: 1.422294212231217
Energy: 1.4631440777699851
Energy: 1.4212083243025904
Energy: 1.463144077768157
Energy: 1.4020832114283206
Energy: 1.5618483964842511
Energy: 1.4560277494745504
Energy: 1.5618483964833372
Energy: 1.4583731226101468
Energy: 1.5330277136103896
Energy: 1.476334123506711
Energy: 1.5330277136113037
Energy: 1.732245801137446
Energy: 1.5583199718202358
Energy: 1.4939502547887669
Energy: 1.55831997182115
Energy: 1.458466964734385
Energy: 1.5330456529700278
Energy: 1.4765657434445076
Energy: 1.533045652969114
Energy: 1.4022444937006942
Energy: 1.5616320605283747
Energy: 1.460203784841723
Energy: 1.5616320605274607
Energy: 1.422379185420093
Energy: 1.4630433215227743
Energy: 1.4011294583815066
Energy: 1.4630433215227743

minimum gb energy = 1.3161612621531893 eV
minimum distance =  2.20330828194828 Angstroms
sigma value = 25


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

Energy: 1.5567081437603407
Energy: 1.6250160153745272
Energy: 1.5783340703743807
Energy: 1.6250160153745272
Energy: 1.5537535782244767
Energy: 1.5943285565524494
Energy: 1.5022902442401243
Energy: 1.5943285565524494
Energy: 1.4749355579497043
Energy: 1.6864338150902154
Energy: 1.5057354796609101
Energy: 1.6864338150902154
Energy: 1.496481523355831
Energy: 1.5458369236038774
Energy: 1.4518758431697214
Energy: 1.5458369236038774
Energy: 1.4533509428192857
Energy: 1.631247076910094
Energy: 1.5392194729759092
Energy: 1.631247076910094
Energy: 1.575045813385941
Energy: 1.6863813385731736
Energy: 1.7004876837089402
Energy: 1.686381338574236
Energy: 1.5602750666585192
Energy: 1.7633262032721493
Energy: 1.4985420358646837
Energy: 1.7633262032721493
Energy: 1.6304129174731103
Energy: 1.6310417461635154
Energy: 1.3953263269859377
Energy: 1.6310417461635154
Energy: 1.4979391919780103
Energy: 1.5753093107809069
Energy: 1.5518841118847435
Energy: 1.5753093107809069
Energy: 1.5248282629379357
Energy: 1.685958741228953
Energy: 1.4366777708580927
Energy: 1.685958741228953
Energy: 1.5342593751417954
Energy: 1.6247346182440896
Energy: 1.499672664169821
Energy: 1.624734618243027
Energy: 1.5004364921777618
Energy: 1.624613406579978
Energy: 1.4995944441867208
Energy: 1.624613406579978
Energy: 1.5055154128990902
Energy: 1.6166043505637129
Energy: 1.4368019247505637
Energy: 1.6166043505637129
Energy: 1.4985374552191022
Energy: 1.5811030469107876
Energy: 1.5599659905942314
Energy: 1.58110304691185
Energy: 1.4429118552949554
Energy: 1.6327952825973815
Energy: 1.392898709077935
Energy: 1.6327952825973815
Energy: 1.5539486020200572
Energy: 1.7637446981365297
Energy: 1.45501289054455
Energy: 1.7637446983011749
Energy: 1.3682831601524301
Energy: 1.6864965524666442
Energy: 1.3682736669228779
Energy: 1.6864965524655815
Energy: 1.4520172142679288
Energy: 1.5934034279081764
Energy: 1.5377546331725536
Energy: 1.5934034279092388
Energy: 1.4947509009830315
Energy: 1.6265251967976722
Energy: 1.4547377753492436
Energy: 1.6265251967976722
Energy: 1.582087818687407
Energy: 1.6860245226657289
Energy: 1.5064836093554432
Energy: 1.6860245226657289
Energy: 1.5156354363717717
Energy: 1.5860428097511636
Energy: 1.5001724073070186
Energy: 1.586042809750101
Energy: 1.5655221004906803
Energy: 1.625692674350535
Energy: 1.5691341703046957
Energy: 1.625692674350535
Energy: 1.5528991060228308
Energy: 1.6042736507925872
Energy: 1.5050814182193604
Energy: 1.6042736507925872
Energy: 1.4735165914190693
Energy: 1.6849718018507691
Energy: 1.524412665310611
Energy: 1.6849718018507691
Energy: 1.4994873578782102
Energy: 1.5464043136883094
Energy: 1.4518983952519273
Energy: 1.5464043136883094

minimum gb energy = 1.3682736669228779 eV
minimum distance =  2.20104223604716 Angstroms
sigma value = 9


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

Energy: 1.6587821817979456
Energy: 1.6598526214485811
Energy: 1.6364547953790425
Energy: 1.6598526214485811
Energy: 1.5498245971049007
Energy: 1.6922920162133595
Energy: 1.5638111668448451
Energy: 1.6922920162133595
Energy: 1.5501235134417788
Energy: 1.6161604664410647
Energy: 1.590947856485323
Energy: 1.6161604664322209
Energy: 1.8577180208240818
Energy: 1.604636011932383
Energy: 1.4725332314300599
Energy: 1.6046360119349183
Energy: 1.673978216855045
Energy: 1.68598771010297
Energy: 1.78235257840613
Energy: 1.6859877101042378
Energy: 1.4144345366773883
Energy: 1.704560844871355
Energy: 1.5977972984715434
Energy: 1.7045608448726224
Energy: 1.5751900579323532
Energy: 1.5965784775354608
Energy: 1.4730264723612208
Energy: 1.5965784775354608
Energy: 1.567681764235967
Energy: 1.704450915296309
Energy: 1.4582481634758047
Energy: 1.7044509152975762
Energy: 1.5759857523140341
Energy: 1.6924066572833727
Energy: 1.6549750208224134
Energy: 1.6924066572833727
Energy: 1.6006330570662959
Energy: 1.6585155928655306
Energy: 1.5973745597844766
Energy: 1.6585155928655306
Energy: 1.4965422601243306
Energy: 1.7015167229003783
Energy: 1.5832610022524385
Energy: 1.7015167229003783
Energy: 1.7089863547608724
Energy: 1.6664825599989435
Energy: 1.4726209615827792
Energy: 1.6664825599989435
Energy: 1.4141945642668357
Energy: 1.7027763981113613
Energy: 1.526147521529746
Energy: 1.702776398112629
Energy: 1.5694870740638174
Energy: 2.2836882641517713
Energy: 1.5629235577668428
Energy: 2.2836882641530387
Energy: 1.4142221468715055
Energy: 1.616154936424658
Energy: 1.5672627179498617
Energy: 1.6161549364259256
Energy: 1.709542954597025
Energy: 1.6664198434940576
Energy: 1.4726215377609537
Energy: 1.6664198434940576
Energy: 1.494872124812111
Energy: 1.7014364217807036
Energy: 1.5569571305018752
Energy: 1.7014364217819709
Energy: 1.6007667170638133
Energy: 1.6587664456679452
Energy: 1.5972459263973813
Energy: 1.6587664456692126
Energy: 1.5760052315680693
Energy: 1.6924490791839462
Energy: 1.6548909546652133
Energy: 1.6924490791826787
Energy: 1.5676565030971632
Energy: 1.7042767264904701
Energy: 1.4579192701036807
Energy: 1.7042767264917378
Energy: 1.575193512532105
Energy: 1.5967925152345817
Energy: 1.4730999820043447
Energy: 1.5967925152345817

minimum gb energy = 1.4141945642668357 eV
minimum distance =  2.24649850967634 Angstroms
sigma value = 25


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

Energy: 1.4969739236936481
Energy: 1.821575895415721
Energy: 1.786481361515925
Energy: 1.8215758954141532
Energy: 1.4638898663707323
Energy: 1.662428193256003
Energy: 1.4390716230387208
Energy: 1.6624281932544356
Energy: 1.663788038885149
Energy: 1.8456942033667585
Energy: 1.4392854250298313
Energy: 1.8456942033667585
Energy: 1.7230773415184133
Energy: 1.6532372555118289
Energy: 1.6549464119183015
Energy: 1.6532372555118289
Energy: 1.6524232005196438
Energy: 1.4631843113018062
Energy: 1.503938954796286
Energy: 1.4631843113018062
Energy: 1.4395639699380554
Energy: 1.8898536230336593
Energy: 1.6626590723949273
Energy: 1.8898536230336593
Energy: 1.5024129329153748
Energy: 1.6810734403999978
Energy: 1.663422060101284
Energy: 1.6810734403999978
Energy: 1.6609953404596092
Energy: 1.82554723526033
Energy: 1.5017874527884754
Energy: 1.82554723526033
Energy: 1.439366628748207
Energy: 1.662305466835226
Energy: 1.4650846060981126
Energy: 1.662305466835226
Energy: 1.7112379199131968
Energy: 1.7051124839434502
Energy: 1.6630299754238618
Energy: 1.7051124839434502
Energy: 1.5387108725133982
Energy: 1.8350555604399885
Energy: 1.8426449786847656
Energy: 1.8350555604399885
Energy: 1.4393454650668198
Energy: 1.6245722558713303
Energy: 1.7123347570282919
Energy: 1.6245722558728977
Energy: 1.6334773219897472
Energy: 1.845577879248623
Energy: 1.439123765669685
Energy: 1.8455778792470559
Energy: 1.439529190819179
Energy: 1.6813260260391751
Energy: 1.7244140448728258
Energy: 1.6813260260391751
Energy: 1.502288084026543
Energy: 1.8232262064978513
Energy: 1.8582284852904625
Energy: 1.8232262064978513
Energy: 1.4639580444306086
Energy: 1.6640944120090169
Energy: 1.4443831426952443
Energy: 1.6640944120105843
Energy: 1.4396296494899568
Energy: 1.5695150546312149
Energy: 1.7106393289604673
Energy: 1.5695150546312149

minimum gb energy = 1.4390716230387208 eV
minimum distance =  2.28752579522281 Angstroms
sigma value = 17


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

Energy: 1.687217507236505
Energy: 1.6968576608248844
Energy: 1.90133529405615
Energy: 1.69685766082666
Energy: 1.7201139097363507
Energy: 1.5706732745127134
Energy: 1.477367769374355
Energy: 1.5706732745136014
Energy: 1.8488177650793007
Energy: 1.8159696869658661
Energy: 1.4765209121114526
Energy: 1.8159696869649786
Energy: 1.6137020469169834
Energy: 1.8365171954353514
Energy: 1.6693014999131928
Energy: 1.8365171954344635
Energy: 1.7450938655550081
Energy: 1.743893263217249
Energy: 1.5835298547374344
Energy: 1.743893263217249
Energy: 1.5016837540176173
Energy: 1.6683690585248967
Energy: 1.6978107851903255
Energy: 1.668369058524009
Energy: 1.5750940284745492
Energy: 1.6579543621189217
Energy: 1.5757491871904128
Energy: 1.657954362118034
Energy: 1.693391149488527
Energy: 1.6684754275219311
Energy: 1.4994360758685072
Energy: 1.6684754275299212
Energy: 1.5028224963824137
Energy: 1.8346713572700692
Energy: 1.7121635245048668
Energy: 1.8346713572700692
Energy: 1.8468429311167016
Energy: 1.64022406133351
Energy: 1.4777774336863836
Energy: 1.640224061334398
Energy: 1.4826220065113536
Energy: 1.7111367728658216
Energy: 1.857572622233452
Energy: 1.7111367728658216
Energy: 1.5925590973153843
Energy: 1.6555362532051474
Energy: 1.5928938569216398
Energy: 1.6555362532051474
Energy: 1.7211360863954743
Energy: 1.6986431044669528
Energy: 1.6617204530664635
Energy: 1.698643104466065
Energy: 1.4767487499660774
Energy: 1.8483109857596984
Energy: 1.7082826162147913
Energy: 1.8483109857596984
Energy: 1.6294507083433587
Energy: 1.6576922161185852
Energy: 1.656499196746009
Energy: 1.6576922161185852
Energy: 1.7077427053651226
Energy: 1.6797234478697212
Energy: 1.692808077137379
Energy: 1.6797234478714969
Energy: 1.5752114246275501
Energy: 1.7297689949316037
Energy: 1.8681805388124335
Energy: 1.7297689949316037
Energy: 1.6653989197622443
Energy: 1.6787624672407369
Energy: 1.5023765484216722
Energy: 1.6787624672416244
Energy: 1.571416077075679
Energy: 1.7301450444523583
Energy: 1.7065958246460067
Energy: 1.7301450444514705
Energy: 1.5776969069573878
Energy: 1.8353832440270947
Energy: 1.6322084008361488
Energy: 1.835383244026207
Energy: 1.5786553716857257
Energy: 1.8155449905402365
Energy: 1.6896302166569808
Energy: 1.8155449905677579
Energy: 1.576927754699759
Energy: 1.767224308776952
Energy: 1.8409058998755272
Energy: 1.767224308776952
Energy: 1.688049493271523
Energy: 1.8317900297129524
Energy: 1.4764423262239752
Energy: 1.8317900297138403
Energy: 1.5943594066205427
Energy: 1.6575456831855278
Energy: 1.691732562940765
Energy: 1.6575456831855278
Energy: 1.6657027079497622
Energy: 1.815464622516482
Energy: 1.70725863814793
Energy: 1.815464622516482
Energy: 1.771317997204266
Energy: 1.8310945384072348
Energy: 1.4782826368783233
Energy: 1.831094538406347
Energy: 1.5781974654409563
Energy: 1.7803458373646808
Energy: 1.8863530567025555
Energy: 1.7803458373646808
Energy: 1.6976858521347995
Energy: 1.6801722917649733
Energy: 1.701976856383975
Energy: 1.6801722917649733
Energy: 1.8461525524935185
Energy: 1.8524113613493205
Energy: 1.579132041595787
Energy: 1.852411361348433
Energy: 1.499689030270052
Energy: 1.730927561888365
Energy: 1.6672667378610362
Energy: 1.730927561888365

minimum gb energy = 1.4764423262239752 eV
minimum distance =  2.17938680006313 Angstroms
sigma value = 53


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

Energy: 1.392285618731236
Energy: 1.391944030701249
Energy: 1.8447524594361546
Energy: 1.391944030701249
Energy: 1.703418215392898
Energy: 1.5685849705845578
Energy: 1.5218390073260775
Energy: 1.5685849705845578
Energy: 1.3932099976968855
Energy: 1.3916819731681058
Energy: 1.642248539248243
Energy: 1.3916819731681058
Energy: 1.3931103249408492
Energy: 1.3915886863616385
Energy: 1.5692143294465462
Energy: 1.3915886863616385
Energy: 1.7034626790329293
Energy: 1.5685505688165797
Energy: 1.702022450014548
Energy: 1.5685505688165797
Energy: 1.392285618731236
Energy: 1.391944030701249
Energy: 1.9630483972090884
Energy: 1.391944030701249
Energy: 1.7034182065327408
Energy: 1.5685849705845578
Energy: 1.7013505795119153
Energy: 1.5685849705845578
Energy: 1.3932099976968855
Energy: 1.3916819731681058
Energy: 1.64224854450057
Energy: 1.39168197317015
Energy: 1.3931103249428927
Energy: 1.3915886863616385
Energy: 1.7012977436650756
Energy: 1.3915886863636822
Energy: 1.70346259101348
Energy: 1.5685505688165797
Energy: 1.8138912816372295
Energy: 1.5685505688165797
Energy: 1.392285618731236
Energy: 1.391944030701249
Energy: 1.9630483972111323
Energy: 1.391944030701249
Energy: 1.7034181997011815
Energy: 1.5685849705845578
Energy: 1.7013505795119153
Energy: 1.5685849705866017
Energy: 1.3932099976968855
Energy: 1.3916819731681058
Energy: 1.6422485363329469
Energy: 1.3916819731681058

minimum gb energy = 1.3915886863616385 eV
minimum distance =  2.26579094656467 Angstroms
sigma value = 9


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

Energy: 1.5475912238347813
Energy: 1.8260251770235485
Energy: 1.9789863362713884
Energy: 1.826025177022792
Energy: 1.9075037397730552
Energy: 1.614374873235766
Energy: 1.5568319262456527
Energy: 1.6143748732350096
Energy: 1.5395552199903069
Energy: 1.5279860943711894
Energy: 1.571712569926493
Energy: 1.5279860943696761
Energy: 1.7595613648050168
Energy: 1.8840747357206575
Energy: 1.636656981720075
Energy: 1.884074735721414
Energy: 1.7630736674958407
Energy: 1.608371982737801
Energy: 1.5468454919529893
Energy: 1.608371982737801
Energy: 1.5275267894117461
Energy: 1.5270558834561365
Energy: 1.778968125155156
Energy: 1.5270558834568928
Energy: 2.052138796104834
Energy: 1.6004144257851092
Energy: 1.587320269365284
Energy: 1.6004144257851092
Energy: 1.5540597370558589
Energy: 1.8896179320338906
Energy: 1.7845681031462148
Energy: 1.8896179320338906
Energy: 1.542666710778612
Energy: 1.7144543750102206
Energy: 1.526566833022685
Energy: 1.7144543750117336
Energy: 1.5396801557413333
Energy: 1.612847695996205
Energy: 1.5595325749141766
Energy: 1.6128476959954483
Energy: 1.556419345156873
Energy: 1.693748331800626
Energy: 1.9788332664464303
Energy: 1.6937483318013822
Energy: 1.7964422872283048
Energy: 1.8243335454795346
Energy: 1.5498632689648861
Energy: 1.824333545459867
Energy: 1.5432072398774261
Energy: 1.6856289390737387
Energy: 1.8684536081968577
Energy: 1.6856289390722254
Energy: 1.788710294634597
Energy: 1.9195091651562295
Energy: 1.5578397138323006
Energy: 1.9195091651577423
Energy: 1.5615332930165478
Energy: 1.7624017234987643
Energy: 1.767869993272806
Energy: 1.762401723496495
Energy: 1.5459660624518112
Energy: 1.9022862217270444
Energy: 1.7626884676584786
Energy: 1.902286221727801
Energy: 1.6990907370017865
Energy: 1.76167784836452
Energy: 1.5615610792083672
Energy: 1.76167784836452
Energy: 1.5904748327674534
Energy: 1.600616135041031
Energy: 1.8405473429933359
Energy: 1.6006161350402748
Energy: 1.8187311298108477
Energy: 1.7680581767982975
Energy: 1.5308287281184099
Energy: 1.768058176799054
Energy: 1.548218697110502
Energy: 1.634538617362137
Energy: 1.7261344406042645
Energy: 1.634538617362137
Energy: 1.7688873315637164
Energy: 1.881146838669932
Energy: 1.7600485764570066
Energy: 1.881146838669932
Energy: 1.7303689295306826
Energy: 1.7422439315100902
Energy: 1.5400070818891847
Energy: 1.7422439315100902
Energy: 1.527110675716671
Energy: 1.7674934467224948
Energy: 1.5431274372391064
Energy: 1.7674934467224948
Energy: 1.9723390448791653
Energy: 1.6892583415285984
Energy: 1.5545097896143623
Energy: 1.6892583415285984
Energy: 1.557474844974542
Energy: 1.8291759657404976
Energy: 1.9501013242771235
Energy: 1.8291759657420104
Energy: 1.6664435200314662
Energy: 1.5279737850788546
Energy: 1.5392041190348786
Energy: 1.5279737850780983
Energy: 1.694764244009865
Energy: 1.7483991374301238
Energy: 1.7431047371393278
Energy: 1.7483991374195336
Energy: 1.5478900709005565
Energy: 1.8844229300387842
Energy: 1.7440727137019192
Energy: 1.8844229300387842
Energy: 1.658076423653848
Energy: 1.5271413897051225
Energy: 1.5381407720517157
Energy: 1.5271413897051225
Energy: 1.5569404791488022
Energy: 1.8289124523693598
Energy: 1.9519538746263294
Energy: 1.8289124523693598
Energy: 1.873858861056075
Energy: 1.6914640016595515
Energy: 1.5530536897206098
Energy: 1.6914640016610643
Energy: 1.527522008205775
Energy: 1.604014428072682
Energy: 1.5395481820138697
Energy: 1.6040144280734387
Energy: 1.557148463697959
Energy: 1.750027343387312
Energy: 1.5386607892365314
Energy: 1.7500273433880684
Energy: 1.7751657545290518
Energy: 1.884023142703322
Energy: 1.759356329369028
Energy: 1.884023142703322
Energy: 1.5463591738271356
Energy: 1.8076195860244404
Energy: 2.07223792893651
Energy: 1.8076195860236837

minimum gb energy = 1.526566833022685 eV
minimum distance =  2.20449620349867 Angstroms
sigma value = 73


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

Energy: 1.6755575447326663
Energy: 1.6808707388482476
Energy: 1.8827541323180026
Energy: 1.6808707388482476
Energy: 1.83386844656296
Energy: 1.676288640312156
Energy: 1.5400277416810004
Energy: 1.6762886403109556
Energy: 1.590568526652044
Energy: 1.5388383776940135
Energy: 1.5466671721039587
Energy: 1.5388383776940135
Energy: 1.5634227336287336
Energy: 1.7797620593054444
Energy: 1.6772536291204576
Energy: 1.7797620593066443
Energy: 1.6752833725879703
Energy: 1.6775615995260822
Energy: 1.597202439987623
Energy: 1.677561599524882
Energy: 1.6038956894009764
Energy: 1.8294893169259148
Energy: 1.88617649706877
Energy: 1.829489316927115
Energy: 2.0110019113386675
Energy: 1.7645012244475051
Energy: 1.6283968380674967
Energy: 1.7645012244475051
Energy: 1.5605234029632573
Energy: 1.5386964106239576
Energy: 1.9044491027381654
Energy: 1.5386964106239576
Energy: 1.9520306087445585
Energy: 1.5396081403377218
Energy: 1.5387657440361353
Energy: 1.5396081403377218
Energy: 1.5902954556097197
Energy: 1.684944529459497
Energy: 1.5920915070043187
Energy: 1.684944529459497
Energy: 1.5578824875083388
Energy: 1.5389210574274168
Energy: 1.8865071626204641
Energy: 1.5389210574274168
Energy: 1.834435902384046
Energy: 1.778141635297991
Energy: 1.5639345143703356
Energy: 1.778141635297991
Energy: 1.5929595978206614
Energy: 1.6384765281366902
Energy: 1.8706138335525715
Energy: 1.6384765281378904
Energy: 1.8791035513981316
Energy: 1.7601188187556747
Energy: 1.6002306833115783
Energy: 1.7601188187544747
Energy: 1.5677374808417182
Energy: 1.8319603901020811
Energy: 1.9481449240802413
Energy: 1.8319603901020811
Energy: 1.8844501078833473
Energy: 1.541749813933931
Energy: 1.5610436299593529
Energy: 1.5417498139327313
Energy: 1.6694496626167665
Energy: 1.676106464671701
Energy: 1.596512938235997
Energy: 1.6761064646656998
Energy: 1.6697536409316487
Energy: 1.7871286889058047
Energy: 1.5965315067940478
Energy: 1.7871286889058047
Energy: 1.820319242541051
Energy: 1.5387704963302604
Energy: 1.5579582649046997
Energy: 1.5387704963302604
Energy: 1.6124289006153067
Energy: 1.7251762027188127
Energy: 2.0056864131700074
Energy: 1.7251762027188127
Energy: 1.9232563169330736
Energy: 1.8307928032339371
Energy: 1.6012579485538592
Energy: 1.8307928032339371
Energy: 1.677058365130382
Energy: 1.6908400800429686
Energy: 1.760381763763
Energy: 1.6908400800429686

minimum gb energy = 1.5386964106239576 eV
minimum distance =  2.21807857480824 Angstroms
sigma value = 7


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

Energy: 1.5774331209875645
Energy: 1.5780085681819511
Energy: 1.9232678118822422
Energy: 1.5780085681785565
Energy: 1.9703443489207662
Energy: 1.6970840762034791
Energy: 1.5979536337743012
Energy: 1.697084076205138
Energy: 1.56303640271533
Energy: 1.8184987119014853
Energy: 1.63880946242307
Energy: 1.8184987119023341
Energy: 1.6562796202769352
Energy: 1.6720011564990473
Energy: 1.6128426004939767
Energy: 1.6720011564981987
Energy: 1.5839346794389502
Energy: 1.678060547127754
Energy: 1.5688424582293719
Energy: 1.678060547126057
Energy: 1.5666979808191481
Energy: 1.5776303665934057
Energy: 1.9222264813166905
Energy: 1.5776303665934057
Energy: 1.8805548074848792
Energy: 1.8652773018014317
Energy: 1.6189943371351214
Energy: 1.8652773018031288
Energy: 1.566343974432453
Energy: 1.5781740439530227
Energy: 2.0466081381961794
Energy: 1.5781740439504768
Energy: 1.8327381852530058
Energy: 1.6530141991329859
Energy: 1.6103733769625075
Energy: 1.6530141991312886
Energy: 1.5809094001060031
Energy: 1.6738735968632523
Energy: 1.756614059881744
Energy: 1.673873596861555
Energy: 1.6950030097016788
Energy: 1.8200067548001082
Energy: 1.6951109117152094
Energy: 1.820006754800957
Energy: 1.578880687413479
Energy: 1.6785049406381616
Energy: 1.6579432291064344
Energy: 1.6785049406398587
Energy: 1.5777780355598863
Energy: 1.5789835912272892
Energy: 1.6600082243719623
Energy: 1.5789835912289865
Energy: 1.6394698432006398
Energy: 1.5665368010306782
Energy: 1.6391715763076438
Energy: 1.566536801033224
Energy: 1.5779587869020573
Energy: 1.8781273199303101
Energy: 1.9321813925672686
Energy: 1.8781273199303101
Energy: 2.0090679228155826
Energy: 1.5659390302412513
Energy: 1.5830104689582674
Energy: 1.5659390302404028
Energy: 1.5975950247581487
Energy: 1.678457055640666
Energy: 1.8224873780870015
Energy: 1.67845705563812
Energy: 1.569157447791012
Energy: 1.8133914647543556
Energy: 1.657555814666863
Energy: 1.8133914647543556
Energy: 1.5972462377895784
Energy: 1.5777234631553276
Energy: 1.6723854443737143
Energy: 1.57772346315363
Energy: 1.580148103591779
Energy: 1.6557304535124475
Energy: 1.6718244638487332
Energy: 1.6557304535149935
Energy: 1.6961715573497889
Energy: 1.8225263579050008
Energy: 1.60959147548228
Energy: 1.8225263579083957
Energy: 1.5914340317501197
Energy: 1.578415574736645
Energy: 1.8312705264590319
Energy: 1.5784155747349475
Energy: 1.939613742775689
Energy: 1.7705871313324388
Energy: 1.6055787134262345
Energy: 1.7705871313332875
Energy: 1.5832216924679412
Energy: 1.578808501370113
Energy: 2.0202042049545543
Energy: 1.5788085013718107
Energy: 1.6688780466704545
Energy: 1.656121024596905
Energy: 1.5861118849013849
Energy: 1.656121024596905
Energy: 1.6328329941406945
Energy: 1.8177053957225127
Energy: 1.6463931814551267
Energy: 1.8177053957250586
Energy: 1.5833721746103269
Energy: 1.6735704218102732
Energy: 1.6006959141339108
Energy: 1.6735704218094245
Energy: 1.6343736288655604
Energy: 1.678529480010484
Energy: 1.61265828262026
Energy: 1.6785294800138786
Energy: 1.561952738854763
Energy: 1.5794835595999601
Energy: 1.810005944540726
Energy: 1.5794835596025059
Energy: 1.8153254567669168
Energy: 1.6242554833833687
Energy: 1.5980651675630568
Energy: 1.6242554833867635
Energy: 1.5621041807253897
Energy: 1.5787596428403368
Energy: 1.8371465913897624
Energy: 1.5787596428403368

minimum gb energy = 1.561952738854763 eV
minimum distance =  2.20314575691888 Angstroms
sigma value = 29


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

Energy: 1.5211026230052247
Energy: 1.4833340635438015
Energy: 1.7123331377479842
Energy: 1.48333406354321
Energy: 1.6720467391897336
Energy: 1.522544434377978
Energy: 1.5893137105851156
Energy: 1.5225444343776822
Energy: 1.6019447928156134
Energy: 1.5758340211908612
Energy: 1.6013630363082627
Energy: 1.5758340211908612
Energy: 1.5192853952843441
Energy: 1.453500236167722
Energy: 1.6444619166603653
Energy: 1.4535002361683131
Energy: 1.5216337492408802
Energy: 1.5362559973425194
Energy: 1.6541091056329413
Energy: 1.5362559973425194
Energy: 1.6015200172447537
Energy: 1.5765984193724079
Energy: 1.6014921062755347
Energy: 1.5765984193724079
Energy: 1.5536751459339815
Energy: 1.5365184338535667
Energy: 1.5215197815651405
Energy: 1.5365184338532711
Energy: 1.6443578170235242
Energy: 1.453645954672048
Energy: 1.5193802910819203
Energy: 1.4536459546714566
Energy: 1.6014726172368066
Energy: 1.5757899262563988
Energy: 1.672029122034833
Energy: 1.5757899262563988

minimum gb energy = 1.453500236167722 eV
minimum distance =  2.26144676441266 Angstroms
sigma value = 5


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

Energy: 1.4991943601019835
Energy: 1.5085050546330978
Energy: 1.7430771820358038
Energy: 1.5085050546330978
Energy: 1.7081911121083664
Energy: 1.47854515138619
Energy: 1.5017676588876803
Energy: 1.4785451513821817
Energy: 1.4778043385496011
Energy: 1.497099981786613
Energy: 1.7330679601785133
Energy: 1.4970999817874147
Energy: 1.4818430536186429
Energy: 1.5687629168438206
Energy: 1.4731546198520749
Energy: 1.568762916843019
Energy: 1.4787226509217026
Energy: 1.575346797970365
Energy: 1.6872445352635834
Energy: 1.575346797970365
Energy: 1.568812269283745
Energy: 1.5099846248478013
Energy: 1.4537823804012688
Energy: 1.5099846248486026
Energy: 1.4530826472662628
Energy: 1.5731054716586803
Energy: 1.4710504459096887
Energy: 1.5731054716586803
Energy: 1.4640134150043327
Energy: 1.5087778865226946
Energy: 1.4811026429294825
Energy: 1.508777886521893
Energy: 1.4653971546749582
Energy: 1.5728985685277097
Energy: 1.4744178722675405
Energy: 1.5728985685285113
Energy: 1.4691194397174456
Energy: 1.573807877026014
Energy: 1.4958978019440026
Energy: 1.573807877026014
Energy: 1.5081077915061252
Energy: 1.5093829975435813
Energy: 1.4787442536043414
Energy: 1.5093829975427795
Energy: 1.4860029013901612
Energy: 1.5815788877287722
Energy: 1.5748671331350494
Energy: 1.581578887729574
Energy: 1.570341699244741
Energy: 1.5085073823385806
Energy: 1.514278130748959
Energy: 1.508507382337779
Energy: 1.4895741055275906
Energy: 1.5095296940595304
Energy: 1.5207781288155628
Energy: 1.5095296940595304
Energy: 1.553779517126294
Energy: 1.4658142379602699
Energy: 1.4787822646161137
Energy: 1.4658142379610715
Energy: 1.4711830035241173
Energy: 1.4971888160840412
Energy: 1.7247338170236335
Energy: 1.4971888160848426
Energy: 1.7145306503898183
Energy: 1.4900097415024947
Energy: 1.4981227993090747
Energy: 1.4900097415024947
Energy: 1.476360775478348
Energy: 1.5083818216455052
Energy: 1.875065022204654
Energy: 1.5083818216439022
Energy: 1.4756030502819746
Energy: 1.5768214512148635
Energy: 1.4566641504899955
Energy: 1.5768214512148635
Energy: 1.464456707253893
Energy: 1.6489955620840864
Energy: 1.4806617185547082
Energy: 1.6489955620832848
Energy: 1.4797877976897256
Energy: 1.5647210314575477
Energy: 1.469059222721471
Energy: 1.5647210314575477
Energy: 1.5061873070149077
Energy: 1.573585802228128
Energy: 1.4659158253723257
Energy: 1.5735858022273261
Energy: 1.4806610613696696
Energy: 1.508753457575161
Energy: 1.474192988635634
Energy: 1.5087534575783679
Energy: 1.5090780867420772
Energy: 1.5176095407367944
Energy: 1.4802005602091044
Energy: 1.5176095407175547
Energy: 1.5073438192386925
Energy: 1.5008258643610763
Energy: 1.4787528682483992
Energy: 1.500825864357068
Energy: 1.4955017132760264
Energy: 1.5088441359822515
Energy: 1.4793874929531483
Energy: 1.50884413598145
Energy: 1.4806854506263432
Energy: 1.5561938574840888
Energy: 1.5514072665433984
Energy: 1.5561938574840888
Energy: 1.7505436477232017
Energy: 1.5780032856137043
Energy: 1.471301253526257
Energy: 1.5780032856137043
Energy: 1.4858264616872767
Energy: 1.4788614736761114
Energy: 1.514345371164854
Energy: 1.4788614736761114
Energy: 1.8778222966717648
Energy: 1.5079822183354707
Energy: 1.476387503556942
Energy: 1.5079822183362726
Energy: 1.461176881153108
Energy: 1.4815528533757443
Energy: 1.6434681304102956
Energy: 1.4815528533765459
Energy: 1.6900299142168627
Energy: 1.570203753402596
Energy: 1.4758320350102354
Energy: 1.570203753402596
Energy: 1.4740648957680147
Energy: 1.5685181011161116
Energy: 1.4587682004286622
Energy: 1.5685181011153098

minimum gb energy = 1.4530826472662628 eV
minimum distance =  2.2015636512549 Angstroms
sigma value = 1


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

Energy: 1.4495854417662772
Energy: 1.4495008718752398
Energy: 1.721073739937852
Energy: 1.4495008718752398
Energy: 1.5121355667180143
Energy: 1.4020760473178162
Energy: 1.427910131716844
Energy: 1.4020760473189249
Energy: 1.3948885426788562
Energy: 1.4500437810518843
Energy: 1.6384551930917173
Energy: 1.4500437810507758
Energy: 1.6968759970017042
Energy: 1.5296367100659267
Energy: 1.4098309098447093
Energy: 1.5296367100659267
Energy: 1.3953412277002368
Energy: 1.4485198491079567
Energy: 1.687084542586791
Energy: 1.4485198491090652
Energy: 1.396216397549757
Energy: 1.5296099522987958
Energy: 1.4099928466828446
Energy: 1.5296099522987958
Energy: 1.3892496689791773
Energy: 1.5705240109282266
Energy: 1.478128842709476
Energy: 1.5705240109293348
Energy: 1.3889671579469267
Energy: 1.4515090347480697
Energy: 1.5087764414902733
Energy: 1.4515090347480697
Energy: 1.44881858526711
Energy: 1.4501329515935477
Energy: 1.4693657057824794
Energy: 1.4501329515957648
Energy: 1.448908754960854
Energy: 1.4500941384276833
Energy: 1.4802794425651684
Energy: 1.4500941384287918
Energy: 1.3889411857945948
Energy: 1.45153211354999
Energy: 1.5086724361933934
Energy: 1.4515321135488815
Energy: 1.3955169267066374
Energy: 1.5705087013465726
Energy: 1.4156093805592067
Energy: 1.5705087013476813
Energy: 1.397538877171458
Energy: 1.5293186191274097
Energy: 1.4099607252488426
Energy: 1.529318619128518
Energy: 1.3953146147874818
Energy: 1.4485191047758659
Energy: 1.6051317207710816
Energy: 1.4485191047758659
Energy: 1.6967459057357088
Energy: 1.5296553973206028
Energy: 1.4095622272040358
Energy: 1.5296553973194946
Energy: 1.3946555265172222
Energy: 1.4500582507655528
Energy: 1.5711428488186732
Energy: 1.4500582507666613
Energy: 1.5122400244821474
Energy: 1.4020867315231227
Energy: 1.4278761367928483
Energy: 1.402086731524231
Energy: 1.4495854417662772
Energy: 1.4495008718752398
Energy: 1.7303941810395567
Energy: 1.4495008718741316
Energy: 1.5121355667180143
Energy: 1.4020760473178162
Energy: 1.427910131716844
Energy: 1.4020760473189249
Energy: 1.3948885426788562
Energy: 1.4500437810518843
Energy: 1.9025905009663697
Energy: 1.4500437810518843
Energy: 1.696642632367652
Energy: 1.529636710067035
Energy: 1.4098309098447093
Energy: 1.5296367100659267
Energy: 1.3953412277002368
Energy: 1.4485198491090652
Energy: 1.6870845425856824
Energy: 1.4485198491079567
Energy: 1.396216397549757
Energy: 1.5296099522987958
Energy: 1.4099928466817362
Energy: 1.5296099522987958
Energy: 1.3892496689780687
Energy: 1.5705240109282266
Energy: 1.4781288427083676
Energy: 1.5705240109293348

minimum gb energy = 1.3889411857945948 eV
minimum distance =  2.21838656616133 Angstroms
sigma value = 17


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

Energy: 1.4347446344152437
Energy: 1.4350142971637205
Energy: 1.729634718577084
Energy: 1.4350142971630355
Energy: 1.6699559334017704
Energy: 1.4219617794799648
Energy: 1.4021970567282687
Energy: 1.42196177948065
Energy: 1.399845956110206
Energy: 1.4186494761042339
Energy: 1.7058460655517858
Energy: 1.4186494761035489
Energy: 1.5402115143213764
Energy: 1.387896760274862
Energy: 1.3964594716616918
Energy: 1.387896760274862
Energy: 1.3965564419851484
Energy: 1.5158113825391175
Energy: 1.737850306656739
Energy: 1.5158113825398027
Energy: 1.390179434616022
Energy: 1.661071539115037
Energy: 1.4141852221395894
Energy: 1.6610715391143518
Energy: 1.4245611329149046
Energy: 1.4936401415579348
Energy: 1.4677019340778865
Energy: 1.4936401415593052
Energy: 1.4167437822155757
Energy: 1.6716508019599723
Energy: 1.4075145130359334
Energy: 1.6716508019592873
Energy: 1.433569189501369
Energy: 1.6715627929535661
Energy: 1.515996843475842
Energy: 1.6715627929549361
Energy: 1.4179830036040677
Energy: 1.4823100143847645
Energy: 1.4030379665910226
Energy: 1.4823100143875048
Energy: 1.3911567303801493
Energy: 1.4544006994899399
Energy: 1.4035368205886627
Energy: 1.4544006994892547
Energy: 1.38995761638666
Energy: 1.4864081562898523
Energy: 1.4172709915129955
Energy: 1.4864081562898523
Energy: 1.387936506243651
Energy: 1.6611840943071834
Energy: 1.4011586461073282
Energy: 1.6611840943044431
Energy: 1.4206772616752343
Energy: 1.514257669248388
Energy: 1.434166369166906
Energy: 1.514257669248388
Energy: 1.4604704499639694
Energy: 1.6539825048305767
Energy: 1.4466245317904611
Energy: 1.6539825048305767
Energy: 1.4050494683497694
Energy: 1.419423388994775
Energy: 1.7570961279795108
Energy: 1.419423388993405
Energy: 1.4527164035049869
Energy: 1.6522806833858428
Energy: 1.4009309998609294
Energy: 1.6522806833858428
Energy: 1.3904980592827132
Energy: 1.4352326283283916
Energy: 1.7050973260559852
Energy: 1.4352326283290768
Energy: 1.5950692852570334
Energy: 1.4886156010668687
Energy: 1.4018575579620072
Energy: 1.4886156010668687
Energy: 1.4077404061423153
Energy: 1.4196200465123638
Energy: 1.7665508051670578
Energy: 1.419620046511679
Energy: 1.431683439086323
Energy: 1.4120156548563079
Energy: 1.421904447349593
Energy: 1.4120156548563079
Energy: 1.4222138953615129
Energy: 1.6865421944194254
Energy: 1.5939835384732304
Energy: 1.6865421944194254
Energy: 1.7917620200909805
Energy: 1.4043461319544313
Energy: 1.4100752907950258
Energy: 1.404346131955116
Energy: 1.4018854342071512
Energy: 1.4959056503719594
Energy: 1.605017758758833
Energy: 1.4959056503726447
Energy: 1.7181864524984332
Energy: 1.4360466832252212
Energy: 1.3927106629489516
Energy: 1.4360466832265912
Energy: 1.4037144699582835
Energy: 1.515825984534363
Energy: 1.4470065125649445
Energy: 1.5158259845336777
Energy: 1.5887089890621737
Energy: 1.4747756961668026
Energy: 1.3969778384601181
Energy: 1.4747756961668026
Energy: 1.447240131999844
Energy: 1.6519339714743673
Energy: 1.4608253411516392
Energy: 1.6519339714750525
Energy: 1.4338489423786112
Energy: 1.5136988076130284
Energy: 1.4174362628172308
Energy: 1.5136988076130284
Energy: 1.418843002800108
Energy: 1.4709244257647096
Energy: 1.4712614938108788
Energy: 1.4709244257640246
Energy: 1.397293372237945
Energy: 1.5115127499018353
Energy: 1.3898868553431292
Energy: 1.5115127499018353
Energy: 1.459271188318041
Energy: 1.645657139467323
Energy: 1.4005148077891236
Energy: 1.64565713941183
Energy: 1.3973591353926382
Energy: 1.4830817921983412
Energy: 1.6159295831323017
Energy: 1.4830817921983412
Energy: 1.5201793743877177
Energy: 1.6755918016179732
Energy: 1.4160104542119105
Energy: 1.6755918016186584
Energy: 1.3917078832827716
Energy: 1.4364980664438487
Energy: 1.445887888876451
Energy: 1.4364980664424787
Energy: 1.467532738099802
Energy: 1.4947995481083638
Energy: 1.422527425700295
Energy: 1.4947995481063083
Energy: 1.4101966587950419
Energy: 1.6602076838919901
Energy: 1.3933628264933926
Energy: 1.6602076838878796
Energy: 1.454536004864
Energy: 1.5176531433492126
Energy: 1.4057843911410202
Energy: 1.5176531433505827

minimum gb energy = 1.387896760274862 eV
minimum distance =  2.21227279459918 Angstroms
sigma value = 89


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

Energy: 1.2709014804345777
Energy: 1.2711463270539272
Energy: 1.6882075449302347
Energy: 1.2711463270539272
Energy: 1.2713350686250788
Energy: 1.311161713671844
Energy: 1.292754751293666
Energy: 1.311161713671844
Energy: 1.2893725902286317
Energy: 1.4888463559376937
Energy: 2.1010942127671997
Energy: 1.4888463559376937
Energy: 1.6101591319653858
Energy: 1.3112863269720731
Energy: 1.293233421315344
Energy: 1.3112863269720731
Energy: 1.2888868572070804
Energy: 1.3858347329499991
Energy: 2.0015173712510843
Energy: 1.3858347329499991
Energy: 1.2889879461952176
Energy: 1.2716266900584252
Energy: 1.2704453278894974
Energy: 1.2716266900584252
Energy: 1.289531567708616
Energy: 1.4892559475552969
Energy: 1.2709066482312565
Energy: 1.4892559475552969
Energy: 1.2986317926950828
Energy: 1.7470334270735066
Energy: 1.2924201005636562
Energy: 1.7470334270735066
Energy: 1.2888384042497298
Energy: 1.3859193231582667
Energy: 1.3407169946795967
Energy: 1.3859193231582667
Energy: 1.3109597436729143
Energy: 1.6433274949099186
Energy: 1.288865520437089
Energy: 1.6433274949099186
Energy: 1.2705857912038774
Energy: 1.3119731504009855
Energy: 1.2890042736590663
Energy: 1.3119731504009855
Energy: 1.2708266604409277
Energy: 1.4849753606721126
Energy: 1.2927253143769655
Energy: 1.4849753606721126
Energy: 1.288894698128445
Energy: 1.2723242868499902
Energy: 1.3082804699803625
Energy: 1.2723242868499902
Energy: 1.2889265275902033
Energy: 1.3817460409232314
Energy: 1.2890016692557702
Energy: 1.3817460409232314
Energy: 1.2946544360629613
Energy: 1.272310640023652
Energy: 1.2889191404672904
Energy: 1.272310640023652

minimum gb energy = 1.2704453278894974 eV
minimum distance =  2.23727058378707 Angstroms
sigma value = 13


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

Energy: 1.2724320074609738
Energy: 1.669278218301129
Energy: 1.8955635706589644
Energy: 1.6692782183033832
Energy: 1.6097164744676598
Energy: 1.690772490294121
Energy: 1.2293183851538119
Energy: 1.6907724902933698
Energy: 1.239303127323548
Energy: 1.7331008557831085
Energy: 1.4752434666356107
Energy: 1.7331008557823573
Energy: 1.2598308411173553
Energy: 1.6902462213836542
Energy: 1.2271748714008002
Energy: 1.6902462213851568
Energy: 1.2461745134218007
Energy: 1.5082253152872405
Energy: 1.3107803645560425
Energy: 1.5082253152782243
Energy: 1.2552697940323772
Energy: 1.4829834041629042
Energy: 1.2461871087323524
Energy: 1.4829834041614014
Energy: 1.2456257863063633
Energy: 1.7017250803083515
Energy: 1.695375619073508
Energy: 1.7017250803068489
Energy: 1.2712438523574348
Energy: 1.7553519212388269
Energy: 1.2463578627866483
Energy: 1.7553519212403295
Energy: 1.2461775092440683
Energy: 1.7007342576609916
Energy: 1.4323698565545704
Energy: 1.7007342576609916
Energy: 1.4714588959950048
Energy: 1.5290000764943072
Energy: 1.2274243000667522
Energy: 1.529000076500318
Energy: 1.246061213237442
Energy: 1.5282237393401525
Energy: 1.2598843192583404
Energy: 1.528223739340904
Energy: 1.6157580671952776
Energy: 1.530614699352902
Energy: 1.23503232797698
Energy: 1.53061469934614
Energy: 1.287088211011285
Energy: 1.4721176660279793
Energy: 1.2376153814405304
Energy: 1.47211766602272
Energy: 1.634461990623228
Energy: 1.5297786947852519
Energy: 1.2362078261471299
Energy: 1.5297786947814953
Energy: 1.2459202812537
Energy: 1.7388603815839123
Energy: 1.2373507870763722
Energy: 1.738860381583161
Energy: 1.2279667363458988
Energy: 1.529167127507966
Energy: 1.224345461682995
Energy: 1.529167127507966
Energy: 1.2431665912274477
Energy: 1.498770264801101
Energy: 1.2243109030570403
Energy: 1.4987702648146244
Energy: 1.2605429128639747
Energy: 1.6961414455805806
Energy: 1.242210890439965
Energy: 1.6961414455798292
Energy: 1.24274636359629
Energy: 1.8062603282318566
Energy: 1.2422828182430554
Energy: 1.8062603282318566
Energy: 1.2426334258344336
Energy: 1.6974473128073178
Energy: 1.242132261270954
Energy: 1.6974473128005556
Energy: 1.2594981582803617
Energy: 1.6959263413474508
Energy: 1.2423979614347411
Energy: 1.6959263413497048
Energy: 1.242511630965637
Energy: 1.4987684177473932
Energy: 1.2241698538805965
Energy: 1.49876841775115
Energy: 1.2281165688666231
Energy: 1.5294451809338325
Energy: 1.2236049535311344
Energy: 1.529445180934584
Energy: 1.2458540206047397
Energy: 1.727871149628618
Energy: 1.2661866141077858
Energy: 1.7278711496316235
Energy: 1.6356521210030823
Energy: 1.529864075075042
Energy: 1.2359385212539176
Energy: 1.5298640750787986
Energy: 1.2868211817119055
Energy: 1.471873960205415
Energy: 1.2662641655312805
Energy: 1.4718739602084203
Energy: 1.6157503968294293
Energy: 1.5298278811772832
Energy: 1.2356447273013584
Energy: 1.5298278811795374
Energy: 1.24615161330607
Energy: 1.5278658063003718
Energy: 1.259648140496856
Energy: 1.5278658063026258
Energy: 1.4590863185663077
Energy: 1.53071116696079
Energy: 1.2273886226151889
Energy: 1.5307111670141342
Energy: 1.2459622782670807
Energy: 1.700721313474383
Energy: 1.6171867793171024
Energy: 1.700721313476637
Energy: 1.271010354561478
Energy: 1.7557992153688147
Energy: 1.2463081981559823
Energy: 1.755799215366561
Energy: 1.2456574252030563
Energy: 1.702543662644951
Energy: 1.7819857528181011
Energy: 1.7025436626479564
Energy: 1.256732066947194
Energy: 1.4845292539398738
Energy: 1.2461650394591985
Energy: 1.4845292539383712
Energy: 1.2457461572902655
Energy: 1.5075614014118992
Energy: 1.3107342903765626
Energy: 1.5075614014103962
Energy: 1.2603333795434664
Energy: 1.6904290925617091
Energy: 1.227257914520571
Energy: 1.690429092563212

minimum gb energy = 1.2236049535311344 eV
minimum distance =  2.1396607080824 Angstroms
sigma value = 37


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

Energy: 1.1730987638927148
Energy: 1.1727504126442811
Energy: 1.542496774425655
Energy: 1.1727504126442811
Energy: 1.2639449837933128
Energy: 1.5062881007334885
Energy: 1.1296921733633192
Energy: 1.5062881007334885
Energy: 1.1407050258822578
Energy: 1.8613398453906804
Energy: 1.951167401502324
Energy: 1.8613398453906804
Energy: 1.1174587729685477
Energy: 1.5061852780595142
Energy: 1.1296141766059493
Energy: 1.5061852780582214
Energy: 1.1275567121037493
Energy: 1.5054508623596883
Energy: 1.5646577590937927
Energy: 1.5054508623583955
Energy: 1.8929135317771781
Energy: 1.5060971411972144
Energy: 1.1217984333973692
Energy: 1.5060971411972144
Energy: 1.1612116106928276
Energy: 1.8662614930689483
Energy: 1.4568913804463106
Energy: 1.8662614930689483
Energy: 1.1275183991963889
Energy: 1.172891415947146
Energy: 1.1765482837882053
Energy: 1.172891415947146
Energy: 1.1276560105630864
Energy: 1.5232442112969642
Energy: 1.6293379904919747
Energy: 1.523244211298257
Energy: 1.949311017642844
Energy: 1.537644736590661
Energy: 1.1217533890340305
Energy: 1.5376447365893682
Energy: 1.161047082587963
Energy: 1.8600055015679953
Energy: 1.1178548712038077
Energy: 1.8600055015679953
Energy: 1.512306085822976
Energy: 1.17223857902482
Energy: 1.1297883502591055
Energy: 1.1722385790235272
Energy: 1.1173604288775514
Energy: 1.5232838650936804
Energy: 1.1402652601891983
Energy: 1.5232838650936804
Energy: 1.4546046203261094
Energy: 1.861030041461594
Energy: 1.1272477520886857
Energy: 1.8610300414628866
Energy: 1.1722996991848866
Energy: 1.2289777247212716
Energy: 1.127411751547252
Energy: 1.2289777247212716
Energy: 1.172570794840193
Energy: 1.523513661365527
Energy: 1.1297535263642058
Energy: 1.523513661365527
Energy: 1.117356198470818
Energy: 1.5370737721129448
Energy: 1.176659536487784
Energy: 1.5370737721142373
Energy: 1.117693757753383
Energy: 1.8646294845202311
Energy: 1.1273420724404917
Energy: 1.8646294845202311
Energy: 1.1273264445841233
Energy: 1.1731906927800329
Energy: 1.1274128687733107
Energy: 1.1731906927800329
Energy: 1.1275037039785125
Energy: 1.523531265445485
Energy: 1.1175697464585082
Energy: 1.523531265445485

minimum gb energy = 1.117356198470818 eV
minimum distance =  2.23383998626181 Angstroms
sigma value = 25


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

Energy: 1.0848262666686819
Energy: 1.5676481618566467
Energy: 1.4804959803569167
Energy: 1.567648161855637
Energy: 1.3506303329019074
Energy: 1.5870998397309402
Energy: 1.0296410141352417
Energy: 1.5870998397319493
Energy: 1.023622003024273
Energy: 1.0236094836291982
Energy: 1.923366254470378
Energy: 1.0236094836291982
Energy: 1.105838294497212
Energy: 1.588146155161454
Energy: 1.0296819488655116
Energy: 1.588146155161454
Energy: 1.0321190510229425
Energy: 1.5878879309331548
Energy: 1.4662147268879504
Energy: 1.5878879309331548
Energy: 1.4661036104873622
Energy: 1.5883453582179463
Energy: 1.0297106432967575
Energy: 1.5883453582179463
Energy: 1.0326150547335202
Energy: 1.3005397634277631
Energy: 1.303808867546147
Energy: 1.3005397634277631
Energy: 1.4825604674799062
Energy: 1.356018850502622
Energy: 1.0258210562769723
Energy: 1.356018850502622
Energy: 1.031988068526587
Energy: 1.5869139534706607
Energy: 1.4677799599708439
Energy: 1.5869139534706607
Energy: 1.00363257772649
Energy: 1.5626488988300282
Energy: 1.0869550611194463
Energy: 1.5626488988300282
Energy: 1.0325454040122088
Energy: 1.3007958153466994
Energy: 1.5195474257861812
Energy: 1.3007958153456898
Energy: 1.7905501108847184
Energy: 1.6287224594423755
Energy: 1.025841765787124
Energy: 1.628722459443385
Energy: 1.0319880962055494
Energy: 1.5881093447461443
Energy: 1.2632491367659087
Energy: 1.5881093447461443
Energy: 1.7673675384676415
Energy: 1.6237134301393108
Energy: 1.029736678767719
Energy: 1.6237134301393108
Energy: 1.0324389116835333
Energy: 1.3007982937651617
Energy: 0.9981632181456368
Energy: 1.3007982937661708
Energy: 1.313486917707924
Energy: 1.6850229881199414
Energy: 1.0303411669003584
Energy: 1.6850229881199414
Energy: 1.0319428416711782
Energy: 1.355498669031198
Energy: 1.0170251612428922
Energy: 1.355498669031198
Energy: 1.2882458342065002
Energy: 1.5875124077212788
Energy: 1.0296335110242787
Energy: 1.5875124077222882
Energy: 1.0927768252485497
Energy: 1.5616348688217412
Energy: 1.0044279293347447
Energy: 1.5616348688217412
Energy: 1.5136764810038075
Energy: 1.6507091188282794
Energy: 1.0302188886240098
Energy: 1.6507091188272698
Energy: 1.0291041150255167
Energy: 1.678256572105311
Energy: 1.0094145198351174
Energy: 1.678256572105311
Energy: 1.0235878087826134
Energy: 1.5873585226436633
Energy: 1.0300846423939718
Energy: 1.587358522642654
Energy: 1.0324081151997178
Energy: 1.621919951627358
Energy: 1.3294583570898746
Energy: 1.6219199516263487
Energy: 0.997982628619508
Energy: 1.6362999235844398
Energy: 1.0307899625645636
Energy: 1.6362999235844398
Energy: 1.0303010851763563
Energy: 1.6783783232181393
Energy: 1.3132111282207262
Energy: 1.6783783232181393
Energy: 1.004173300300657
Energy: 1.3555860288474524
Energy: 1.0233747948653402
Energy: 1.3555860288484616

minimum gb energy = 0.997982628619508 eV
minimum distance =  2.15685370186581 Angstroms
sigma value = 41


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

Energy: 1.3627925449372147
Energy: 1.4115288569312257
Energy: 1.3998122897386647
Energy: 1.4115288569312257
Energy: 1.391933942725363
Energy: 1.3925612725343557
Energy: 0.9247913445675089
Energy: 1.3925612725318732
Energy: 0.9523214290415718
Energy: 1.3810204695306596
Energy: 1.6665737427401937
Energy: 1.381020469533142
Energy: 1.1910542178119723
Energy: 1.3940696938392925
Energy: 0.9247531247663026
Energy: 1.3940696938384651
Energy: 0.9183606223834413
Energy: 1.431709550319323
Energy: 0.9969705307916713
Energy: 1.4317095503201502
Energy: 0.9906664227480866
Energy: 1.393149182932664
Energy: 0.924569798315175
Energy: 1.3931491829343192
Energy: 0.923407810337037
Energy: 1.3932617742192113
Energy: 1.172239479537176
Energy: 1.3932617742200388
Energy: 1.3953875581092818
Energy: 1.1859363467493407
Energy: 0.9196729604759161
Energy: 1.1859363467493407
Energy: 0.9284188330445093
Energy: 1.4816515427887496
Energy: 1.5502751885844315
Energy: 1.481651542789577
Energy: 1.7842468825697984
Energy: 1.3823068574815296
Energy: 0.9536469036876456
Energy: 1.382306857480702
Energy: 0.9235336896031567
Energy: 1.3934555496468155
Energy: 1.5180736146849676
Energy: 1.3934555496476433
Energy: 0.9098043370262637
Energy: 1.4118549693931863
Energy: 1.3436445472072382
Energy: 1.4118549693923588
Energy: 0.9283863360763907
Energy: 1.4827527849626572
Energy: 1.5977427970520555
Energy: 1.4827527849634847
Energy: 1.6644355154165866
Energy: 1.5396803299422765
Energy: 0.9535879221843246
Energy: 1.539680329943104
Energy: 0.9235823240654533
Energy: 1.3930871198270713
Energy: 1.3317405671628226
Energy: 1.3930871198270713
Energy: 1.6508360839126295
Energy: 1.4146418338815414
Energy: 0.919679693352306
Energy: 1.4146418338815414
Energy: 0.9283484376940605
Energy: 1.4824957123657216
Energy: 1.1239495197038423
Energy: 1.482495712364894
Energy: 1.185663010961026
Energy: 1.5403112227462614
Energy: 0.9245816413366073
Energy: 1.5403112227462614
Energy: 0.9234596572892623
Energy: 1.185560777243564
Energy: 0.9054608592308011
Energy: 1.185560777243564
Energy: 1.1740266033758995
Energy: 1.4800857433721533
Energy: 0.9278845670078911
Energy: 1.4800857433729806
Energy: 0.9571316473519421
Energy: 1.4823769941238658
Energy: 0.9186271256035564
Energy: 1.4823769941238658
Energy: 1.5087818276650988
Energy: 1.5584547005756648
Energy: 0.9246956310909996
Energy: 1.5584547005756648
Energy: 1.3433018863734998
Energy: 1.4079572032116867
Energy: 0.9096112733049099
Energy: 1.4079572032116867
Energy: 1.3431896393412015
Energy: 1.4808693952044008
Energy: 0.9278483555228894
Energy: 1.4808693952044008
Energy: 0.9572218916313772
Energy: 1.5452492696304805
Energy: 0.9264411101218636
Energy: 1.5452492696304805
Energy: 1.3237747682489782
Energy: 1.5595524578373325
Energy: 0.9247228352754789
Energy: 1.5595524578365048
Energy: 0.9236336126307763
Energy: 1.4784388688578562
Energy: 1.1866757662802858
Energy: 1.4784388688578562
Energy: 0.9187813893168006
Energy: 1.4802613168105048
Energy: 0.9281530801509615
Energy: 1.4802613168105048
Energy: 0.9284542400188575
Energy: 1.5428693407508376
Energy: 1.1854340076715906
Energy: 1.5428693407500098
Energy: 0.9051047001576488
Energy: 1.526273573301959
Energy: 0.9295525674395574
Energy: 1.526273573303614
Energy: 0.9237951330541256
Energy: 1.4780795956436639
Energy: 1.17365027359416
Energy: 1.4780795956428365
Energy: 0.909922161634717
Energy: 1.4798101110524038
Energy: 0.9630620282274458
Energy: 1.4798101110524038

minimum gb energy = 0.9051047001576488 eV
minimum distance =  2.13398477489914 Angstroms
sigma value = 15


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

Energy: 1.2351955243682027
Energy: 1.411725199559486
Energy: 1.3392648526510886
Energy: 1.411725199558785
Energy: 1.4129065680790034
Energy: 1.336005575780017
Energy: 0.863926544933032
Energy: 1.336005575780017
Energy: 0.8925873882787968
Energy: 1.2579635472333466
Energy: 1.568637401521257
Energy: 1.2579635472326456
Energy: 1.2424186296163744
Energy: 1.3359119884295059
Energy: 0.8637979593212728
Energy: 1.3359119884295059
Energy: 0.8599527846547897
Energy: 1.349321531162225
Energy: 1.3339156018590124
Energy: 1.349321531162225
Energy: 1.0725859563135545
Energy: 1.337026231598186
Energy: 0.8638590088165096
Energy: 1.337026231597485
Energy: 0.8628417892583745
Energy: 1.270846407971807
Energy: 1.0625968771717094
Energy: 1.270846407971807
Energy: 0.902855546865978
Energy: 1.273615804525933
Energy: 0.8636886958093059
Energy: 1.2736158045238297
Energy: 0.8662518270264176
Energy: 1.4195576120624382
Energy: 1.2406306235586306
Energy: 1.4195576120631392
Energy: 1.3364562136967866
Energy: 1.3343830197057776
Energy: 0.8607535268455303
Energy: 1.3343830197043756
Energy: 0.8630312785558502
Energy: 1.3354102301182849
Energy: 1.389280229533269
Energy: 1.3354102301182849
Energy: 1.7626904255346962
Energy: 1.258870866446933
Energy: 0.8933147203637043
Energy: 1.2588708664462316
Energy: 0.8663392452116836
Energy: 1.4203108981371322
Energy: 1.4948801498560378
Energy: 1.420310898136431
Energy: 0.8363034392109098
Energy: 1.4094102379781153
Energy: 1.2207811576838252
Energy: 1.409410237978816
Energy: 0.8629683853717663
Energy: 1.335269347426497
Energy: 1.5333317723141306
Energy: 1.3352693474257957
Energy: 1.5666885760925628
Energy: 1.2589416944166645
Energy: 0.8931154523863959
Energy: 1.2589416944166645
Energy: 0.8662244119495632
Energy: 1.4201429979053108
Energy: 1.3464170279220884
Energy: 1.4201429979053108
Energy: 1.5576127188122564
Energy: 1.421160668943051
Energy: 0.8606482259728048
Energy: 1.4211606689402467
Energy: 0.8631456833717587
Energy: 1.3345661466893333
Energy: 1.1922081306768617
Energy: 1.3345661466893333
Energy: 1.064875132976351
Energy: 1.327784372610928
Energy: 0.8638853792807795
Energy: 1.3277843726116292
Energy: 0.8661791190902858
Energy: 1.363197613978312
Energy: 1.020708108078214
Energy: 1.3631976139776747
Energy: 1.0743873864956244
Energy: 1.4152486568976905
Energy: 0.8698901814208971
Energy: 1.4152486568983917
Energy: 0.8629117907384205
Energy: 1.3363050957780769
Energy: 0.8325172073021514
Energy: 1.336305095782984
Energy: 1.389245033185425
Energy: 1.3281625199275917
Energy: 0.8639049280523289
Energy: 1.3281625199275917
Energy: 0.8954752041691945
Energy: 1.365102001329609
Energy: 0.8389469105013424
Energy: 1.365102001329609
Energy: 1.3639076326669957
Energy: 1.4196675516261852
Energy: 0.8699569439050068
Energy: 1.4196675516247832
Energy: 1.2194822845282727
Energy: 1.407978647933986
Energy: 0.8365603147806466
Energy: 1.407978647933986
Energy: 1.5232884137484743
Energy: 1.3335664809464864
Energy: 0.8638905868860106
Energy: 1.3335664809464864
Energy: 0.8955707829871364
Energy: 1.4441941975782921
Energy: 0.8369086447733829
Energy: 1.444194197577591
Energy: 1.1958010994720367
Energy: 1.4190489644063882
Energy: 0.869932354076162
Energy: 1.4190489644063882
Energy: 0.8630001146757968
Energy: 1.4177975937551224
Energy: 1.073820116771036
Energy: 1.4177975937551224
Energy: 1.1837689683659423
Energy: 1.3425403144221915
Energy: 0.8639468477709544
Energy: 1.3425403144221915
Energy: 0.8661160052536717
Energy: 1.4501724806648477
Energy: 1.0716344860331102
Energy: 1.4501724806648477
Energy: 0.8407353266745351
Energy: 1.3619977045822214
Energy: 0.8700473893531266
Energy: 1.3619977045829228
Energy: 0.857509235012583
Energy: 1.4199163743722756
Energy: 1.0728351325388283
Energy: 1.4199163743722756
Energy: 0.8324929102935288
Energy: 1.3333925419999668
Energy: 0.867072724085817
Energy: 1.333392541999266
Energy: 0.8660612905215302
Energy: 1.450180525548767
Energy: 1.3895082133180527
Energy: 1.4501805255480662

minimum gb energy = 0.8324929102935288 eV
minimum distance =  2.23654840478621 Angstroms
sigma value = 85


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

Energy: 1.2341923962507864
Energy: 1.3424798297905398
Energy: 1.2742192696474768
Energy: 1.3424798297911478
Energy: 1.5011708709463754
Energy: 1.2437513172871555
Energy: 0.7925160039724548
Energy: 1.2437513172877634
Energy: 1.1969490505305722
Energy: 1.1854849757143309
Energy: 0.9636899477997782
Energy: 1.1854849757149388
Energy: 1.3569011169539975
Energy: 1.2461614894973456
Energy: 0.7924951800320446
Energy: 1.2461614894979534
Energy: 0.9108875232307705
Energy: 1.1849103985647187
Energy: 0.8844725774610039
Energy: 1.1849103985653267
Energy: 1.2352671896976088
Energy: 1.185467623742631
Energy: 0.7923290227429736
Energy: 1.1854676237432389
Energy: 0.8701866486544803
Energy: 1.1245240105430274
Energy: 1.0305070926776014
Energy: 1.1245240105430274
Energy: 1.0911258863754756
Energy: 1.2427325962007685
Energy: 0.8028068977326157
Energy: 1.2427325961995523
Energy: 0.801431877923948
Energy: 1.1509022816253909
Energy: 1.1876653316110166
Energy: 1.1509022816235668
Energy: 0.9483062428589378
Energy: 1.141957747210068
Energy: 0.8709587099259185
Energy: 1.1419577472082438
Energy: 0.7920063953666016
Energy: 1.245703591112347
Energy: 1.335255746842341
Energy: 1.245703591111739
Energy: 1.343180576454137
Energy: 1.2785696593668872
Energy: 0.9139275836203352
Energy: 1.278569659367495
Energy: 0.7917641939951314
Energy: 1.1505173447461645
Energy: 1.4419591920764188
Energy: 1.1505173447467725
Energy: 1.2720705682973237
Energy: 1.1840848134676574
Energy: 1.1850895362174392
Energy: 1.1840848134676574
Energy: 0.7923981247184025
Energy: 1.2445361198160598
Energy: 1.5496191017006213
Energy: 1.2445361198154516
Energy: 0.7535476412768737
Energy: 1.3056057234210816
Energy: 1.1553469920586728
Energy: 1.3056057234204739
Energy: 0.7915979078263982
Energy: 1.1541705640730697
Energy: 1.488675954365437
Energy: 1.1541705640718536
Energy: 0.9638686243301772
Energy: 1.1843483581348844
Energy: 1.1851626957538497
Energy: 1.1843483581336685
Energy: 0.792329000822006
Energy: 1.2462648802956657
Energy: 1.4180727300421667
Energy: 1.2462648802956657
Energy: 0.9632336283625698
Energy: 1.4033378021355893
Energy: 0.9139955981922335
Energy: 1.4033378021361973
Energy: 0.7930774090190151
Energy: 1.0291400019818189
Energy: 1.344845707083265
Energy: 1.029140001981211
Energy: 1.0308723127208728
Energy: 1.1652476090052033
Energy: 0.8711403002130456
Energy: 1.1652476090039874
Energy: 0.8023117437639158
Energy: 1.2422780242401537
Energy: 1.1431699811695135
Energy: 1.2422780242389373
Energy: 1.0453585773289054
Energy: 1.3297709065767196
Energy: 0.8025776047119731
Energy: 1.3297709065761119
Energy: 0.8697870666967863
Energy: 1.035274396769246
Energy: 0.9897364982173826
Energy: 1.035274396769246
Energy: 1.3357103751058448
Energy: 1.24227725005291
Energy: 0.7933093494357426
Energy: 1.2422772500535182
Energy: 0.9129396385793862
Energy: 1.2776559507113756
Energy: 0.8284183965531527
Energy: 1.2776559507107679
Energy: 1.3338821347250995
Energy: 1.3290814660065673
Energy: 0.7925441364724067
Energy: 1.3290814660059593
Energy: 1.1844299422325144
Energy: 1.1825804955295038
Energy: 0.7570290373239171
Energy: 1.18258049552768
Energy: 1.5494442063873322
Energy: 1.2451526730331035
Energy: 0.7915446258660801
Energy: 1.2451526730331035
Energy: 1.2318289453879205
Energy: 1.326344526442125
Energy: 0.7545000332268932
Energy: 1.3263445264403009
Energy: 1.4588130073288257
Energy: 1.3284416003608353
Energy: 0.7926325265494978
Energy: 1.3284416003596193
Energy: 1.1843607868512513
Energy: 1.182596389046355
Energy: 0.7583920653552454
Energy: 1.1825963890457472
Energy: 1.4181374657059491
Energy: 1.2464475821163898
Energy: 0.7933227440264945
Energy: 1.246447582115174
Energy: 0.9129123668857675
Energy: 1.3284529450350204
Energy: 0.9640928291838909
Energy: 1.3284529450368443
Energy: 1.1522461144387135
Energy: 1.3107532316976551
Energy: 0.7954281019390786
Energy: 1.3107532316976551
Energy: 0.8697704143349204
Energy: 1.128098475357294
Energy: 1.0360730641463696
Energy: 1.1280984753579022
Energy: 1.1431813716279569
Energy: 1.2412893588036844
Energy: 0.8009139888323475
Energy: 1.2412893588036844
Energy: 0.802432210564429
Energy: 1.3277542166457335
Energy: 1.0446089601962076
Energy: 1.3277542166463414
Energy: 0.8401614119459504
Energy: 1.2652327901472393
Energy: 0.8729744440392891
Energy: 1.2652327901466314
Energy: 0.7915317152538655
Energy: 1.2124653568284187
Energy: 1.3357659403743691
Energy: 1.2124653568278105
Energy: 0.8281185997357928
Energy: 1.2738682939156132
Energy: 0.9122749926624566
Energy: 1.2738682939162214
Energy: 0.7918517294294998
Energy: 1.3279244238608334
Energy: 1.3340002402159687
Energy: 1.3279244238608334

minimum gb energy = 0.7535476412768737 eV
minimum distance =  2.24502371303555 Angstroms
sigma value = 113


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

Energy: 0.020516927260626993
Energy: 0.021419582749478455
Energy: 1.8471536305805656
Energy: 0.02141958274854365
Energy: 1.11801165960498
Energy: 0.43500192469155147
Energy: 0.4351664414619454
Energy: 0.43500192469108406
Energy: 0.020516927260626993
Energy: 0.021419582749478455
Energy: 1.8471536305933411
Energy: 0.02141958274854365
Energy: 1.11801165960498
Energy: 0.43500192469155147
Energy: 0.43516644740464694
Energy: 0.43500192469108406
Energy: 0.020516927260626993
Energy: 0.021419582749478455
Energy: 1.847153630586486
Energy: 0.02141958274854365
Energy: 1.11801165960498
Energy: 0.43500192469155147
Energy: 0.4351664352739618
Energy: 0.43500192469108406

minimum gb energy = 0.020516927260626993 eV
minimum distance =  2.48408830019028 Angstroms
sigma value = 1