Model name: model_name=MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657310605049
cohesive_energy=4.29033744093271
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.8556409774987998e-19, 2.4558483881278797e-19, 3.6251489391537603e-19, 4.0814328227506194e-19, 4.466163497873039e-19, 4.7975577128496e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.8531503342715995e-19, 6.825224395540979e-19, 6.78207777878736e-19, 6.72084258783588e-19, 6.638154251755139e-19, 6.52978302423138e-19, 6.390537852970439e-19, 6.21410616203436e-19, 5.99265330768288e-19, 5.716470099513959e-19, 5.37333192981018e-19, 4.94780983758612e-19, 4.42026113730894e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013185072551686957
Energy: 0.013471927180706599
Energy: 1.9823598718427713
Energy: 1.1093725669678467
Energy: 0.013471927180706599
Energy: 0.22657581323910864
Energy: 1.1092949355858377
Energy: 0.22657581323910864
Energy: 1.9823598718457143
Energy: 1.1092949355858377
Energy: 1.4384230585888507
Energy: 1.1092949355858377
Energy: 1.1093725669678467
Energy: 0.22657581323910864
Energy: 1.1092949355858377
Energy: 0.22657581323910864

minimum gb energy = 0.013185072551686957 eV
minimum distance =  2.43819073391849 Angstroms
sigma value = 1


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

Energy: 2.1611143231437406
Energy: 1.027592610414711
Energy: 1.1667650428285496
Energy: 1.1418199786838679
Energy: 1.863307715815145
Energy: 0.8983110020842142
Energy: 0.8986964737054008
Energy: 0.8983110020842142
Energy: 1.85196476330999
Energy: 0.8982497875016806
Energy: 0.8989696182082444
Energy: 0.8982497875016806
Energy: 1.862487716725916
Energy: 0.898167815620492
Energy: 0.8983963224426961
Energy: 0.898167815620492
Energy: 1.535065483552114
Energy: 0.9051991465298016
Energy: 1.214707876885565
Energy: 0.9051991465298016
Energy: 1.8629706970055189
Energy: 0.8975512635280901
Energy: 1.170693410137067
Energy: 0.897551263526878
Energy: 1.6703297304187412
Energy: 0.8972911362821346
Energy: 1.1734358095446988
Energy: 0.8972911362821346
Energy: 1.5409239062065165
Energy: 0.8971334778655922
Energy: 1.173143896424638
Energy: 0.8971334778655922
Energy: 1.347825310858392
Energy: 0.900006700929407
Energy: 1.579030411750449
Energy: 0.9000067009281948
Energy: 1.5395986451685821
Energy: 0.9654616663050914
Energy: 1.5499079059449719
Energy: 0.9654616663050914
Energy: 1.4933933303104332
Energy: 0.9652863813394712
Energy: 1.4428737549053294
Energy: 0.9652863813382591
Energy: 1.173933402144789
Energy: 0.8973021445343934
Energy: 1.5365963446116508
Energy: 0.8973021445343934
Energy: 1.1734018049606088
Energy: 0.8973645362300242
Energy: 1.5369808622284251
Energy: 0.8973645362300242
Energy: 1.1576390309841316
Energy: 0.8974967488880029
Energy: 1.8629705119103663
Energy: 0.8974967488880029
Energy: 1.1803445610703054
Energy: 0.9050046481241779
Energy: 1.6256931364714053
Energy: 0.9050046481241779
Energy: 0.8983684130881778
Energy: 0.8984517135563362
Energy: 1.8531471104285147
Energy: 0.8984517135563362
Energy: 0.8980121325909902
Energy: 0.8983777371600715
Energy: 1.857912538017906
Energy: 0.8983777371612837
Energy: 0.8973404055010952
Energy: 0.8978067478193609
Energy: 1.8652659300690508
Energy: 0.8978067478193609
Energy: 0.8981509224194827
Energy: 0.898868971255168
Energy: 1.7379677462887215
Energy: 0.8988689712563801
Energy: 0.9804817245030888
Energy: 0.8981299688419994
Energy: 1.8554504602885296
Energy: 0.8981299688432115
Energy: 0.997235089284982
Energy: 0.8980589664688534
Energy: 1.8611508634277736
Energy: 0.8980589664700657
Energy: 0.9975729476187772
Energy: 0.89744826602747
Energy: 1.7413771264282125
Energy: 0.8974482660262578
Energy: 1.0035622539042142
Energy: 0.8980218944362128
Energy: 1.5350769569207618
Energy: 0.8980218944362128
Energy: 1.3516977228348115
Energy: 0.8979710426580243
Energy: 1.7415095955701896
Energy: 0.8979710426580243
Energy: 1.3496253387191959
Energy: 0.8987077367307437
Energy: 1.7413395880463725
Energy: 0.8987077367319558
Energy: 1.3511560086469738
Energy: 0.968832994705628
Energy: 1.348653051081969
Energy: 0.9688329947068401
Energy: 1.3497825782207635
Energy: 0.9669043464493174
Energy: 1.3489771266858268
Energy: 0.9669043464493174
Energy: 1.7417241326784163
Energy: 0.8976231578780957
Energy: 1.350616936189221
Energy: 0.8976231578780957
Energy: 1.6268351549385456
Energy: 0.8975591983376743
Energy: 1.361356068967655
Energy: 0.8975591983376743
Energy: 1.6258404686340622
Energy: 0.8975883115067085
Energy: 0.9971944901829801
Energy: 0.8975883115067085
Energy: 1.7421591617372685
Energy: 0.8978039521120934
Energy: 1.025101924384136
Energy: 0.8978039521120934
Energy: 1.8612140262003587
Energy: 0.8980902662460334
Energy: 0.9832649822472652
Energy: 0.8980902662460334
Energy: 1.8490595084031072
Energy: 0.8980145924368291
Energy: 0.9809798486036131
Energy: 0.8980145924368291

minimum gb energy = 0.8971334778655922 eV
minimum distance =  2.34896805015976 Angstroms
sigma value = 1


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

Energy: 2.4334351160466974
Energy: 1.1141197227358093
Energy: 0.9317404443027322
Energy: 1.0568568810466876
Energy: 1.7637022395945183
Energy: 0.9317632215772458
Energy: 0.930783885138431
Energy: 0.9317632215786278
Energy: 1.7826774882227843
Energy: 0.9310816830632677
Energy: 0.9297476997213061
Energy: 0.9310816830632677
Energy: 1.7838802979537476
Energy: 0.9317162164766667
Energy: 0.931404465511786
Energy: 0.9317162164780488
Energy: 1.547287518174833
Energy: 0.9317022383318125
Energy: 1.1269633156206396
Energy: 0.9317022383331948
Energy: 1.783856868101998
Energy: 0.9312095605931375
Energy: 1.1255183619696414
Energy: 0.9312095605931375
Energy: 1.7838461058388808
Energy: 0.9320870152403922
Energy: 1.1433155414206344
Energy: 0.9320870152403922
Energy: 1.5499740531928643
Energy: 0.933941628927627
Energy: 1.1423889120463415
Energy: 0.933941628927627
Energy: 1.549755519936676
Energy: 1.0141870671740478
Energy: 1.394443253649192
Energy: 1.0141870671726971
Energy: 1.5496588745537727
Energy: 1.0151136646562016
Energy: 1.5485794987335195
Energy: 1.0151136646562016
Energy: 1.549373627920611
Energy: 1.0142370236040308
Energy: 1.3235754984014658
Energy: 1.0142370236040308
Energy: 1.1426135567254203
Energy: 0.9322358316893353
Energy: 1.3257536734411737
Energy: 0.9322358316907174
Energy: 1.142455649748952
Energy: 0.930848496690713
Energy: 1.5492053176844924
Energy: 0.930848496690713
Energy: 1.1269890715273214
Energy: 0.9315675556935783
Energy: 1.7843662586207845
Energy: 0.9315675556935783
Energy: 1.1270528271964817
Energy: 0.9316959275845276
Energy: 1.7641045095424313
Energy: 0.9316959275845276
Energy: 0.930149055451817
Energy: 0.9312624982759531
Energy: 1.7637656257027305
Energy: 0.931262498274571
Energy: 0.9304114471391677
Energy: 0.9308283095966087
Energy: 1.7837986720790102
Energy: 0.9308283095966087
Energy: 0.9304284209087477
Energy: 0.9321247135807721
Energy: 1.7840585749460416
Energy: 0.93212471357939
Energy: 0.9308630804676977
Energy: 0.9316385246867986
Energy: 1.5473597925325764
Energy: 0.9316385246854164
Energy: 1.1262037745473887
Energy: 0.9315367098266455
Energy: 1.7839774778417166
Energy: 0.9315367098266455
Energy: 1.1422933426902369
Energy: 0.9313850575108615
Energy: 1.7828289816690122
Energy: 0.9313850575122437
Energy: 1.1421584681670804
Energy: 0.9332071578769529
Energy: 1.5494152548985942
Energy: 0.9332071578769529
Energy: 1.1426802268597476
Energy: 1.013856269458101
Energy: 1.5500187150125002
Energy: 1.013856269458101
Energy: 1.5490471840960682
Energy: 1.0146464956139214
Energy: 1.5487999572131317
Energy: 1.0146464956139214
Energy: 1.3239025675985794
Energy: 1.015810558062158
Energy: 1.5511069303301461
Energy: 1.0158105580635397
Energy: 1.3239393926280991
Energy: 0.9318508394474676
Energy: 1.1903234221147991
Energy: 0.9318508394474676
Energy: 1.5493733114883919
Energy: 0.9311654442021546
Energy: 1.142189223688731
Energy: 0.9311654442035366
Energy: 1.7840153644626584
Energy: 0.9314269432430101
Energy: 1.1268171893624255
Energy: 0.9314269432430101
Energy: 1.7641970079165339
Energy: 0.9317012218052726
Energy: 1.1274297137869393
Energy: 0.9317012218052726

minimum gb energy = 0.9297476997213061 eV
minimum distance =  2.35684515928335 Angstroms
sigma value = 25


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

Energy: 2.29113224028952
Energy: 1.1152586775707807
Energy: 0.9940321092996712
Energy: 0.9941278882385288
Energy: 1.665135949828846
Energy: 0.9936496921522774
Energy: 0.993900042800013
Energy: 0.993649692153884
Energy: 1.6803562735041528
Energy: 0.9928337885783451
Energy: 0.9928260225517155
Energy: 0.9928337885783451
Energy: 1.6803388712145144
Energy: 0.9937348052193192
Energy: 0.9933843550165622
Energy: 0.9937348052193192
Energy: 1.5640930852320145
Energy: 1.0183845321321365
Energy: 1.3052256793201757
Energy: 1.0183845321321365
Energy: 1.6787438692647898
Energy: 0.9942626039632425
Energy: 1.318488873875499
Energy: 0.9942626039616359
Energy: 1.6802749339993261
Energy: 1.0820119209506056
Energy: 1.3559993687902194
Energy: 1.0820119209506056
Energy: 1.3546347762654263
Energy: 1.083254874620677
Energy: 1.351412963906822
Energy: 1.083254874620677
Energy: 1.3562580338788124
Energy: 1.0837142716315533
Energy: 1.4821291926783309
Energy: 1.0837142716315533
Energy: 1.3190896410679853
Energy: 1.0104224895542286
Energy: 1.6797889853718053
Energy: 1.0104224895542286
Energy: 1.3331049135442106
Energy: 1.018264036730496
Energy: 1.6790093630692255
Energy: 1.018264036730496
Energy: 0.9928889687415835
Energy: 0.99373723810528
Energy: 1.714564794663406
Energy: 0.99373723810528
Energy: 0.9922457038929778
Energy: 0.9928508134642001
Energy: 1.6809786279811711
Energy: 0.9928508134642001
Energy: 0.9936450136272468
Energy: 1.0368153026642324
Energy: 1.6801009741006578
Energy: 1.0368153026642324
Energy: 0.9923846640223849
Energy: 0.9958659340046002
Energy: 1.5631439290321079
Energy: 0.9958659340046002
Energy: 1.1100690217562412
Energy: 0.993908414334813
Energy: 1.6777334661972776
Energy: 0.993908414334813
Energy: 1.1285528729769998
Energy: 0.9930115489135484
Energy: 1.6846824153618063
Energy: 0.9930115489119418
Energy: 1.1287954271311618
Energy: 0.9935710800384384
Energy: 1.5604682496327127
Energy: 0.9935710800384384
Energy: 1.1470595117466837
Energy: 0.9931313108398216
Energy: 1.3536072662066405
Energy: 0.9931313108398216
Energy: 1.5606132411302602
Energy: 1.0858660504858118
Energy: 1.5612017084243088
Energy: 1.0858660504858118
Energy: 1.4476060268304496
Energy: 0.993370404460104
Energy: 1.5609845525409018
Energy: 0.993370404460104
Energy: 1.4476832465621146
Energy: 0.9930562342009916
Energy: 1.1588790658824537
Energy: 0.9930562342025984
Energy: 1.5612731391324683
Energy: 0.9933115064844169
Energy: 1.1711371348086006
Energy: 0.9933115064844169
Energy: 1.6839953189997878
Energy: 0.9934992361550755
Energy: 1.1229197483209408
Energy: 0.9934992361550755
Energy: 1.677133915121304
Energy: 0.99399560524243
Energy: 1.0955830322457993
Energy: 0.99399560524243

minimum gb energy = 0.9922457038929778 eV
minimum distance =  2.34243184047439 Angstroms
sigma value = 9


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

Energy: 2.031953774986614
Energy: 1.2071236531179061
Energy: 1.02267800813819
Energy: 1.0230438980054315
Energy: 1.5350339562403401
Energy: 1.0926275599449342
Energy: 1.023117117579724
Energy: 1.0926275599449342
Energy: 1.5675297999664854
Energy: 1.0230855924120446
Energy: 1.0194667817031513
Energy: 1.0230855924120446
Energy: 1.5657706992923404
Energy: 1.020821862871159
Energy: 1.020310739797122
Energy: 1.0208218628715509
Energy: 1.3071039979560668
Energy: 1.0243338760785683
Energy: 1.2742231122557257
Energy: 1.0243338760785683
Energy: 1.5656067453478144
Energy: 1.0913717377869747
Energy: 1.2751310872555002
Energy: 1.0913717377869747
Energy: 1.5650136144882743
Energy: 1.0203422155823032
Energy: 1.0045991834089614
Energy: 1.0203422155811488
Energy: 1.3173529829139685
Energy: 1.1416497986653138
Energy: 1.315057213343968
Energy: 1.14164979866551
Energy: 1.3164201531305637
Energy: 1.1425369270283077
Energy: 1.5657213799512055
Energy: 1.1425369270286996
Energy: 1.3651103059860967
Energy: 1.0205528861574336
Energy: 1.5654318951529578
Energy: 1.0205528861576296
Energy: 1.2750763399808909
Energy: 1.0239117166430756
Energy: 1.5335098459935053
Energy: 1.0239117166428793
Energy: 1.0197982200083378
Energy: 1.0206351245881367
Energy: 1.5356129788115058
Energy: 1.0206351245879406
Energy: 1.0225014358789672
Energy: 1.0230359274707606
Energy: 1.5665473827338559
Energy: 1.0230359274705643
Energy: 1.0229793729554153
Energy: 1.0934315951449116
Energy: 1.5658472075325398
Energy: 1.0934315951449116
Energy: 1.0233268804469124
Energy: 1.0242486699559048
Energy: 1.3075885523429025
Energy: 1.024248669956079
Energy: 1.2772396802940957
Energy: 1.0903621753290684
Energy: 1.56587246323302
Energy: 1.0903621753286763
Energy: 1.0039311988717565
Energy: 1.0211542779609397
Energy: 1.5657646684602269
Energy: 1.0211542779605696
Energy: 1.003984935083131
Energy: 1.1425668176230332
Energy: 1.365155580745541
Energy: 1.1425668176228372
Energy: 1.3159261249681622
Energy: 1.1426976861464093
Energy: 1.3154101402163823
Energy: 1.1426976861462135
Energy: 1.5663537383515578
Energy: 1.142222521451181
Energy: 1.3662047472561938
Energy: 1.142222521451181
Energy: 1.535012204331563
Energy: 1.0233767555955346
Energy: 1.2748273925569638
Energy: 1.0233767555955346

minimum gb energy = 1.0039311988717565 eV
minimum distance =  2.35640402132496 Angstroms
sigma value = 25


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

Energy: 1.7810625417878894
Energy: 1.1478821777110133
Energy: 1.1272426000968614
Energy: 1.1265164019278973
Energy: 1.3770242777742392
Energy: 1.228467215584137
Energy: 1.228828530451569
Energy: 1.2284672155838947
Energy: 1.3803395237861793
Energy: 1.1258704415843912
Energy: 1.1240774889309983
Energy: 1.1258704415843912
Energy: 1.4298855934903225
Energy: 1.141686716069091
Energy: 1.1408036145702911
Energy: 1.1416867160695758
Energy: 1.3131829123909347
Energy: 1.163722631433943
Energy: 1.3795094010509614
Energy: 1.1637226314341858
Energy: 1.381527786541851
Energy: 1.1945502972696995
Energy: 1.3812938485006123
Energy: 1.194550297269942
Energy: 1.3789478994085973
Energy: 1.1649050370517315
Energy: 1.4445624847781346
Energy: 1.1649050370517315
Energy: 1.124577116829185
Energy: 1.126132455658898
Energy: 1.445302758010367
Energy: 1.1261324556579553
Energy: 1.123710712719011
Energy: 1.1250350495193775
Energy: 1.4309456656047908
Energy: 1.125035049519135
Energy: 1.2285375460425376
Energy: 1.1557714310514176
Energy: 1.4334162952290042
Energy: 1.1557714310518752
Energy: 1.1388170510314206
Energy: 1.1263473667910808
Energy: 1.4252511119808327
Energy: 1.1263473667910808
Energy: 1.2669613136914648
Energy: 1.1548467462436354
Energy: 1.4262293540177888
Energy: 1.1548467462436354
Energy: 1.318389681715382
Energy: 1.1250076744638904
Energy: 1.4311512556252257
Energy: 1.125007674463648
Energy: 1.3183583645782373
Energy: 1.1252996623864817
Energy: 1.3214648217756824
Energy: 1.1252996623862395
Energy: 1.3812995720431323
Energy: 1.1258631575624418
Energy: 1.3187204713529919
Energy: 1.1258631575626843
Energy: 1.431798307402842
Energy: 1.1262516803354288
Energy: 1.3803201946687726
Energy: 1.1262516803347284
Energy: 1.3767257266662383
Energy: 1.125949734212846
Energy: 1.2665824337185139
Energy: 1.1259497342135463

minimum gb energy = 1.123710712719011 eV
minimum distance =  2.31966653249466 Angstroms
sigma value = 17


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

Energy: 1.6286212015818586
Energy: 1.185738271901849
Energy: 1.1988484042998537
Energy: 1.1996055225673832
Energy: 1.3670948794500692
Energy: 1.3152021671675667
Energy: 1.3152863880216983
Energy: 1.3152021671675667
Energy: 1.391229180504087
Energy: 1.1972826605310303
Energy: 1.1968568840844043
Energy: 1.1972826605310303
Energy: 1.383336747775384
Energy: 1.2011293677329515
Energy: 1.2012581756909206
Energy: 1.2011293677329515
Energy: 1.3812258142422902
Energy: 1.2311067130748663
Energy: 1.3801284947111374
Energy: 1.2311067130748663
Energy: 1.3912313326933903
Energy: 1.1671709615188173
Energy: 1.3818901854781034
Energy: 1.1671709615188173
Energy: 1.341498867981456
Energy: 1.166016169875677
Energy: 1.3765831775812072
Energy: 1.1660161698743345
Energy: 1.2211877725181002
Energy: 1.2215052678999396
Energy: 1.4043781410474305
Energy: 1.2215052678999396
Energy: 1.1798826588752793
Energy: 1.1651485825524341
Energy: 1.3908329343260566
Energy: 1.1651485825524341
Energy: 1.1852379577055911
Energy: 1.179514872188253
Energy: 1.3905625177112366
Energy: 1.1795148721869104
Energy: 1.1893355050649805
Energy: 1.1683761065084828
Energy: 1.3778579935258193
Energy: 1.1683761065084828
Energy: 1.3884626933821997
Energy: 1.1870630075943016
Energy: 1.3924165391377912
Energy: 1.1870630075943016
Energy: 1.3793945452590866
Energy: 1.187054851605357
Energy: 1.3871386486540611
Energy: 1.187054851605357
Energy: 1.3794612839218503
Energy: 1.166265758277346
Energy: 1.187953482711476
Energy: 1.1662657582760034
Energy: 1.3908406056458058
Energy: 1.1657080287286177
Energy: 1.184417700797005
Energy: 1.16570802872996
Energy: 1.3907648507581514
Energy: 1.1659782470863174
Energy: 1.2033249156340382
Energy: 1.1659782470863174
Energy: 1.3956906865236227
Energy: 1.1657690087314831
Energy: 1.1783096892499478
Energy: 1.1657690087314831
Energy: 1.3957191205048625
Energy: 1.1789646865742307
Energy: 1.3547309656542292
Energy: 1.1789646865742307
Energy: 1.3813674047896256
Energy: 1.1659461766375905
Energy: 1.3794086153056508
Energy: 1.1659461766375905
Energy: 1.269765335425724
Energy: 1.2300041335685183
Energy: 1.3672330572377343
Energy: 1.2300041335685183
Energy: 1.2006792964881898
Energy: 1.2007683692204798
Energy: 1.3777944226541436
Energy: 1.200768369219137
Energy: 1.1983956976753185
Energy: 1.1975552266675773
Energy: 1.3782674719303099
Energy: 1.1975552266675773
Energy: 1.3162732778063375
Energy: 1.3151118696518276
Energy: 1.389544898792815
Energy: 1.3151118696531703
Energy: 1.263750586137305
Energy: 1.198235761283036
Energy: 1.3950208346996653
Energy: 1.198235761283036
Energy: 1.3637338117261557
Energy: 1.1980664556448046
Energy: 1.3782674849018888
Energy: 1.1980664556461469
Energy: 1.2995506826539382
Energy: 1.1970169339293926
Energy: 1.379273540388725
Energy: 1.19701693392805
Energy: 1.3279269456919538
Energy: 1.2325785808682341
Energy: 1.303881276614517
Energy: 1.2325785808682341
Energy: 1.392038853217577
Energy: 1.197227360605817
Energy: 1.2996855642128486
Energy: 1.1972273606071593
Energy: 1.3785250447033817
Energy: 1.2139810326496638
Energy: 1.42118623050636
Energy: 1.213981032651006
Energy: 1.4011285174931851
Energy: 1.19806947301471
Energy: 1.2492799017095118
Energy: 1.1980694730160524

minimum gb energy = 1.1651485825524341 eV
minimum distance =  2.30093232760813 Angstroms
sigma value = 53


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

Energy: 1.1372157794994913
Energy: 1.1467990491185305
Energy: 1.229106851636186
Energy: 1.1731801229661531
Energy: 1.140211539397293
Energy: 1.1741779138139297
Energy: 1.2240958435437006
Energy: 1.1741779138132973
Energy: 1.3158372529267093
Energy: 1.181380353027597
Energy: 1.2223336144271792
Energy: 1.1813803530279132
Energy: 1.3069961174385771
Energy: 1.2255750068824363
Energy: 1.3025415980572084
Energy: 1.2255750068815232
Energy: 1.3127638722652017
Energy: 1.1768786845777248
Energy: 1.2222943883040749
Energy: 1.1768786845777248
Energy: 1.3046974602026944
Energy: 1.172395879709804
Energy: 1.3060975164842958
Energy: 1.1723958797101202
Energy: 1.3110318710551554
Energy: 1.1768276273651412
Energy: 1.140614335083367
Energy: 1.1768276273935532
Energy: 1.2221405584688527
Energy: 1.1781263149894583
Energy: 1.141741852414307
Energy: 1.1781263149894583
Energy: 1.22455234586741
Energy: 1.1773296378748417
Energy: 1.3112236357169276
Energy: 1.1773296378745257
Energy: 1.2223481975528212
Energy: 1.1838421470998441
Energy: 1.305714345930482
Energy: 1.1838421470998441
Energy: 1.2230587067940246
Energy: 1.1720589142060482
Energy: 1.3127089343893346
Energy: 1.1720589142060482
Energy: 1.3071428986521996
Energy: 1.225097570497
Energy: 1.3074403243409374
Energy: 1.2250975704966842
Energy: 1.1412160685635502
Energy: 1.1780340716902438
Energy: 1.3126479910743316
Energy: 1.17803407169056

minimum gb energy = 1.1372157794994913 eV
minimum distance =  2.30922501173019 Angstroms
sigma value = 9


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

Energy: 2.016741546280769
Energy: 1.3609437297393356
Energy: 1.4088740258646943
Energy: 1.395297153056926
Energy: 1.4756621905300533
Energy: 1.3659692073308551
Energy: 1.4386216175586473
Energy: 1.3659692073308551
Energy: 1.3591913421821957
Energy: 1.3231801356582988
Energy: 1.357112279992548
Energy: 1.323180135657155
Energy: 1.359103391220664
Energy: 1.3266942855645374
Energy: 1.3402804090969043
Energy: 1.3266942855645374
Energy: 1.3388000222275342
Energy: 1.3224213058607726
Energy: 1.3738490312105307
Energy: 1.3224213058630603
Energy: 1.4262841417856944
Energy: 1.3503485018100978
Energy: 1.4138551240143633
Energy: 1.3503485018100978
Energy: 1.4385150455745541
Energy: 1.4395396212927978
Energy: 1.6432589434211133
Energy: 1.4395396212939415
Energy: 1.5339476499085265
Energy: 1.43819109002793
Energy: 1.6432304428163271
Energy: 1.43819109002793
Energy: 1.521045386579698
Energy: 1.2604232672292077
Energy: 1.4416817998213087
Energy: 1.2604232672303517
Energy: 1.40291731585779
Energy: 1.26030326295098
Energy: 1.2608797481286145
Energy: 1.26030326295098
Energy: 1.50560601736179
Energy: 1.2615028676553206
Energy: 1.258289775505152
Energy: 1.2615028676541766
Energy: 1.4575441482102276
Energy: 1.3397559318325747
Energy: 1.3324660039125151
Energy: 1.339755931831431
Energy: 1.5818791065615183
Energy: 1.3282313014316272
Energy: 1.3278947378555406
Energy: 1.3282313014304832
Energy: 1.5813655327985228
Energy: 1.3283891907111782
Energy: 1.527860080583001
Energy: 1.3283891907111782
Energy: 1.4807877099552607
Energy: 1.2640618146303335
Energy: 1.5268863746522403
Energy: 1.2640618146314775
Energy: 1.348549379200995
Energy: 1.250164667443971
Energy: 1.554847818909624
Energy: 1.250164667443971
Energy: 1.2489278541293638
Energy: 1.249760289961527
Energy: 1.6043291139701379
Energy: 1.249760289961527
Energy: 1.3269982691929618
Energy: 1.327616574423419
Energy: 1.5502288174212635
Energy: 1.327616574423419
Energy: 1.269734972397727
Energy: 1.272075436894303
Energy: 1.6468018317093613
Energy: 1.2720754368920153
Energy: 1.3729291958253464
Energy: 1.2994825559052718
Energy: 1.6003884935848367
Energy: 1.2994825559029841
Energy: 1.4942154932974467
Energy: 1.2815276221639658
Energy: 1.493694748145239
Energy: 1.281527622162822
Energy: 1.5271281446430995
Energy: 1.272177055989088
Energy: 1.4929125381072466
Energy: 1.272177055989088
Energy: 1.5236159233448197
Energy: 1.272183839007636
Energy: 1.2715767147961408
Energy: 1.2721838390099238
Energy: 1.5285200748731966
Energy: 1.2972726220406225
Energy: 1.2721611610677193
Energy: 1.2972726220394786
Energy: 1.6073621702652803
Energy: 1.2501491925182335
Energy: 1.2473832455030374
Energy: 1.2501491925170898
Energy: 1.480725516596982
Energy: 1.2499855073704682
Energy: 1.2502201907411699
Energy: 1.2499855073693245
Energy: 1.5493981021046181
Energy: 1.249415195525427
Energy: 1.5000353916169522
Energy: 1.2494151955277146
Energy: 1.5262663861198962
Energy: 1.3340550024248599
Energy: 1.614314343873212
Energy: 1.3340550024248599
Energy: 1.3273031830661728
Energy: 1.3385417623930242
Energy: 1.6454061524198518
Energy: 1.338541762394168
Energy: 1.3267517765538908
Energy: 1.3775290423121125
Energy: 1.5618693771445036
Energy: 1.3775290423121125
Energy: 1.259940674416689
Energy: 1.330337251893928
Energy: 1.5142569644676473
Energy: 1.3303372518927843
Energy: 1.2606969379083024
Energy: 1.261350015328426
Energy: 1.4924324233961248
Energy: 1.261350015328426
Energy: 1.2596701334091416
Energy: 1.2611068468532807
Energy: 1.4818845228356385
Energy: 1.261106846852137
Energy: 1.424829428186903
Energy: 1.3509048157876282
Energy: 1.52324909913586
Energy: 1.3509048157876282
Energy: 1.6446356857733815
Energy: 1.4219205246499038
Energy: 1.4837504401401975
Energy: 1.4219205246521915

minimum gb energy = 1.2473832455030374 eV
minimum distance =  2.28870681624918 Angstroms
sigma value = 73


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

Energy: 1.7859495635491878
Energy: 1.3797638937881305
Energy: 1.4163368069982323
Energy: 1.4127263688620493
Energy: 1.5227120448311586
Energy: 1.3481172459758923
Energy: 1.4276123177527877
Energy: 1.3481172459758923
Energy: 1.3618611147982045
Energy: 1.3175769951998495
Energy: 1.3614899352745615
Energy: 1.3175769951996639
Energy: 1.3622327142023891
Energy: 1.3193962049200303
Energy: 1.35790455596321
Energy: 1.319396204920216
Energy: 1.3550852813607055
Energy: 1.3290361085632991
Energy: 1.3823405661621095
Energy: 1.3290361085632991
Energy: 1.4128351450256778
Energy: 1.3604050942975672
Energy: 1.4606557354788927
Energy: 1.3604050942977322
Energy: 1.428555621778436
Energy: 1.4293911340267174
Energy: 1.589930890581607
Energy: 1.4293911340270884
Energy: 1.5746426951638153
Energy: 1.4287637032515763
Energy: 1.5895351338742412
Energy: 1.428763703251205
Energy: 1.5613319910913306
Energy: 1.2457241142650384
Energy: 1.4583467485589103
Energy: 1.2457241142654094
Energy: 1.4503392671265056
Energy: 1.2469594689220067
Energy: 1.2463409397846144
Energy: 1.246959468921821
Energy: 1.5606249019662426
Energy: 1.2459013278091462
Energy: 1.2407179742681542
Energy: 1.2459013278098885
Energy: 1.5277139644731028
Energy: 1.3758665346597925
Energy: 1.2722396169010406
Energy: 1.3758665346601637
Energy: 1.5547609170513037
Energy: 1.272640641779951
Energy: 1.2700370582102198
Energy: 1.2726406417801366
Energy: 1.5541363125161647
Energy: 1.2716338224523354
Energy: 1.510894993619527
Energy: 1.271633822452521
Energy: 1.5670786515441215
Energy: 1.3334326342050606
Energy: 1.567837860047479
Energy: 1.3334326342050606
Energy: 1.5946647681859247
Energy: 1.2705002110893158
Energy: 1.640772300892234
Energy: 1.2705002110893158
Energy: 1.2722023669095117
Energy: 1.2723111915859888
Energy: 1.639177558913185
Energy: 1.2723111915859888
Energy: 1.2897757300411927
Energy: 1.342820162001662
Energy: 1.4986473785548615
Energy: 1.342820162001662
Energy: 1.2430642779670509
Energy: 1.2462461590030065
Energy: 1.5692799875385977
Energy: 1.2462461590037281
Energy: 1.245521695933772
Energy: 1.2444334184030497
Energy: 1.5637912460712602
Energy: 1.2444334184030497
Energy: 1.4606788285881385
Energy: 1.2453405648554834
Energy: 1.565581723380245
Energy: 1.2453405648552978
Energy: 1.6376199216025251
Energy: 1.4398387436265376
Energy: 1.5750414751205455
Energy: 1.4398387436270945

minimum gb energy = 1.2407179742681542 eV
minimum distance =  2.29603576983665 Angstroms
sigma value = 7


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

Energy: 2.4214683067205742
Energy: 1.3123184934402767
Energy: 1.410833131163309
Energy: 1.4101360104738243
Energy: 1.6809382856380974
Energy: 1.3125091476924988
Energy: 1.4364849624164593
Energy: 1.3125091476924988
Energy: 1.4750755204689543
Energy: 1.294201249459859
Energy: 1.3741713377217624
Energy: 1.294201249459859
Energy: 1.3749807741550863
Energy: 1.2946029394986276
Energy: 1.3713910999770733
Energy: 1.2946029394973442
Energy: 1.3730015196866536
Energy: 1.2976870967628158
Energy: 1.3779465774980744
Energy: 1.2976870967628158
Energy: 1.4058852139613327
Energy: 1.3127402666861994
Energy: 1.4746234698713816
Energy: 1.3127402666861994
Energy: 1.438807342351825
Energy: 1.4402768561985597
Energy: 1.6574738802276139
Energy: 1.4402768561985597
Energy: 1.6438299700549739
Energy: 1.4387757107911765
Energy: 1.6574391057239364
Energy: 1.4387757107911765
Energy: 1.6108817252536594
Energy: 1.258409516796576
Energy: 1.5582441106450555
Energy: 1.258409516796576
Energy: 1.49692836086201
Energy: 1.2631331761679256
Energy: 1.2592027115161097
Energy: 1.2631331761679256
Energy: 1.6096421999811608
Energy: 1.2586643812730811
Energy: 1.254770203409458
Energy: 1.2586643812730811
Energy: 1.5523738915120353
Energy: 1.2648639838677351
Energy: 1.2588584163880705
Energy: 1.2648639838664517
Energy: 1.611156635903805
Energy: 1.2591943650937805
Energy: 1.2594868971738666
Energy: 1.259194365092497
Energy: 1.6112940359015036
Energy: 1.2602381459478875
Energy: 1.4531659453895913
Energy: 1.2602381459466043
Energy: 1.6460646636573995
Energy: 1.311581569532522
Energy: 1.559010863836699
Energy: 1.3115815695312385
Energy: 1.6294437077282435
Energy: 1.4591257057852345
Energy: 1.6806491217894053
Energy: 1.459125705783951
Energy: 1.4386177729184717
Energy: 1.313003916244179
Energy: 1.6810921191300179
Energy: 1.313003916244179
Energy: 1.3936871331706007
Energy: 1.2983455589626858
Energy: 1.4745930069418693
Energy: 1.2983455589626858
Energy: 1.3758537044585606
Energy: 1.2989067993645427
Energy: 1.37743516940306
Energy: 1.2989067993645427
Energy: 1.3769262854353583
Energy: 1.2990738083096132
Energy: 1.3775187381664655
Energy: 1.2990738083096132
Energy: 1.475222283494461
Energy: 1.2978675698597437
Energy: 1.4079432116346167
Energy: 1.2978675698597437
Energy: 1.6573799704479015
Energy: 1.4391420287251646
Energy: 1.4401687496834863
Energy: 1.4391420287238812
Energy: 1.6573949125617575
Energy: 1.4395595665617742
Energy: 1.6468613638392793
Energy: 1.4395595665617742
Energy: 1.558734795199297
Energy: 1.2581684980817258
Energy: 1.622388491703396
Energy: 1.2581684980817258
Energy: 1.4532077824030576
Energy: 1.2634101561857487
Energy: 1.4967200318830147
Energy: 1.2634101561857487
Energy: 1.255906227180535
Energy: 1.2586632065824892
Energy: 1.494495144022181
Energy: 1.2586632065824892
Energy: 1.2595127700062838
Energy: 1.264160670055822
Energy: 1.5480353043432755
Energy: 1.264160670055822
Energy: 1.256254177041338
Energy: 1.2588067241105396
Energy: 1.6109349633057313
Energy: 1.2588067241105396
Energy: 1.259165387939194
Energy: 1.2606746751127837
Energy: 1.610510655874254
Energy: 1.2606746751127837
Energy: 1.5592817270450763
Energy: 1.25845087249984
Energy: 1.6227071992805813
Energy: 1.25845087249984
Energy: 1.6809547675260106
Energy: 1.3124442268977525
Energy: 1.6264746904229663
Energy: 1.3124442268964693

minimum gb energy = 1.254770203409458 eV
minimum distance =  2.2986021491421 Angstroms
sigma value = 29


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

Energy: 1.698212724470635
Energy: 1.1413664644478954
Energy: 1.3135340478858468
Energy: 1.3136598791928544
Energy: 1.4870427603926266
Energy: 1.2001860870810652
Energy: 1.3138208111419964
Energy: 1.2001860870810652
Energy: 1.3239620660366789
Energy: 1.1967361235943814
Energy: 1.3175082097762323
Energy: 1.1967361235943814
Energy: 1.3170768528041512
Energy: 1.193433019707899
Energy: 1.1124811612796268
Energy: 1.193433019707899
Energy: 1.3191649711038367
Energy: 1.1911670398854746
Energy: 1.3557902106155435
Energy: 1.1911670398850276
Energy: 1.3108666613073974
Energy: 1.191196541232162
Energy: 1.3568311547251122
Energy: 1.191196541232162
Energy: 1.372218148775914
Energy: 1.3710390352262138
Energy: 1.3056586955753255
Energy: 1.3710390352266608
Energy: 1.3689207277576199
Energy: 1.200870521721826
Energy: 1.3775292567059374
Energy: 1.200870521721826
Energy: 1.4880580423814649
Energy: 1.2008044588120332
Energy: 1.3551486734379885
Energy: 1.2008044588120332

minimum gb energy = 1.1124811612796268 eV
minimum distance =  2.36281051505059 Angstroms
sigma value = 5


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

Energy: 1.6711818568582086
Energy: 1.528274098285812
Energy: 1.4947634091248136
Energy: 1.5807992246899996
Energy: 1.2898558433790484
Energy: 1.2193040971670321
Energy: 1.4678328977863424
Energy: 1.219304097168244
Energy: 1.2123770402146268
Energy: 1.2151094644101108
Energy: 1.416629238272239
Energy: 1.2151094644101108
Energy: 1.2075674772733618
Energy: 1.21685859170684
Energy: 1.4484541101481891
Energy: 1.216858591708052
Energy: 1.2090529271228527
Energy: 1.2176552206719262
Energy: 1.289461848224858
Energy: 1.217655220670714
Energy: 1.2347634611564084
Energy: 1.2458437858933016
Energy: 1.3176476752010307
Energy: 1.2458437858933016
Energy: 1.233943231534356
Energy: 1.2464266296778874
Energy: 1.3983264376933604
Energy: 1.2464266296778874
Energy: 1.2384102622424602
Energy: 1.2433661395932538
Energy: 1.3974667941047634
Energy: 1.2433661395944664
Energy: 1.238474605151267
Energy: 1.2446724787141354
Energy: 1.3616748228058884
Energy: 1.244672478712923
Energy: 1.4126883632154785
Energy: 1.4385356732456296
Energy: 1.5146454889195546
Energy: 1.4385356732468415
Energy: 1.2388721239546425
Energy: 1.2646569229642393
Energy: 1.452983035918695
Energy: 1.2646569229642393
Energy: 1.5267939697964088
Energy: 1.292557295923823
Energy: 1.3826423343687648
Energy: 1.2925572959250353
Energy: 1.4174004647448262
Energy: 1.35777828001271
Energy: 1.3861001585578465
Energy: 1.35777828001271
Energy: 1.2520930261725716
Energy: 1.2464641120372641
Energy: 1.238368608188619
Energy: 1.2464641120384763
Energy: 1.3979389727052403
Energy: 1.2455272543213258
Energy: 1.2378311931903625
Energy: 1.2455272543213258
Energy: 1.3957031530249495
Energy: 1.2436786971356921
Energy: 1.2381414485500128
Energy: 1.24367869713448
Energy: 1.2891693241469828
Energy: 1.2479104843172126
Energy: 1.2377445387912094
Energy: 1.2479104843172126
Energy: 1.4213619133293656
Energy: 1.215197555636716
Energy: 1.2075225490730357
Energy: 1.2151975556391403
Energy: 1.4204104588143198
Energy: 1.2558079121122483
Energy: 1.2113924481914389
Energy: 1.2558079121134604
Energy: 1.4168570472214992
Energy: 1.216352181411444
Energy: 1.2121730578700531
Energy: 1.216352181411444
Energy: 1.5695264936408675
Energy: 1.3301592475145512
Energy: 1.3200114162654049
Energy: 1.3301592475157633
Energy: 1.677493041923075
Energy: 1.479562494149088
Energy: 1.3202402196026324
Energy: 1.4795624941478756
Energy: 1.3320068541587067
Energy: 1.2182835698479637
Energy: 1.2123006711339215
Energy: 1.2182835698479637
Energy: 1.3831344312293252
Energy: 1.2582731881117428
Energy: 1.3184573716949972
Energy: 1.2582731881117428
Energy: 1.3314167546914757
Energy: 1.2159225719323192
Energy: 1.2559105038674887
Energy: 1.2159225719323192
Energy: 1.2983686888321953
Energy: 1.261864481618929
Energy: 1.3034147882289566
Energy: 1.261864481618929
Energy: 1.2948126351664013
Energy: 1.2616399923577437
Energy: 1.2972439087361665
Energy: 1.2616399923577437
Energy: 1.2979400274470008
Energy: 1.2581383314506875
Energy: 1.294407984208783
Energy: 1.2581383314494756
Energy: 1.227358469878825
Energy: 1.2609473968595915
Energy: 1.2998951470041789
Energy: 1.2609473968608038
Energy: 1.2559143353992426
Energy: 1.256957915134483
Energy: 1.4131578778548912
Energy: 1.256957915134483
Energy: 1.3187523702919344
Energy: 1.2576731718167498
Energy: 1.41338695393672
Energy: 1.2576731718167498
Energy: 1.2132197518907282
Energy: 1.2187065899114498
Energy: 1.4326995787093635
Energy: 1.2187065899114498
Energy: 1.2476270092562802
Energy: 1.5713214234329265
Energy: 1.6229281044079777
Energy: 1.5713214234329265

minimum gb energy = 1.2075225490730357 eV
minimum distance =  2.29450895759053 Angstroms
sigma value = 1


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

Energy: 2.3529017486935246
Energy: 1.2947138488698955
Energy: 1.4787811197343472
Energy: 1.479572872599522
Energy: 1.2180973683763894
Energy: 1.1668437467398354
Energy: 1.3619986479620103
Energy: 1.1668437467398354
Energy: 1.248562200658766
Energy: 1.2487225019960704
Energy: 1.4009141814605632
Energy: 1.2487225019960704
Energy: 1.247022443312692
Energy: 1.252051023690422
Energy: 1.3144727701201733
Energy: 1.252051023690422
Energy: 1.2478601664889344
Energy: 1.2562010520040054
Energy: 1.2732210188054442
Energy: 1.2562010520040054
Energy: 1.2606536858517363
Energy: 1.2496734634443025
Energy: 1.2742136053326734
Energy: 1.2496734634443025
Energy: 1.2599796511249366
Energy: 1.2497207268436228
Energy: 1.3222386214556558
Energy: 1.2497207268436228
Energy: 1.2985016280196182
Energy: 1.2475016487283015
Energy: 1.3218373302375654
Energy: 1.2475016487299775
Energy: 1.166666778787177
Energy: 1.185057869797526
Energy: 1.327085363838921
Energy: 1.18505786979585
Energy: 1.3252433143022655
Energy: 1.5582268186777681
Energy: 1.5917548659516456
Energy: 1.5582268186777681
Energy: 1.16807733762774
Energy: 1.1857546808921093
Energy: 1.2096915675031539
Energy: 1.1857546808921093
Energy: 1.1681077442368666
Energy: 1.13835443018492
Energy: 1.209829194927325
Energy: 1.13835443018492
Energy: 1.164064348837325
Energy: 1.141706027549368
Energy: 1.209289660111282
Energy: 1.1417060275510442
Energy: 1.165681932622256
Energy: 1.1405007963703775
Energy: 1.2099303782450528
Energy: 1.1405007963687013
Energy: 1.3144960766487808
Energy: 1.3257024795015784
Energy: 1.347283269680441
Energy: 1.3257024795015784
Energy: 1.3146610991968677
Energy: 1.1886552968215292
Energy: 1.3168809925404479
Energy: 1.1886552968215292
Energy: 1.3346843389126921
Energy: 1.1897166189855337
Energy: 1.2682984801320358
Energy: 1.1897166189855337
Energy: 1.3120251879429443
Energy: 1.2563228905773012
Energy: 1.2687863487038913
Energy: 1.2563228905756254
Energy: 1.3108093590515404
Energy: 1.2596058685744176
Energy: 1.2690743412175471
Energy: 1.2596058685744176
Energy: 1.3107795035313943
Energy: 1.2598625132078027
Energy: 1.2545057030671167
Energy: 1.2598625132078027
Energy: 1.48460373197406
Energy: 1.250432644800036
Energy: 1.325180330546192
Energy: 1.250432644800036
Energy: 1.499307394649035
Energy: 1.485912250831456
Energy: 1.3253022675901918
Energy: 1.485912250831456
Energy: 1.2482880894460968
Energy: 1.2960619108351874
Energy: 1.3824073782436002
Energy: 1.2960619108351874
Energy: 1.2187176723593875
Energy: 1.3875598092447348
Energy: 1.2702512480940693
Energy: 1.3875598092447348

minimum gb energy = 1.13835443018492 eV
minimum distance =  2.28100949287174 Angstroms
sigma value = 17


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

Energy: 1.5909890266555107
Energy: 1.5283603063092055
Energy: 1.7292790078363087
Energy: 1.6342217404827495
Energy: 1.1892221722071101
Energy: 1.2193031594138617
Energy: 1.2131459554979687
Energy: 1.2193031594138617
Energy: 1.1883268457943272
Energy: 1.1905450353502045
Energy: 1.4220171322865032
Energy: 1.1905450353481326
Energy: 1.1883096793299441
Energy: 1.1927113645424832
Energy: 1.4329784447346239
Energy: 1.1927113645424832
Energy: 1.189818361134207
Energy: 1.193985502847727
Energy: 1.3305202192922518
Energy: 1.193985502846691
Energy: 1.2569634600322939
Energy: 1.21931995606171
Energy: 1.2684470425282615
Energy: 1.2193199560648178
Energy: 1.257538577415154
Energy: 1.2202193934741163
Energy: 1.256348457447942
Energy: 1.2202193934741163
Energy: 1.2727706027944912
Energy: 1.22056562872431
Energy: 1.2545724226798154
Energy: 1.220565628722238
Energy: 1.3291519839689143
Energy: 1.1910620251776205
Energy: 1.18686530392322
Energy: 1.1910620251796924
Energy: 1.3971491541002825
Energy: 1.1947236344198116
Energy: 1.19152723627501
Energy: 1.1947236344187753
Energy: 1.2128407033108253
Energy: 1.1923416148298327
Energy: 1.1885634874405309
Energy: 1.1923416148298327
Energy: 1.5000796223795978
Energy: 1.2164522227875083
Energy: 1.2130699774659972
Energy: 1.2164522227864722
Energy: 1.5172026952598197
Energy: 1.444285208590031
Energy: 1.2125055056378795
Energy: 1.444285208590031
Energy: 1.2157152021520792
Energy: 1.1973365057352068
Energy: 1.1887500103110684
Energy: 1.197336505734171
Energy: 1.4219591566683938
Energy: 1.1909666534649699
Energy: 1.2969327402407673
Energy: 1.190966653463934
Energy: 1.2242735990813698
Energy: 1.1903278059811329
Energy: 1.2624782226301559
Energy: 1.1903278059790612
Energy: 1.2153705142876337
Energy: 1.2190133314363014
Energy: 1.3238288215140044
Energy: 1.2190133314352656
Energy: 1.2146526348929283
Energy: 1.2215911106687343
Energy: 1.3255778763919164
Energy: 1.2215911106676982
Energy: 1.2203026368017158
Energy: 1.2148788526767647
Energy: 1.3259234510372575
Energy: 1.2148788526767647
Energy: 1.241798104051234
Energy: 1.2602954018525512
Energy: 1.3473044594706631
Energy: 1.2602954018515153
Energy: 1.20148052164666
Energy: 1.2038987376425427
Energy: 1.3990165007612132
Energy: 1.203898737641507
Energy: 1.2024158145353638
Energy: 1.2050575966074297
Energy: 1.4006371300733753
Energy: 1.2050575966074297
Energy: 1.1982484656479684
Energy: 1.208551499022357
Energy: 1.1906443736834516
Energy: 1.2085514990244286
Energy: 1.326257406002642
Energy: 1.4316632359632917
Energy: 1.4333947839628796
Energy: 1.4316632359643278
Energy: 1.214016755391969
Energy: 1.203979305259905
Energy: 1.3129659012600423
Energy: 1.2039793052609409
Energy: 1.197592714564098
Energy: 1.2055232934367774
Energy: 1.1993062563263837
Energy: 1.2055232934378133
Energy: 1.4920206838809145
Energy: 1.4466176902725816
Energy: 1.2222168880739581
Energy: 1.4466176902715453
Energy: 1.1981936416220451
Energy: 1.2044509175885785
Energy: 1.2052191177312472
Energy: 1.2044509175885785
Energy: 1.4029683128879482
Energy: 1.2041114376376123
Energy: 1.1983228628427924
Energy: 1.2041114376376123
Energy: 1.3636032022278806
Energy: 1.2069299854890274
Energy: 1.1963266860233448
Energy: 1.2069299854890274
Energy: 1.39791080958524
Energy: 1.2065293438979148
Energy: 1.1967295525186166
Energy: 1.2065293438989508
Energy: 1.3438835871553738
Energy: 1.2217375949512983
Energy: 1.2155359203893399
Energy: 1.2217375949502625
Energy: 1.3270450646034042
Energy: 1.2178270074249922
Energy: 1.2170332360183187
Energy: 1.2178270074229203
Energy: 1.3405265694530468
Energy: 1.2161385208330153
Energy: 1.216248395983556
Energy: 1.2161385208330153
Energy: 1.1862133783914732
Energy: 1.1915542496455367
Energy: 1.2165113954734523
Energy: 1.1915542496465725
Energy: 1.2636666756948716
Energy: 1.2971051811182908
Energy: 1.3273106016857215
Energy: 1.2971051811193266
Energy: 1.1883119687138248
Energy: 1.1917348490973187
Energy: 1.2159542508371763
Energy: 1.1917348490973187
Energy: 1.2040472124813997
Energy: 1.2164356720292824
Energy: 1.4377534179135318
Energy: 1.2164356720292824

minimum gb energy = 1.1862133783914732 eV
minimum distance =  2.28673275741144 Angstroms
sigma value = 89


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

Energy: 2.197024498518151
Energy: 1.1400980338847855
Energy: 1.4756903524180305
Energy: 1.4059389543738832
Energy: 1.1252059417973193
Energy: 1.1473982026689624
Energy: 1.133237277219817
Energy: 1.1473982026689624
Energy: 1.1383334364455608
Energy: 1.1445458925421528
Energy: 1.2640154979675369
Energy: 1.1445458925421528
Energy: 1.1308047717701422
Energy: 1.145441530944159
Energy: 1.2631553311801373
Energy: 1.1454415309438817
Energy: 1.1350119910736123
Energy: 1.1480769874562784
Energy: 1.229147710849791
Energy: 1.1480769874560013
Energy: 1.2025116258504644
Energy: 1.1458007920415096
Energy: 1.1985084594716822
Energy: 1.1458007920423106
Energy: 1.2028487776772956
Energy: 1.1453740473628773
Energy: 1.2036275413039301
Energy: 1.145374047362631
Energy: 1.2283141219404112
Energy: 1.1465653589718017
Energy: 1.1979993056623504
Energy: 1.1465653589715246
Energy: 1.2141247411638443
Energy: 1.1460361615986576
Energy: 1.1324795301721442
Energy: 1.1460361615991814
Energy: 1.2143491375823345
Energy: 1.1541594121714813
Energy: 1.1359870205675167
Energy: 1.154159412171204
Energy: 1.2134514153368676
Energy: 1.1446505130633964
Energy: 1.13910281054258
Energy: 1.1446505130628728
Energy: 1.1336676389787004
Energy: 1.144296245943251
Energy: 1.2087375731151053
Energy: 1.144296245942974
Energy: 1.4183311519184418
Energy: 1.1331625397836576
Energy: 1.2088782875071016
Energy: 1.1331625397833802
Energy: 1.1384522176567853
Energy: 1.2405038731761697
Energy: 1.13868778967585
Energy: 1.2405038731761697
Energy: 1.1253735226648387
Energy: 1.1459506131999624
Energy: 1.137548786963962
Energy: 1.145950613200209

minimum gb energy = 1.1252059417973193 eV
minimum distance =  2.30055168610323 Angstroms
sigma value = 13


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

Energy: 1.3371560676177965
Energy: 1.1203827727091673
Energy: 1.4101837083754436
Energy: 1.3775995763181985
Energy: 1.104344312995596
Energy: 1.11656492708937
Energy: 1.1131736605800826
Energy: 1.11656492708937
Energy: 1.114644942641894
Energy: 1.1143512379286773
Energy: 1.2918929939491413
Energy: 1.1143512379298135
Energy: 1.112727286138536
Energy: 1.1138206287919352
Energy: 1.2929847969371215
Energy: 1.1138206287919352
Energy: 1.1998656906729055
Energy: 1.1168221015616016
Energy: 1.1868521526059361
Energy: 1.1168221015616016
Energy: 1.236367020694568
Energy: 1.0986619511539468
Energy: 1.1342682164118083
Energy: 1.0986619511539468
Energy: 1.2291186424389497
Energy: 1.0980248652086673
Energy: 1.1495283920942947
Energy: 1.0980248652098035
Energy: 1.2576402384378254
Energy: 1.099432218348574
Energy: 1.133972244876657
Energy: 1.099432218348574
Energy: 1.2155060868249337
Energy: 1.0999879763827407
Energy: 1.1377627151197678
Energy: 1.0999879763827407
Energy: 1.2295281820037796
Energy: 1.0999756858650769
Energy: 1.1332362336731614
Energy: 1.0999756858650769
Energy: 1.2277797365545902
Energy: 1.1034692373031034
Energy: 1.1860912339164706
Energy: 1.1034692373031034
Energy: 1.1125184815586007
Energy: 1.1132301526909103
Energy: 1.2098552819752173
Energy: 1.1132301526909103
Energy: 1.1194142693382667
Energy: 1.1132228213346187
Energy: 1.2097152100916502
Energy: 1.1132228213346187
Energy: 1.1149445599424723
Energy: 1.1190884776243966
Energy: 1.2119787704065004
Energy: 1.1190884776255325
Energy: 1.206972247870158
Energy: 1.114072773701625
Energy: 1.3739074940266953
Energy: 1.114072773701625
Energy: 1.2073658845507835
Energy: 1.1136374099726847
Energy: 1.1158887127930186
Energy: 1.1136374099738209
Energy: 1.114563968026722
Energy: 1.1204112531808677
Energy: 1.115011952883537
Energy: 1.1204112531808677
Energy: 1.115468292962379
Energy: 1.1190227122052057
Energy: 1.2900677981755238
Energy: 1.1190227122052057
Energy: 1.1169583211456513
Energy: 1.1145896108715325
Energy: 1.104065816683401
Energy: 1.1145896108715325
Energy: 1.210748146137048
Energy: 1.1163083997425465
Energy: 1.1143338138415937
Energy: 1.1163083997425465
Energy: 1.3384052403699658
Energy: 1.1156464034417173
Energy: 1.1126460884630596
Energy: 1.1156464034417173
Energy: 1.185748253971757
Energy: 1.116959569843334
Energy: 1.1147650816223245
Energy: 1.11695956984447
Energy: 1.1373086197857178
Energy: 1.100145617895795
Energy: 1.2315501233408275
Energy: 1.100145617895795
Energy: 1.140943968560567
Energy: 1.0988116798544114
Energy: 1.159774744174512
Energy: 1.0988116798544114
Energy: 1.1329449606929645
Energy: 1.106378816069492
Energy: 1.2155906214408947
Energy: 1.106378816069492
Energy: 1.1342822628405116
Energy: 1.1027641621829622
Energy: 1.215523986964706
Energy: 1.1027641621829622
Energy: 1.1365332456206945
Energy: 1.100707187924113
Energy: 1.2297317193230064
Energy: 1.100707187924113
Energy: 1.1888267873590472
Energy: 1.1017484309163625
Energy: 1.228413254204679
Energy: 1.1017484309163625
Energy: 1.1857015391258143
Energy: 1.1146859408961103
Energy: 1.1126743660897382
Energy: 1.1146859408961103
Energy: 1.2262398221635888
Energy: 1.1152234979112845
Energy: 1.1147827334199725
Energy: 1.1152234979124207
Energy: 1.2110333080642652
Energy: 1.1194625883843443
Energy: 1.1144535623613896
Energy: 1.1194625883832081
Energy: 1.1134666993862108
Energy: 1.113582975678737
Energy: 1.2069523327402072
Energy: 1.113582975677601
Energy: 1.383186748617034
Energy: 1.1140618037976986
Energy: 1.207777880061797
Energy: 1.1140618037976986
Energy: 1.114964907740792
Energy: 1.1192899199076716
Energy: 1.1149316247930865
Energy: 1.1192899199076716
Energy: 1.1042964504551576
Energy: 1.1139971670982893
Energy: 1.120370211831985
Energy: 1.1139971670994253

minimum gb energy = 1.0980248652086673 eV
minimum distance =  2.31221737952377 Angstroms
sigma value = 37


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

Energy: 1.3186140894690177
Energy: 1.0765034444433015
Energy: 1.3382484412779245
Energy: 1.312613329932384
Energy: 1.0579091148151711
Energy: 1.065919931272714
Energy: 1.0693082712470454
Energy: 1.0659199312723362
Energy: 1.0707498859513238
Energy: 1.069430055034094
Energy: 1.2181297293939126
Energy: 1.0694300550346716
Energy: 1.069409981840444
Energy: 1.067111727674693
Energy: 1.250689669678211
Energy: 1.0671117276745155
Energy: 1.1225064655357753
Energy: 1.0811488463594576
Energy: 1.1276253437996862
Energy: 1.0811488463596575
Energy: 1.1314763379842931
Energy: 1.0360321584942096
Energy: 1.0693796085144562
Energy: 1.0360321584946095
Energy: 1.1314815559040434
Energy: 1.0346890550076204
Energy: 1.0691656738023454
Energy: 1.0346890550070431
Energy: 1.172868633807756
Energy: 1.0243533282200123
Energy: 1.0693934544059662
Energy: 1.0243533282200123
Energy: 1.1044568186812271
Energy: 1.021489084882528
Energy: 1.1042865556011536
Energy: 1.021489084882528
Energy: 1.1042626920195908
Energy: 1.020904453688815
Energy: 1.1045221837332928
Energy: 1.0209044536882377
Energy: 1.1135195025659927
Energy: 1.1058776133934007
Energy: 1.1733458057202226
Energy: 1.105877613392801
Energy: 1.0694650136382455
Energy: 1.0356754658402718
Energy: 1.1934755861649173
Energy: 1.0356754658400718
Energy: 1.0683973282621482
Energy: 1.0357754091216935
Energy: 1.1657735573617058
Energy: 1.0357754091214937
Energy: 1.1275599187885557
Energy: 1.0369642608799732
Energy: 1.1231966440477477
Energy: 1.0369642608797733
Energy: 1.1894991752079367
Energy: 1.066317895728067
Energy: 1.0706631644002729
Energy: 1.066317895728467
Energy: 1.115067346101096
Energy: 1.0672085598721812
Energy: 1.0707398865542155
Energy: 1.067208559872381
Energy: 1.0689623765069958
Energy: 1.0800031979234068
Energy: 1.0715788498342103
Energy: 1.0800031979234068
Energy: 1.31227167862777
Energy: 1.3121451866243197
Energy: 1.1631561848049112
Energy: 1.3121451866245197
Energy: 1.0707648661207236
Energy: 1.068971188049869
Energy: 1.1630037265096378
Energy: 1.0689711880494912
Energy: 1.0579091148319855
Energy: 1.0659165807782724
Energy: 1.0708255922920917
Energy: 1.0659165807788722

minimum gb energy = 1.0209044536882377 eV
minimum distance =  2.30810399068635 Angstroms
sigma value = 25


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

Energy: 1.270256990122202
Energy: 1.0004931242718669
Energy: 1.208327092914863
Energy: 1.206655377993777
Energy: 0.9920868245425964
Energy: 0.9968339031662299
Energy: 0.9985386052499496
Energy: 0.9968339031662299
Energy: 0.9988682795265591
Energy: 0.9956415665936719
Energy: 1.0056083929777688
Energy: 0.9956415665936719
Energy: 0.9984963384291077
Energy: 0.9908841128186823
Energy: 1.100216002195001
Energy: 0.9908841128202085
Energy: 1.002055843852259
Energy: 0.9619838940860289
Energy: 1.0008961005508772
Energy: 0.9619838940875551
Energy: 1.1024254949859775
Energy: 0.9609531539572637
Energy: 1.000675213927665
Energy: 0.9609531539572637
Energy: 1.102268482907267
Energy: 0.9592949144938635
Energy: 1.0045374191610235
Energy: 0.9592949144938635
Energy: 1.042473063909558
Energy: 0.9562378171518339
Energy: 1.0593583309183119
Energy: 0.9562378171518339
Energy: 1.010629433048557
Energy: 0.9322402391687971
Energy: 1.0763925451326806
Energy: 0.9322402391672707
Energy: 1.0120129993127254
Energy: 0.9324192464184096
Energy: 1.0632477840555314
Energy: 0.9324192464184096
Energy: 1.0035083391666044
Energy: 1.0089891410213627
Energy: 1.0703045462979606
Energy: 1.0089891410198366
Energy: 1.0324030446081482
Energy: 0.9226955228435216
Energy: 1.0327553161352145
Energy: 0.9226955228435216
Energy: 1.0454510551640455
Energy: 0.923326939067728
Energy: 1.0325318692294418
Energy: 0.923326939067728
Energy: 1.0721532193766223
Energy: 0.9349644720248816
Energy: 1.0143411865997014
Energy: 0.934964472026408
Energy: 1.0762686633841456
Energy: 0.9326888562297622
Energy: 1.0118964384610094
Energy: 0.9326888562312886
Energy: 1.076405611811821
Energy: 0.9331353196554067
Energy: 1.0114916008717287
Energy: 0.9331353196554067
Energy: 1.0009726041464249
Energy: 0.9613933930140347
Energy: 1.042141755676778
Energy: 0.9613933930140347
Energy: 1.0037056080011126
Energy: 0.9596778010042643
Energy: 1.0565398142730524
Energy: 0.9596778010042643
Energy: 1.0007539227612738
Energy: 0.9630309755999799
Energy: 1.061819823218904
Energy: 0.9630309755984535
Energy: 1.0013151457917024
Energy: 0.9963415509849347
Energy: 0.9986826279985971
Energy: 0.9963415509834084
Energy: 0.9979723454941062
Energy: 0.9926870474903411
Energy: 0.9993414942488948
Energy: 0.9926870474903411
Energy: 1.0007780096012773
Energy: 0.9949298579007848
Energy: 0.9986440830881843
Energy: 0.9949298578992584
Energy: 1.0008467747705185
Energy: 0.9949437889827973
Energy: 0.9970924563367065
Energy: 0.9949437889827973
Energy: 1.0025066400997233
Energy: 0.9947501591014218
Energy: 0.9939384696942759
Energy: 0.9947501591014218
Energy: 0.9989741536545559
Energy: 0.9968818431253466
Energy: 0.998876585419108
Energy: 0.9968818431268728
Energy: 1.0022753220020861
Energy: 0.991926542463322
Energy: 0.9986996823120825
Energy: 0.991926542463322

minimum gb energy = 0.9226955228435216 eV
minimum distance =  2.31713588982633 Angstroms
sigma value = 41


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

Energy: 1.209432749936574
Energy: 0.933012442116409
Energy: 1.1046636027024863
Energy: 1.1026025158682151
Energy: 0.9272601571044836
Energy: 0.900520017084259
Energy: 0.9354304552919
Energy: 0.900520017084259
Energy: 0.9323531116019186
Energy: 0.9264496392669297
Energy: 0.9395833990694447
Energy: 0.926449639264427
Energy: 0.9334523641966477
Energy: 0.9240736910926377
Energy: 0.9250831288600568
Energy: 0.9240736910926377
Energy: 0.9360623495906087
Energy: 0.911356409106998
Energy: 0.9381062477653928
Energy: 0.9113564091082492
Energy: 0.9299415689629049
Energy: 0.8980732877455427
Energy: 0.9358536879347987
Energy: 0.8980732877442914
Energy: 1.055807939808761
Energy: 0.8961839454605669
Energy: 0.93732362055385
Energy: 0.8961839454618181
Energy: 0.9711486690816584
Energy: 0.9625147328618503
Energy: 1.0124450052217335
Energy: 0.962514732860599
Energy: 0.9463271852958196
Energy: 0.8682392004489428
Energy: 0.964436627006032
Energy: 0.868239200450194
Energy: 0.9480948464769796
Energy: 0.8685744856216178
Energy: 0.9604383164737696
Energy: 0.8685744856203664
Energy: 0.9512496903752183
Energy: 0.8520285616950989
Energy: 0.9979951723672831
Energy: 0.8520285616950989
Energy: 0.9483460879317271
Energy: 0.851380051921864
Energy: 0.9578544638646903
Energy: 0.851380051921864
Energy: 0.9640885443345206
Energy: 0.8513968507966692
Energy: 0.9592806063972384
Energy: 0.8513968507966692
Energy: 0.9897064778260349
Energy: 0.8451919916127946
Energy: 0.9324467580504674
Energy: 0.8451919916127946
Energy: 0.9297009315295339
Energy: 0.8442136184554055
Energy: 0.9298475481094337
Energy: 0.8442136184554055
Energy: 0.9749608583321122
Energy: 0.8454988239995621
Energy: 0.9791487606687719
Energy: 0.8454988239995621
Energy: 0.9469771518314969
Energy: 0.8509373181164545
Energy: 0.9897767401948215
Energy: 0.8509373181164545
Energy: 0.9546926403440408
Energy: 0.8509229439117143
Energy: 0.9481872919411025
Energy: 0.8509229439129655
Energy: 0.971974856614965
Energy: 0.8504768052561601
Energy: 0.9481678965429309
Energy: 0.8504768052574115
Energy: 0.9941091849907998
Energy: 0.8686808332020504
Energy: 0.9467510940699976
Energy: 0.8686808332033016
Energy: 1.0110998711692347
Energy: 0.8698429600146622
Energy: 0.9481441195904081
Energy: 0.869842960013411
Energy: 1.010038246976226
Energy: 0.8693628337948409
Energy: 0.971550149329961
Energy: 0.8693628337948409
Energy: 0.9373211554116602
Energy: 0.8969908531147357
Energy: 0.9462224767574978
Energy: 0.896990853115987
Energy: 0.9361003743559784
Energy: 0.8963791484711743
Energy: 1.0086118512939952
Energy: 0.8963791484724257
Energy: 0.9358709335989178
Energy: 0.8994608108972588
Energy: 1.0076093136977282
Energy: 0.8994608108960075
Energy: 0.9466385710644742
Energy: 0.9258258595473539
Energy: 0.93387680635414
Energy: 0.9258258595473539
Energy: 0.9344647377517488
Energy: 0.924377022971065
Energy: 0.9323513749378985
Energy: 0.924377022971065
Energy: 0.9362637751742623
Energy: 0.9577719483878148
Energy: 0.9321738007983198
Energy: 0.9577719483878148
Energy: 0.9355079073083197
Energy: 0.9244028189093455
Energy: 0.9350716268337858
Energy: 0.9244028189093455
Energy: 0.9319717869818283
Energy: 0.9253260401468689
Energy: 0.9347323478189202
Energy: 0.9253260401468689
Energy: 0.9319454835648163
Energy: 0.9317313408882826
Energy: 0.932473562367244
Energy: 0.9317313408882826
Energy: 0.9435149523283594
Energy: 0.9246342722220464
Energy: 0.9359022747232121
Energy: 0.9246342722232976

minimum gb energy = 0.8442136184554055 eV
minimum distance =  2.32429011438931 Angstroms
sigma value = 15


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

Energy: 1.0771960437383497
Energy: 0.8750432465033071
Energy: 1.020196768558603
Energy: 1.0189806551415888
Energy: 0.8708203322259043
Energy: 0.845077603068783
Energy: 0.8777511823933469
Energy: 0.845077603069843
Energy: 0.8742188397537046
Energy: 0.8688189527094099
Energy: 0.8834619693290529
Energy: 0.8688189527094099
Energy: 0.875548267315654
Energy: 0.8678232427966016
Energy: 0.8691659695875806
Energy: 0.8678232427976615
Energy: 0.878749950480209
Energy: 0.8848860386407916
Energy: 0.8777600235693662
Energy: 0.8848860386397316
Energy: 0.8821696145546626
Energy: 0.8438105779781955
Energy: 0.885342832028823
Energy: 0.8438105779781955
Energy: 0.9043762459983491
Energy: 0.8438489468066238
Energy: 0.8787567052309999
Energy: 0.8438489468076841
Energy: 0.8883062301050031
Energy: 0.909885040484539
Energy: 0.8882282356038784
Energy: 0.9098850404855989
Energy: 0.8890579410113955
Energy: 0.8171390786742116
Energy: 0.9060839198183562
Energy: 0.8171390786752717
Energy: 0.8878745828969523
Energy: 0.816529976220195
Energy: 0.9168761440493137
Energy: 0.816529976220195
Energy: 0.9067601607454396
Energy: 0.797544377614254
Energy: 0.909466390182436
Energy: 0.7975443776163742
Energy: 0.8888360738281783
Energy: 0.7976703678801904
Energy: 0.8963950253251851
Energy: 0.7976703678812506
Energy: 0.9246712274046307
Energy: 0.7981667306406046
Energy: 0.8964598676806026
Energy: 0.7981667306406046
Energy: 0.9264440666752648
Energy: 0.7857282173157496
Energy: 0.890036994212843
Energy: 0.7857282173136295
Energy: 0.913054865121162
Energy: 0.7870341334153861
Energy: 0.883175265010445
Energy: 0.787034133416446
Energy: 0.9058904164889959
Energy: 0.7871718538402454
Energy: 0.9253115329755877
Energy: 0.7871718538423655
Energy: 0.8810519738071072
Energy: 0.7833783430344418
Energy: 0.9275767700153082
Energy: 0.7833783430344418
Energy: 0.875789557517929
Energy: 0.7821828931741918
Energy: 0.8754475789579436
Energy: 0.7821828931741918
Energy: 0.9277659971684136
Energy: 0.7831840949466167
Energy: 0.8827406120665392
Energy: 0.7831840949466167
Energy: 0.9254060026476874
Energy: 0.7872574825259769
Energy: 0.8967902556948316
Energy: 0.787257482524917
Energy: 0.8838667578735552
Energy: 0.7872068147739787
Energy: 0.9143245937359716
Energy: 0.7872068147739787
Energy: 0.8919865250823988
Energy: 0.7857994910273838
Energy: 0.925706571696588
Energy: 0.7857994910252638
Energy: 0.8956545042191288
Energy: 0.7982827196971383
Energy: 0.9247457490328184
Energy: 0.7982827196960781
Energy: 0.8972392773724062
Energy: 0.7975203119076859
Energy: 0.8989503982684363
Energy: 0.7975203119087461
Energy: 0.9333762104537221
Energy: 0.7976328409851863
Energy: 0.8876495568140665
Energy: 0.7976328409862464
Energy: 0.9086634483253356
Energy: 0.8160141280136628
Energy: 0.8876304480727499
Energy: 0.8160141280147228
Energy: 0.8973296925654907
Energy: 0.816678663231088
Energy: 0.8882662758818382
Energy: 0.8166786632342681
Energy: 0.9630368960255073
Energy: 0.8176186079138423
Energy: 0.8878977805262596
Energy: 0.8176186079138423
Energy: 0.8784349885362721
Energy: 0.84422175854735
Energy: 0.8894010907477697
Energy: 0.84422175854735
Energy: 0.884015622637982
Energy: 0.8436893207246005
Energy: 0.8902436650100303
Energy: 0.8436893207214203
Energy: 0.8779598210663311
Energy: 0.8840471485953844
Energy: 0.8882057783620536
Energy: 0.8840471485985645
Energy: 0.8878207593907638
Energy: 0.8677396457552571
Energy: 0.8753205387394845
Energy: 0.8677396457531369
Energy: 0.8765715971388813
Energy: 0.8684417098045739
Energy: 0.8745140002834508
Energy: 0.8684417098045739
Energy: 0.8778828841911244
Energy: 0.8449777090529013
Energy: 0.8745307861967381
Energy: 0.8449777090539614
Energy: 0.8751015545825606
Energy: 1.0156185427990267
Energy: 0.8752023388905943
Energy: 1.0156185428011468
Energy: 0.8741227657418179
Energy: 0.8701798458279214
Energy: 0.8767165743019034
Energy: 0.8701798458279214
Energy: 0.8815722714437955
Energy: 0.8693108457129987
Energy: 0.874492220560541
Energy: 0.8693108457140586

minimum gb energy = 0.7821828931741918 eV
minimum distance =  2.32586142096291 Angstroms
sigma value = 85


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

Energy: 0.8775336757222806
Energy: 0.7512452556173904
Energy: 0.8917912843258925
Energy: 0.8857874110961831
Energy: 0.7587741798811914
Energy: 0.7446519732660813
Energy: 0.7793093559275076
Energy: 0.7446519732660813
Energy: 0.7687505538142897
Energy: 0.7632161258413688
Energy: 0.7705353136668753
Energy: 0.7632161258404494
Energy: 0.7697197467171596
Energy: 0.7607641508811342
Energy: 0.7952338177737991
Energy: 0.7607641508811342
Energy: 0.8111514448069919
Energy: 0.7872145016319173
Energy: 0.7792400158761023
Energy: 0.7872145016319173
Energy: 0.8164053507861213
Energy: 0.7453865588819619
Energy: 0.7792217698637424
Energy: 0.7453865588819619
Energy: 0.7673054666657151
Energy: 0.7445867002380586
Energy: 0.7798560542028881
Energy: 0.7445867002380586
Energy: 0.8105982131069499
Energy: 0.832647663019804
Energy: 0.8092361120031211
Energy: 0.8326476630207232
Energy: 0.7957037117386865
Energy: 0.7287732441387691
Energy: 0.7793221486128741
Energy: 0.7287732441387691
Energy: 0.7956383486215743
Energy: 0.7287891528803391
Energy: 0.8074227903125258
Energy: 0.7287891528803391
Energy: 0.8031081044625533
Energy: 0.71971610072636
Energy: 0.8326837998995205
Energy: 0.71971610072636
Energy: 0.8070816699028747
Energy: 0.7183325841365255
Energy: 0.8117172639174683
Energy: 0.7183325841374448
Energy: 0.837360282107515
Energy: 0.718968434260637
Energy: 0.8119384678274613
Energy: 0.718968434260637
Energy: 0.8388434495631615
Energy: 0.7160202066059187
Energy: 0.8125097312091467
Energy: 0.7160202066068381
Energy: 0.8283119782375863
Energy: 0.7138669516938737
Energy: 0.8087027579367903
Energy: 0.7138669516938737
Energy: 0.8148430996666214
Energy: 0.7148855310542048
Energy: 0.8447807473669007
Energy: 0.7148855310542048
Energy: 0.8129462008204229
Energy: 0.7135760447523881
Energy: 0.845244127795075
Energy: 0.7135760447523881
Energy: 0.8127631929483881
Energy: 0.7131061830398985
Energy: 0.8434613011683724
Energy: 0.7131061830408179
Energy: 0.8507759767941361
Energy: 0.7136829407443603
Energy: 0.8132736798571383
Energy: 0.7136829407452797
Energy: 0.8507037845020365
Energy: 0.7125926158367859
Energy: 0.812861147694865
Energy: 0.7125926158367859
Energy: 0.8137607901754464
Energy: 0.7126800650543929
Energy: 0.8131982814732994
Energy: 0.7126800650534735
Energy: 0.813013848155436
Energy: 0.7135959977673977
Energy: 0.8516392835185665
Energy: 0.7135959977683171
Energy: 0.8435841006178466
Energy: 0.7126706092653955
Energy: 0.8507248130670448
Energy: 0.7126706092653955
Energy: 0.8434291039597259
Energy: 0.7122083085051021
Energy: 0.8125929045101749
Energy: 0.7122083085051021
Energy: 0.8462415263175386
Energy: 0.7146344771541638
Energy: 0.8126745620915532
Energy: 0.7146344771523251
Energy: 0.8449123924994049
Energy: 0.7142452630073618
Energy: 0.8284501938778616
Energy: 0.7142452630073618
Energy: 0.8125293874124743
Energy: 0.7140162572507772
Energy: 0.8286525637045098
Energy: 0.7140162572507772
Energy: 0.812280974375967
Energy: 0.7149998939181919
Energy: 0.8375143058955299
Energy: 0.7149998939172726
Energy: 0.8121555041358705
Energy: 0.7186749420135954
Energy: 0.8028161857060341
Energy: 0.7186749420126759
Energy: 0.8131130917239673
Energy: 0.7191052642013307
Energy: 0.7957169170957092
Energy: 0.7191052642013307
Energy: 0.8325829412223089
Energy: 0.7632681729256532
Energy: 0.8027148285387425
Energy: 0.7632681729256532
Energy: 0.7915062407206332
Energy: 0.7279311939778523
Energy: 0.7957122636003446
Energy: 0.7279311939787718
Energy: 0.7795591733507778
Energy: 0.7290492302229004
Energy: 0.7956624195698335
Energy: 0.7290492302238196
Energy: 0.7795698854754296
Energy: 0.7568734665477008
Energy: 0.8101204343038757
Energy: 0.7568734665477008
Energy: 0.7800255381514988
Energy: 0.7445289575431882
Energy: 0.79919896581257
Energy: 0.7445289575431882
Energy: 0.7791825846155159
Energy: 0.7459546013949134
Energy: 0.8096991619587536
Energy: 0.7459546013949134
Energy: 0.7834332021958496
Energy: 0.746539015963274
Energy: 0.8100364930127811
Energy: 0.7465390159623545
Energy: 0.7508329772262213
Energy: 0.7613867196505458
Energy: 0.7711324774608934
Energy: 0.7613867196496265
Energy: 0.7793238551829577
Energy: 0.7617539030563714
Energy: 0.7689179564299943
Energy: 0.761753903055452
Energy: 0.7793461025970934
Energy: 0.7471362879612518
Energy: 0.7771577124785273
Energy: 0.747136287962171
Energy: 0.7686980550328083
Energy: 0.761151571136919
Energy: 0.7697353630492257
Energy: 0.7611515711378384
Energy: 0.7688598175702039
Energy: 0.7464371430155442
Energy: 0.7688046106889708
Energy: 0.7464371430146249
Energy: 0.7672974758835812
Energy: 0.7624531088900727
Energy: 0.7688870987860053
Energy: 0.7624531088909922

minimum gb energy = 0.7122083085051021 eV
minimum distance =  2.31352073392473 Angstroms
sigma value = 113


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

Energy: 0.01491720673974891
Energy: 0.015090881601823841
Energy: 0.9470746047387161
Energy: 0.1094885854129717
Energy: 0.015593326277769898
Energy: 0.10944785187725711
Energy: 0.09591625709774475
Energy: 0.10944785187796387
Energy: 0.095507251666823
Energy: 0.1100402241474368
Energy: 0.015591943125952874
Energy: 0.1100402241474368
Energy: 0.09554773854904276
Energy: 0.11042876875176542
Energy: 0.016545280913560258
Energy: 0.11042876875176542
Energy: 0.09692357797938403
Energy: 0.10939131718363565
Energy: 0.09618686337416195
Energy: 0.10939131718363565
Energy: 0.015543996848468824
Energy: 0.10969218527883727
Energy: 0.09524434770911797
Energy: 0.10969218527813049

minimum gb energy = 0.01491720673974891 eV
minimum distance =  2.45323638640335 Angstroms
sigma value = 1