Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_001
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=3.521391749382019
cohesive_energy=4.450350014499071
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: 0.018148612773468215
Energy: 0.018440958053706585
Energy: 1.5256472288500005
Energy: 0.018440958053706585
Energy: 0.018440958053706585
Energy: 1.2653536010763637
Energy: 0.018440958053706585
Energy: 1.2653536010763637
Energy: 1.5256472288500005
Energy: 0.018440958053706585
Energy: 0.018148612773468215
Energy: 0.018440958053045575
Energy: 0.018440958053706585
Energy: 1.2653536010763637
Energy: 0.018440958053706585
Energy: 1.2653536010763637

minimum gb energy = 0.018148612773468215 eV
minimum distance =  2.42313336511894 Angstroms
sigma value = 1


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

Energy: 1.6103278980073208
Energy: 1.5672620106323858
Energy: 1.483751858813788
Energy: 1.5672620106331876
Energy: 1.4692014073217283
Energy: 1.5603736738452534
Energy: 1.4765234587082354
Energy: 1.560373673846055
Energy: 1.4240669142603328
Energy: 1.5531704354162057
Energy: 1.521982254098212
Energy: 1.5531704354154041
Energy: 1.460182229276312
Energy: 1.5293870040995035
Energy: 1.4255008138712568
Energy: 1.5293870040987019
Energy: 1.433341025151125
Energy: 1.5732607257878057
Energy: 1.4985917742356174
Energy: 1.573260725787004
Energy: 1.397585143987328
Energy: 1.7466747958083968
Energy: 1.4018039919212366
Energy: 1.7466747958083968
Energy: 1.472650774513166
Energy: 1.549115441644972
Energy: 1.3998080868934413
Energy: 1.549115441644972
Energy: 1.3351750596634016
Energy: 1.5748636665772442
Energy: 1.4008677526515578
Energy: 1.5748636665788478
Energy: 1.424541331801888
Energy: 1.7732952779653481
Energy: 1.4839798213551623
Energy: 1.7732952779653481
Energy: 1.3896832324438235
Energy: 1.5517435842635565
Energy: 1.327569400319829
Energy: 1.5517435842635565
Energy: 1.496186297771209
Energy: 1.5343516656836365
Energy: 1.4246524854390807
Energy: 1.534351665684438
Energy: 1.496876799212673
Energy: 1.5775897208860576
Energy: 1.4062296103831624
Energy: 1.5775897208860576
Energy: 1.4743922915832872
Energy: 1.5478359024472523
Energy: 1.4752565623531786
Energy: 1.5478359024488555
Energy: 1.4399630755018864
Energy: 1.5582711713473367
Energy: 1.414480165742293
Energy: 1.5582711713481383
Energy: 1.4546791833006767
Energy: 1.567668495073136
Energy: 1.4363317887774856
Energy: 1.5676684950723343
Energy: 1.4534218245383161
Energy: 1.5673391194167066
Energy: 1.468282408654758
Energy: 1.567339119415905
Energy: 1.5219441630021193
Energy: 1.5530673929316097
Energy: 1.3782536357229758
Energy: 1.553067392933213
Energy: 1.4764944741479706
Energy: 1.5175609316635637
Energy: 1.5068719924859488
Energy: 1.5175609316635637
Energy: 1.3500703965978642
Energy: 1.5732409654407722
Energy: 1.4046900944772827
Energy: 1.5732409654407722
Energy: 1.506834006841984
Energy: 1.985488128026674
Energy: 1.4272277500508463
Energy: 1.985488128026674
Energy: 1.400249399782758
Energy: 1.5530981694143609
Energy: 1.3423033272513831
Energy: 1.5530981694135593
Energy: 1.4252664977654421
Energy: 1.4488895631262044
Energy: 1.4861945828657082
Energy: 1.4488895631254026
Energy: 1.4556154783375794
Energy: 1.5736632491180715
Energy: 1.382729679560768
Energy: 1.5736632491188731
Energy: 1.4378622505924747
Energy: 1.5487741009852543
Energy: 1.3976437886155748
Energy: 1.5487741009852543
Energy: 1.399282335709991
Energy: 1.7470207645691433
Energy: 1.4748338850790033
Energy: 1.7470207645691433
Energy: 1.4285947229562002
Energy: 1.5751356524756115
Energy: 1.4131605300111045
Energy: 1.575135652476413
Energy: 1.4646019775340013
Energy: 1.7789441145231069
Energy: 1.424636465325439
Energy: 1.778944114522305
Energy: 1.4103947437351332
Energy: 1.5488753861796922
Energy: 1.5869980749530164
Energy: 1.5488753861796922
Energy: 1.4680462433647246
Energy: 1.5158232805823937
Energy: 1.4694448177961796
Energy: 1.515823280583195
Energy: 1.5478198643802017
Energy: 1.5688774708800122
Energy: 1.4973192513478888
Energy: 1.5688774708800122
Energy: 1.4733548081870587
Energy: 1.5550783119384965
Energy: 1.4744254688662688
Energy: 1.5550783119401
Energy: 1.440248964958423
Energy: 1.5481347431411383
Energy: 1.4403087926924838
Energy: 1.5481347431411383
Energy: 1.433341990847598
Energy: 1.5301205639077475
Energy: 1.4299551477176629
Energy: 1.5301205639077475

minimum gb energy = 1.327569400319829 eV
minimum distance =  2.23788412168901 Angstroms
sigma value = 1


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

Energy: 1.7116986534792162
Energy: 1.6692983563165595
Energy: 1.584787419762995
Energy: 1.6692983563147314
Energy: 1.5213023481550936
Energy: 1.6175900708438407
Energy: 1.537017445143262
Energy: 1.6175900708447548
Energy: 1.4773541276531563
Energy: 1.6723814092865625
Energy: 1.5623012547333857
Energy: 1.6723814092874767
Energy: 1.475275856567125
Energy: 1.4910104631235774
Energy: 1.454717430044514
Energy: 1.4910104631208352
Energy: 1.4754798974043828
Energy: 1.641450120062492
Energy: 1.5307857078751659
Energy: 1.6414501200652338
Energy: 1.5889825569335043
Energy: 1.6416677861666467
Energy: 1.4915171995397685
Energy: 1.6416677861648183
Energy: 1.5215329133894997
Energy: 1.495016399444009
Energy: 1.475801095003377
Energy: 1.4950163994421812
Energy: 1.3828219556057688
Energy: 1.6722303954087945
Energy: 1.4459726971639992
Energy: 1.6722303954078803
Energy: 1.4757842756630217
Energy: 2.1286558416474453
Energy: 1.5757212863395202
Energy: 2.1286558416492736
Energy: 1.4655788587330179
Energy: 1.6731451674742233
Energy: 1.5377028906144445
Energy: 1.6731451674742233
Energy: 1.5216084104662695
Energy: 1.5923249189128235
Energy: 1.5424718145643213
Energy: 1.5923249189155653
Energy: 1.4313169590045163
Energy: 1.6535563204215984
Energy: 1.5058316874716866
Energy: 1.6535563204207258
Energy: 1.5113387716823412
Energy: 1.6361752036628048
Energy: 1.5272950070604359
Energy: 1.6361752036628048
Energy: 1.51165378757887
Energy: 1.63621931890197
Energy: 1.4807199518490421
Energy: 1.6362193189010559
Energy: 1.4310816668919937
Energy: 1.6534945827190062
Energy: 1.5058311400060238
Energy: 1.6534945827190062
Energy: 1.5217384990895495
Energy: 1.5923221808110748
Energy: 1.5369785776303235
Energy: 1.592322180811989
Energy: 1.4655704629225899
Energy: 1.6731336812885849
Energy: 1.408940148687418
Energy: 1.6731336812849287
Energy: 1.4759160248176044
Energy: 2.1285501654572916
Energy: 1.5755851576996114
Energy: 2.1285501654591195
Energy: 1.3828344051652213
Energy: 1.672222578978635
Energy: 1.445683821541281
Energy: 1.6722225789777208
Energy: 1.5213838348666564
Energy: 1.4949707861808166
Energy: 1.4547493447160713
Energy: 1.4949707861799026
Energy: 1.5888827385649535
Energy: 1.6413957125792435
Energy: 1.4248906977002038
Energy: 1.6413957125810714
Energy: 1.4756865742705771
Energy: 1.6414536846342158
Energy: 1.5326028939926652
Energy: 1.6414536846333019
Energy: 1.475472593548533
Energy: 1.4912782236689928
Energy: 1.4500534497953461
Energy: 1.4912782236699065
Energy: 1.4776231467150625
Energy: 1.6724037532578884
Energy: 1.4999739809639352
Energy: 1.6724037532597165
Energy: 1.5214147045484527
Energy: 1.6177345192559751
Energy: 1.5366657155756003
Energy: 1.6177345192568893
Energy: 1.7116986534783023
Energy: 1.6692983563165595
Energy: 1.584787419762995
Energy: 1.6692983563147314
Energy: 1.5213023481550936
Energy: 1.6175900708447548
Energy: 1.537017445143262
Energy: 1.6175900708447548
Energy: 1.4773541276531563
Energy: 1.6723814092865625
Energy: 1.5063348701931947
Energy: 1.6723814092874767
Energy: 1.475275856565297
Energy: 1.4910104631235774
Energy: 1.454717430044514
Energy: 1.4910104631199212

minimum gb energy = 1.3828219556057688 eV
minimum distance =  2.23231887402533 Angstroms
sigma value = 25


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

Energy: 1.5954668802138876
Energy: 1.7388410517878539
Energy: 1.7523106528752677
Energy: 1.7388410517878539
Energy: 1.6172051135279417
Energy: 1.6717607170070459
Energy: 1.554560232196251
Energy: 1.6717607170070459
Energy: 1.5523236190192868
Energy: 1.7944253975023332
Energy: 1.562079910837243
Energy: 1.7944253975023332
Energy: 1.5769090161545112
Energy: 1.5710357747211008
Energy: 1.5098303133915876
Energy: 1.5710357747211008
Energy: 1.5108695152281197
Energy: 1.740379550381449
Energy: 1.6135308085699709
Energy: 1.740379550381449
Energy: 1.6825271618103617
Energy: 1.7923189824866375
Energy: 1.782706569374715
Energy: 1.7923189824866375
Energy: 1.6153438959405082
Energy: 1.5637622904775472
Energy: 1.5485347141768022
Energy: 1.5637622904775472
Energy: 1.8005837842583463
Energy: 1.7460512872837803
Energy: 1.4622537839212013
Energy: 1.7460512872837803
Energy: 1.548211013985238
Energy: 1.6685528742529436
Energy: 1.6148462889453639
Energy: 1.6685528742529436
Energy: 1.5586993897751713
Energy: 1.7931252542531106
Energy: 1.4999126929782503
Energy: 1.7931252542531106
Energy: 1.612740662284359
Energy: 1.736524766865234
Energy: 1.6146936103259575
Energy: 1.7365247668662964
Energy: 1.5713510843821414
Energy: 1.7383698275962556
Energy: 1.5528095980049326
Energy: 1.7383698275962556
Energy: 1.5619276648612928
Energy: 1.6906905740442677
Energy: 1.498631036644958
Energy: 1.6906905740432052
Energy: 1.5476903352408475
Energy: 1.55719303886795
Energy: 1.6279865152964605
Energy: 1.5571930388690123
Energy: 1.6202026915873458
Energy: 1.7481798296483904
Energy: 1.459840449390108
Energy: 1.7481798296494528
Energy: 1.6159863851034546
Energy: 1.5636883049533614
Energy: 1.5098040661927146
Energy: 1.5636883049533614
Energy: 1.4400485398390117
Energy: 1.7946645165893857
Energy: 1.4398876314033715
Energy: 1.7946645165893857
Energy: 1.5097236920923884
Energy: 1.6786352124768158
Energy: 1.6156491083873619
Energy: 1.6786352124768158
Energy: 1.5490248679571834
Energy: 1.6957180229370528
Energy: 1.5108906870803729
Energy: 1.6957180229370528
Energy: 1.6286078227936946
Energy: 1.7921808315060301
Energy: 1.5641672115933447
Energy: 1.7921808315060301
Energy: 1.5636918145315093
Energy: 1.6696002236465486
Energy: 1.5529499090304673
Energy: 1.669600223647611
Energy: 1.596177141481915
Energy: 1.7404720403445615
Energy: 1.6792062627947932
Energy: 1.7404720403445615
Energy: 1.6151526222701271
Energy: 1.6792832099198152
Energy: 1.5529332913836682
Energy: 1.6792832099198152
Energy: 1.5514237574581173
Energy: 1.79288761273863
Energy: 1.5587891561958371
Energy: 1.7928876127396922
Energy: 1.6168038075913922
Energy: 1.5703549431494392
Energy: 1.5104519457420584
Energy: 1.5703549431494392

minimum gb energy = 1.4398876314033715 eV
minimum distance =  2.23763067051302 Angstroms
sigma value = 9


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

Energy: 1.6664616529292813
Energy: 1.667755058702235
Energy: 1.9380480658010657
Energy: 1.667755058702235
Energy: 1.5957885645612553
Energy: 1.7581058320425336
Energy: 1.6209510540033596
Energy: 1.7581058320399985
Energy: 1.6302038495797366
Energy: 1.683528920300283
Energy: 1.653405845069954
Energy: 1.683528920300283
Energy: 1.9268417462692866
Energy: 1.6422162541985938
Energy: 1.5388510279709056
Energy: 1.6422162541985938
Energy: 1.7841095444125683
Energy: 1.76009102544724
Energy: 1.919525126400996
Energy: 1.7600910254485076
Energy: 1.4881003923839804
Energy: 1.6821045935499073
Energy: 1.6661755302504366
Energy: 1.6821045935499073
Energy: 1.6167001798246772
Energy: 1.5393491098335583
Energy: 1.5399529569150683
Energy: 1.5393491098335583
Energy: 1.7064508601625008
Energy: 1.6824483779037702
Energy: 1.522983036455283
Energy: 1.6824483779012354
Energy: 1.61758521711677
Energy: 1.7624026479415833
Energy: 1.720890505132251
Energy: 1.7624026479403156
Energy: 1.6577154197959905
Energy: 1.6662073186392934
Energy: 1.665752583184253
Energy: 1.6662073186392934
Energy: 1.5547272284057776
Energy: 1.7792198005826945
Energy: 1.6228742179630389
Energy: 1.7792198005826945
Energy: 1.7725536542524314
Energy: 1.742142422603974
Energy: 1.5389572810108108
Energy: 1.742142422603974
Energy: 1.4880789969523451
Energy: 1.6836947681867442
Energy: 1.705160881084316
Energy: 1.6836947681880117
Energy: 1.626012320689383
Energy: 1.6334672346888037
Energy: 1.6200173477077622
Energy: 1.6334672346900712
Energy: 1.4881002694994088
Energy: 1.6850595577769087
Energy: 1.7063440946387531
Energy: 1.6850595577769087
Energy: 1.7727420750495797
Energy: 1.7418077862469408
Energy: 1.5389332071549755
Energy: 1.7418077862469408
Energy: 1.5536421108857716
Energy: 1.779504550290419
Energy: 1.6547010039376069
Energy: 1.7795045502891516
Energy: 1.6576582463727783
Energy: 1.6662762363852228
Energy: 1.6657608997010946
Energy: 1.6662762363852228
Energy: 1.617377822558355
Energy: 1.7621884476253955
Energy: 1.6220679929421096
Energy: 1.7621884476253955
Energy: 1.7063928374558393
Energy: 1.6823224037050128
Energy: 1.5229758520220285
Energy: 1.6823224037037454
Energy: 1.6166576825130061
Energy: 1.5391957283597477
Energy: 1.5398364430108717
Energy: 1.5391957283597477

minimum gb energy = 1.4880789969523451 eV
minimum distance =  2.3301426775882 Angstroms
sigma value = 25


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

Energy: 1.562887126992328
Energy: 1.9195980314863281
Energy: 1.7874490456060617
Energy: 1.9195980314863281
Energy: 1.5352018497440687
Energy: 1.5782686918909719
Energy: 1.5145804609502784
Energy: 1.5782686918925395
Energy: 1.7317798936743796
Energy: 1.6932084237089715
Energy: 1.5143641621991057
Energy: 1.6932084237074043
Energy: 1.562113592742692
Energy: 1.8296701181604644
Energy: 1.8011810249377367
Energy: 1.8296701181604644
Energy: 1.8008930471764348
Energy: 1.5346629524652744
Energy: 1.5150628004189743
Energy: 1.5346629524652744
Energy: 1.5142498274078062
Energy: 1.6932521172417165
Energy: 1.729931431797072
Energy: 1.6932521172401491
Energy: 1.514968834388174
Energy: 1.7605998109704135
Energy: 1.5139498604329042
Energy: 1.7605998109704135
Energy: 1.7798234764076581
Energy: 1.922218278236371
Energy: 1.561933408216037
Energy: 1.922218278236371
Energy: 1.5146099933875776
Energy: 1.6638587106379743
Energy: 1.5356546575197307
Energy: 1.6638587106364067
Energy: 1.8469932052629463
Energy: 1.6928787343002216
Energy: 1.7298798107935376
Energy: 1.6928787343002216
Energy: 1.6362129707719315
Energy: 1.6606568602684664
Energy: 2.0605846191436497
Energy: 1.6606568602700338
Energy: 1.5142516198120637
Energy: 1.694876469569671
Energy: 1.8462593842059745
Energy: 1.694876469569671
Energy: 1.7868978039144858
Energy: 1.64239240586389
Energy: 1.513981876555784
Energy: 1.6423924058654575
Energy: 1.5145490828576342
Energy: 1.7978228482554288
Energy: 1.7791200253026787
Energy: 1.7978228482350862
Energy: 1.5148923923526658
Energy: 1.8865786196742649
Energy: 1.7797264735217833
Energy: 1.8865786196742649
Energy: 1.5347454236605937
Energy: 1.6930797889222404
Energy: 1.514338122108786
Energy: 1.6930797889206728
Energy: 1.5140003169233343
Energy: 1.6589636871755107
Energy: 1.8448206834404426
Energy: 1.6589636871755107

minimum gb energy = 1.5139498604329042 eV
minimum distance =  2.31936916476646 Angstroms
sigma value = 17


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

Energy: 1.7043213111456763
Energy: 1.705290189119438
Energy: 2.082811785993434
Energy: 1.705290189119438
Energy: 1.8037972507650133
Energy: 1.7299214661054894
Energy: 1.5456626295257632
Energy: 1.7299214661054894
Energy: 1.9900189345445234
Energy: 1.6951768001142897
Energy: 1.5448438112974758
Energy: 1.695176800115178
Energy: 1.5471807439451881
Energy: 1.7061564948059014
Energy: 1.7826183794960684
Energy: 1.7061564948059014
Energy: 1.879956371853069
Energy: 1.6679463642286085
Energy: 1.6233351967910574
Energy: 1.6679463642277208
Energy: 1.5653518899819159
Energy: 1.7277724336948908
Energy: 1.9221653273865131
Energy: 1.727772433694003
Energy: 1.548421550604121
Energy: 1.7282694387148387
Energy: 1.641063472005448
Energy: 1.7282694387157267
Energy: 1.9334178066278496
Energy: 1.7262237260883984
Energy: 1.5631164820777004
Energy: 1.7262237260892859
Energy: 1.564040032469424
Energy: 1.7277838131979038
Energy: 1.8680627356194457
Energy: 1.727783813197016
Energy: 1.9792372493600412
Energy: 1.6695748220452993
Energy: 1.5460298376139576
Energy: 1.6695748220452993
Energy: 1.5513055985603599
Energy: 1.763100793386171
Energy: 1.919889626230062
Energy: 1.763100793386171
Energy: 1.6519090899632924
Energy: 1.7286677894692946
Energy: 1.652413880065805
Energy: 1.7286677894692946
Energy: 1.7947911994134995
Energy: 1.7044346157073245
Energy: 1.7116540806979204
Energy: 1.7044346157082122
Energy: 1.5455340183727557
Energy: 1.751755445935006
Energy: 1.8046748188838428
Energy: 1.7517554459358935
Energy: 1.7348419991698576
Energy: 1.7287010740048006
Energy: 1.5666058394559925
Energy: 1.7287010740048006
Energy: 1.7995421722037603
Energy: 1.7046579870912275
Energy: 1.7941349217700584
Energy: 1.7046579870912275
Energy: 1.6405032828257888
Energy: 1.7962033288677761
Energy: 1.9926941409615642
Energy: 1.7962033288668884
Energy: 1.9160211034582193
Energy: 1.69602806815079
Energy: 1.5653587020648343
Energy: 1.6960280681516775
Energy: 1.7235839305413732
Energy: 1.7943943750752884
Energy: 1.6604424563968154
Energy: 1.7943943750752884
Energy: 1.6400924344732142
Energy: 1.8377642466194857
Energy: 1.6935948484665626
Energy: 1.8377642466185977
Energy: 1.694774032138226
Energy: 1.6953891864569126
Energy: 1.8416650980250302
Energy: 1.6953891864551374
Energy: 1.640705364774182
Energy: 1.9380545027396774
Energy: 2.0293234858439937
Energy: 1.9380545027396774
Energy: 1.8560203646851183
Energy: 1.70593008770321
Energy: 1.544646456238675
Energy: 1.7059300877023222
Energy: 1.6532232497416572
Energy: 1.7944423872100579
Energy: 1.7942360331523843
Energy: 1.7944423872091702
Energy: 1.722561170442805
Energy: 1.6957112925190423
Energy: 1.96295386115742
Energy: 1.6957112925181546
Energy: 1.9328265212493763
Energy: 1.7379386356756783
Energy: 1.546717744614296
Energy: 1.7379386356747906
Energy: 1.5873742242036977
Energy: 1.805581210548109
Energy: 2.0630702236900387
Energy: 1.805581210548109
Energy: 1.8006741619853408
Energy: 1.7283322689167333
Energy: 1.8427194207023958
Energy: 1.728332268917621
Energy: 1.9347501555845548
Energy: 1.840221655185958
Energy: 1.5477472298088026
Energy: 1.840221655186846
Energy: 1.562922008720478
Energy: 1.7910590180545187
Energy: 1.9160504319402
Energy: 1.7910590180545187

minimum gb energy = 1.544646456238675 eV
minimum distance =  2.21608639158382 Angstroms
sigma value = 53


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

Energy: 1.4471070136598116
Energy: 1.4467498474689897
Energy: 2.0251747443937864
Energy: 1.4467498474689897
Energy: 1.8510592910359431
Energy: 1.6518253342822762
Energy: 1.8173969382206778
Energy: 1.6518253342822762
Energy: 1.478369351086705
Energy: 1.4465162767028088
Energy: 1.8154147460287562
Energy: 1.4465162767048525
Energy: 1.4784002850980764
Energy: 1.4465430836380253
Energy: 1.6819478631067137
Energy: 1.4465430836380253
Energy: 1.8510315097721035
Energy: 1.651782375956038
Energy: 1.7833062163732831
Energy: 1.651782375956038
Energy: 1.4471070136598116
Energy: 1.4467498474689897
Energy: 2.0251593008235536
Energy: 1.4467498474689897
Energy: 1.8510592910359431
Energy: 1.6518253342822762
Energy: 1.8173969382206778
Energy: 1.6518253342822762
Energy: 1.478369351086705
Energy: 1.4465162767048525
Energy: 1.8154147460307999
Energy: 1.4465162767048525
Energy: 1.4784002851001203
Energy: 1.4465430836359812
Energy: 1.653372658244556
Energy: 1.4465430836380253
Energy: 1.8510315097721035
Energy: 1.651782375956038
Energy: 1.7708723567613436
Energy: 1.651782375956038
Energy: 1.4471070136598116
Energy: 1.4467498474689897
Energy: 2.2007545036961904
Energy: 1.4467498474689897
Energy: 1.8510592910359431
Energy: 1.6518253342822762
Energy: 1.8173969382206778
Energy: 1.6518253342822762
Energy: 1.478369351086705
Energy: 1.4465162767028088
Energy: 1.8154147460287562
Energy: 1.4465162767048525

minimum gb energy = 1.4465162767028088 eV
minimum distance =  2.29529889966486 Angstroms
sigma value = 9


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

Energy: 1.6636803657603758
Energy: 1.8648791838439749
Energy: 2.2648690387767014
Energy: 1.8648791838454877
Energy: 1.9938843213592037
Energy: 1.7421882565097615
Energy: 1.649133457307059
Energy: 1.7421882565112743
Energy: 1.6501877843417554
Energy: 1.5770868924583343
Energy: 1.5972661166961941
Energy: 1.577086892454552
Energy: 1.9044987338516393
Energy: 1.9232747077425105
Energy: 1.6500251937022692
Energy: 1.923274707743267
Energy: 1.9922167994444384
Energy: 1.6940938754537915
Energy: 1.6444881461323466
Energy: 1.6940938754492527
Energy: 1.644737564651411
Energy: 1.648102977311015
Energy: 1.9610970207246463
Energy: 1.6481029773132843
Energy: 2.2356676875349044
Energy: 1.6623597352895094
Energy: 1.669024194215035
Energy: 1.6623597352895094
Energy: 1.6723606211229076
Energy: 1.9391922382175983
Energy: 1.8620038878080025
Energy: 1.9391922382175983
Energy: 1.6537112071868025
Energy: 1.9341294893598473
Energy: 1.644774591171102
Energy: 1.9341294893568217
Energy: 1.695137142841368
Energy: 1.7301198090530463
Energy: 1.7112045324971592
Energy: 1.7301198090522898
Energy: 1.64565155434991
Energy: 1.8373100738759927
Energy: 2.174429179229116
Energy: 1.8373100738782622
Energy: 1.9536646745415425
Energy: 1.7911969316855678
Energy: 1.66384190665133
Energy: 1.7911969316855678
Energy: 1.6359137549229996
Energy: 1.7134560161111956
Energy: 2.0227240237292574
Energy: 1.7134560161119519
Energy: 1.9165187445202339
Energy: 1.8387311635118802
Energy: 1.6025427768017
Energy: 1.8387311635118802
Energy: 1.639118705556954
Energy: 1.7828535211243581
Energy: 1.904055687395945
Energy: 1.7828535211236016
Energy: 1.6398258724449224
Energy: 1.933200783050461
Energy: 1.8508417075908832
Energy: 1.933200783050461
Energy: 1.786010276315147
Energy: 1.9008996116710377
Energy: 1.6409959679213073
Energy: 1.9008996116717942
Energy: 1.6586179561529466
Energy: 1.662052332158414
Energy: 2.0510730014424823
Energy: 1.6620523321576575
Energy: 2.0496703683592514
Energy: 1.7846452573458267
Energy: 1.6486261809410077
Energy: 1.7846452573465832
Energy: 1.631949779022537
Energy: 1.7166038221497768
Energy: 1.8572448491790108
Energy: 1.7166038221475073
Energy: 1.8659986721141313
Energy: 1.9223852383647182
Energy: 1.8735890541256652
Energy: 1.9223852383662314
Energy: 1.7964111558234765
Energy: 1.6012043704333467
Energy: 1.6733683826831127
Energy: 1.6012043704310774
Energy: 1.6439733379903116
Energy: 1.7396312635548559
Energy: 1.752881015264524
Energy: 1.7396312635586382
Energy: 2.1360120918491687
Energy: 1.795608410293491
Energy: 1.6436095351275353
Energy: 1.7956084102950038
Energy: 1.6361935312400417
Energy: 1.8044592521672156
Energy: 2.1556484227292034
Energy: 1.8044592521672156
Energy: 1.751360289659428
Energy: 1.575918746161102
Energy: 1.6335702770825307
Energy: 1.5759187461633715
Energy: 1.8307771391138687
Energy: 1.8971624374638794
Energy: 1.902105894177294
Energy: 1.8971624374608536
Energy: 1.6644650971054489
Energy: 1.8617665881797023
Energy: 1.9081887930842818
Energy: 1.8617665881797023
Energy: 1.781309712557408
Energy: 1.575408110651848
Energy: 1.6320544702702684
Energy: 1.5754081106526046
Energy: 1.6359802920195865
Energy: 1.8243211999647833
Energy: 2.1372516651607705
Energy: 1.824321199961001
Energy: 2.03418947884519
Energy: 1.7491525342260823
Energy: 1.6421212703987524
Energy: 1.7491525342260823
Energy: 1.6499872910903652
Energy: 1.7335405013087446
Energy: 1.7162042905182338
Energy: 1.7335405013064753
Energy: 1.6457487823373078
Energy: 1.8016282053947703
Energy: 1.6378946604843159
Energy: 1.8016282053947703
Energy: 1.8909940582034295
Energy: 1.751776311092743
Energy: 1.8449205272943718
Energy: 1.751776311094256
Energy: 1.6304932918786466
Energy: 2.0071829835553143
Energy: 2.1101705093072045
Energy: 2.0071829835568273

minimum gb energy = 1.575408110651848 eV
minimum distance =  2.23454088873511 Angstroms
sigma value = 73


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

Energy: 1.6993528275156666
Energy: 1.699494773160622
Energy: 2.1043260231366347
Energy: 1.699494773160622
Energy: 1.8104527370332402
Energy: 1.72991732633308
Energy: 1.5788350658776418
Energy: 1.72991732633308
Energy: 1.6713413594446707
Energy: 1.5787689953843647
Energy: 1.6110276761344928
Energy: 1.5787689953831645
Energy: 1.7017101471481002
Energy: 1.831202976128292
Energy: 1.7118906964048897
Energy: 1.8312029761270918
Energy: 1.7269749191468255
Energy: 1.7501619154232624
Energy: 1.6110182624915523
Energy: 1.7501619154232624
Energy: 1.7058752820684098
Energy: 1.577751895439284
Energy: 2.155797556020133
Energy: 1.577751895440484
Energy: 2.151037684516805
Energy: 1.8429046295523395
Energy: 1.6731769304605593
Energy: 1.8429046295535398
Energy: 1.6743119274872644
Energy: 1.5780940800293757
Energy: 2.0597145026569255
Energy: 1.5780940800281755
Energy: 2.134177820256013
Energy: 1.5788467812997184
Energy: 1.5781484822467122
Energy: 1.5788467813009186
Energy: 1.5795223757871366
Energy: 1.8092873937545324
Energy: 1.5789123213244693
Energy: 1.8092873937545324
Energy: 1.633185128386913
Energy: 1.5785206413053618
Energy: 2.0593450736753005
Energy: 1.5785206413041617
Energy: 1.8236987609282391
Energy: 1.8300097497098877
Energy: 1.7119677624352567
Energy: 1.8300097497098877
Energy: 1.6528168057019554
Energy: 1.701015328199306
Energy: 1.9508508301454848
Energy: 1.7010153281981057
Energy: 2.1192361200052523
Energy: 1.813011675576237
Energy: 1.7071420397421662
Energy: 1.813011675576237
Energy: 1.659172331582039
Energy: 1.847445143912762
Energy: 1.9575892381322142
Energy: 1.8474451439103614
Energy: 2.058969467871204
Energy: 1.5787835813096047
Energy: 1.6744932768547902
Energy: 1.5787835813108047
Energy: 1.6984589484227108
Energy: 1.7002313652570207
Energy: 1.6715665459541749
Energy: 1.7002313652582208
Energy: 1.6995317945381363
Energy: 1.8683957409014258
Energy: 1.6722188133297573
Energy: 1.8683957409014258
Energy: 1.867235188821185
Energy: 1.5779076460258241
Energy: 1.6716679366022107
Energy: 1.5779076460258241
Energy: 1.664344047593195
Energy: 1.7833786766684987
Energy: 2.1164399334571096
Energy: 1.7833786766696988
Energy: 2.140124645627722
Energy: 1.626188330377157
Energy: 1.6992089549718121
Energy: 1.626188330378357
Energy: 1.712153854526623
Energy: 1.7456225974992634
Energy: 1.8903339254503118
Energy: 1.7456225974992634

minimum gb energy = 1.577751895439284 eV
minimum distance =  2.2429672847294 Angstroms
sigma value = 7


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

Energy: 1.607610081778052
Energy: 1.607746932473432
Energy: 2.2127400690145307
Energy: 1.6077469324759777
Energy: 2.07463501993249
Energy: 1.7629199068397312
Energy: 1.6517069348475695
Energy: 1.7629199068388823
Energy: 1.6647340492316713
Energy: 1.8579302894337446
Energy: 1.6167381080064256
Energy: 1.8579302894345935
Energy: 1.6156145433618565
Energy: 1.7156512357088674
Energy: 1.6517390082523349
Energy: 1.7156512357054727
Energy: 1.659208833445995
Energy: 1.7198016865939567
Energy: 1.6010799192203427
Energy: 1.7198016865948051
Energy: 1.657894605564809
Energy: 1.6076587973667056
Energy: 2.103497699762493
Energy: 1.6076587973624625
Energy: 1.7997169847368164
Energy: 1.871590093204021
Energy: 1.6224675098771428
Energy: 1.8715900931963834
Energy: 1.6596198971520777
Energy: 1.6081210386075153
Energy: 2.1817977042950005
Energy: 1.6081210386058178
Energy: 1.811472684660864
Energy: 1.6980585383010778
Energy: 1.6679574879731003
Energy: 1.6980585383019262
Energy: 1.6575420773852387
Energy: 1.7157071039201646
Energy: 1.7912706920005206
Energy: 1.7157071039159213
Energy: 1.6135228129767112
Energy: 1.8575648169331629
Energy: 1.6020784359452473
Energy: 1.8575648169331629
Energy: 1.6121270287513663
Energy: 1.7196889668058672
Energy: 1.601269516056338
Energy: 1.7196889668050186
Energy: 1.6090670045962634
Energy: 1.6095360827710161
Energy: 1.6653175666845808
Energy: 1.6095360827701672
Energy: 1.6168127054584651
Energy: 1.6010719251373746
Energy: 1.6659411985605075
Energy: 1.6010719251390721
Energy: 1.65011849061487
Energy: 1.9187074472739796
Energy: 1.8452978731131735
Energy: 1.9187074472714334
Energy: 2.262124001942259
Energy: 1.6000967990370452
Energy: 1.6733710413374863
Energy: 1.6000967990395911
Energy: 1.6502508469169601
Energy: 1.7196331955910074
Energy: 1.8057414627362025
Energy: 1.7196331955893103
Energy: 1.6327367727683004
Energy: 1.8988289584606206
Energy: 1.6664629432029296
Energy: 1.8988289584614695
Energy: 1.6495479174057446
Energy: 1.8564161001107604
Energy: 1.6831809311343913
Energy: 1.8564161001116088
Energy: 1.6500991277683488
Energy: 1.7331367017846178
Energy: 1.6043554977090981
Energy: 1.7331367017863148
Energy: 1.6131741464007117
Energy: 1.859751918448807
Energy: 1.667785189922754
Energy: 1.8597519184479583
Energy: 1.6583739563682227
Energy: 1.8547062313693339
Energy: 1.7876535160910467
Energy: 1.854706231368485
Energy: 2.0136682693249077
Energy: 1.703268082594206
Energy: 1.6539770903466342
Energy: 1.7032680825950546
Energy: 1.6133334106407011
Energy: 1.608338349900461
Energy: 2.108751191214494
Energy: 1.6083383499030068
Energy: 1.6457250355727955
Energy: 1.7335314634233705
Energy: 1.6285390834566087
Energy: 1.733531463419976
Energy: 1.615052732690694
Energy: 1.8544553288505201
Energy: 1.6024850659905365
Energy: 1.8544553288471253
Energy: 1.6594271334664732
Energy: 1.7183552185537911
Energy: 1.6304561226670606
Energy: 1.7183552185537911
Energy: 1.613739031599132
Energy: 1.7186573949427824
Energy: 1.6518673876324053
Energy: 1.7186573949436312
Energy: 1.6592195079026353
Energy: 1.6087449846808237
Energy: 1.8184684280011512
Energy: 1.6087449846816724
Energy: 1.6122793233850747
Energy: 1.7076509573318854
Energy: 1.6497041594866222
Energy: 1.7076509573318854
Energy: 1.6592163891876923
Energy: 1.608736663185942
Energy: 2.04723183294237
Energy: 1.6087366631867905

minimum gb energy = 1.6000967990370452 eV
minimum distance =  2.23342291178088 Angstroms
sigma value = 29


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

Energy: 1.5140873326016444
Energy: 1.5054310312201555
Energy: 1.9841745633720598
Energy: 1.5054310312201555
Energy: 1.456386673113488
Energy: 1.5152838798166568
Energy: 1.5116161922412463
Energy: 1.5152838798169526
Energy: 1.6277582896821945
Energy: 1.5822305972645823
Energy: 1.7746162057762023
Energy: 1.582230597264878
Energy: 1.5115160189844905
Energy: 1.4575651523873483
Energy: 1.512131130909662
Energy: 1.4575651523873483
Energy: 1.5144560983683168
Energy: 1.5547395951140321
Energy: 1.774664653047768
Energy: 1.554739595114328
Energy: 1.5058310497173621
Energy: 1.5834002435319818
Energy: 1.5059417132543627
Energy: 1.5834002435322774
Energy: 1.506528182583289
Energy: 1.5547506492084169
Energy: 1.514438037549743
Energy: 1.5547506492087124
Energy: 1.511820726696896
Energy: 1.4562800749806504
Energy: 1.5115292760342942
Energy: 1.4562800749731288
Energy: 1.7745909641527622
Energy: 1.5821453241859105
Energy: 1.7744496089223336
Energy: 1.5821453241859105

minimum gb energy = 1.4562800749731288 eV
minimum distance =  2.28922846437251 Angstroms
sigma value = 5


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

Energy: 1.518470648698883
Energy: 1.5233401877300004
Energy: 2.071836733542391
Energy: 1.5233401877283972
Energy: 1.7705479591183266
Energy: 1.6084312358964217
Energy: 1.5364749186854487
Energy: 1.6084312358964217
Energy: 1.4907712039221495
Energy: 1.5169571545982692
Energy: 1.7960492439818088
Energy: 1.5169571545982692
Energy: 1.5451065828169486
Energy: 1.5994049892204796
Energy: 1.4965288714178324
Energy: 1.5994049892204796
Energy: 1.5159730570202703
Energy: 1.608499505353359
Energy: 1.7420212792581329
Energy: 1.6084995053541609
Energy: 1.6162625260691383
Energy: 1.5255935416581228
Energy: 1.4907044069503994
Energy: 1.5255935416565196
Energy: 1.4803699153559462
Energy: 1.6039451116019792
Energy: 1.4797005132984402
Energy: 1.6039451116003758
Energy: 1.490203762740467
Energy: 1.5262372159666784
Energy: 1.495570662795674
Energy: 1.5262372159658768
Energy: 1.4879941735102773
Energy: 1.6052710478656393
Energy: 1.5234702624002818
Energy: 1.6052710478656393
Energy: 1.4914955188429275
Energy: 1.6040220515729204
Energy: 1.5415427431946025
Energy: 1.6040220515729204
Energy: 1.5467931240064563
Energy: 1.6012167728449078
Energy: 1.4938760190546974
Energy: 1.6012167728449078
Energy: 1.5281851438982361
Energy: 1.5086834270570115
Energy: 1.524211223648797
Energy: 1.5086834270570115
Energy: 1.6864313739460635
Energy: 1.5249364156274456
Energy: 1.5227477716864097
Energy: 1.5249364156282472
Energy: 1.5136542399051538
Energy: 1.5242259585823166
Energy: 1.5107249534470781
Energy: 1.524225958581515
Energy: 1.8572060584743422
Energy: 1.4881380075562713
Energy: 1.493632053805413
Energy: 1.4881380075554698
Energy: 1.493630268546813
Energy: 1.5171858356587578
Energy: 1.888753783057271
Energy: 1.5171858356595593
Energy: 1.7463956429478424
Energy: 1.5103042366876573
Energy: 1.5186304332282332
Energy: 1.510304236688459
Energy: 1.498946385198962
Energy: 1.5250693334295544
Energy: 2.041247106404494
Energy: 1.5250693334303562
Energy: 1.527432648801613
Energy: 1.6059769983912873
Energy: 1.4866145297667082
Energy: 1.6059769983912873
Energy: 1.4928327067759546
Energy: 1.6950320492172555
Energy: 1.5026577541602903
Energy: 1.695032049218057
Energy: 1.5399317769861824
Energy: 1.5975008806703115
Energy: 1.4917841474967735
Energy: 1.597500880671113
Energy: 1.5435814309634766
Energy: 1.604135052223735
Energy: 1.4871367695191169
Energy: 1.6041350522229334
Energy: 1.5322632903254818
Energy: 1.5259542628519875
Energy: 1.5436139902894341
Energy: 1.525954262853591
Energy: 1.5235971157279975
Energy: 1.5341213495173838
Energy: 1.5339189705894374
Energy: 1.5341213495173838
Energy: 1.522892223098169
Energy: 1.5182679574528657
Energy: 1.4965284314917906
Energy: 1.5182679574512623
Energy: 1.510349081027606
Energy: 1.5242874961676574
Energy: 1.5187868773622624
Energy: 1.5242874961676574
Energy: 1.530911740531123
Energy: 1.4825698682486328
Energy: 1.5875361737626699
Energy: 1.4825698682470294
Energy: 1.9131565140628377
Energy: 1.610725144474463
Energy: 1.4937628792846218
Energy: 1.6107251444776698
Energy: 1.5056608733599761
Energy: 1.4986363018022473
Energy: 1.7506051286679356
Energy: 1.498636301801446
Energy: 2.0476472151929674
Energy: 1.5243969965877509
Energy: 1.49881971589695
Energy: 1.5243969965877509
Energy: 1.4880668574186757
Energy: 1.5025261787128743
Energy: 1.7738336896677152
Energy: 1.502526178713676
Energy: 1.7441349189348199
Energy: 1.6072979263289064
Energy: 1.5061593131078188
Energy: 1.6072979263281049
Energy: 1.496623971895681
Energy: 1.6019663008640679
Energy: 1.539686731955904
Energy: 1.6019663008640679

minimum gb energy = 1.4797005132984402 eV
minimum distance =  2.22515027254763 Angstroms
sigma value = 1


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

Energy: 1.6321599056372222
Energy: 1.6323783772257214
Energy: 2.0102414755288587
Energy: 1.6323783772257214
Energy: 1.5976770663602804
Energy: 1.426412256743792
Energy: 1.4598539413578815
Energy: 1.4264122567449007
Energy: 1.4433256954785199
Energy: 1.4697472491465808
Energy: 1.7201717079959815
Energy: 1.4697472491465808
Energy: 1.4557086813561697
Energy: 1.5710765749593227
Energy: 1.4594041331697176
Energy: 1.5710765749593227
Energy: 1.4404728108966465
Energy: 1.469091769532873
Energy: 1.785964553007283
Energy: 1.469091769532873
Energy: 1.4314604192295244
Energy: 1.4710697923058782
Energy: 1.4597026841678016
Energy: 1.4710697923069866
Energy: 1.439404106825932
Energy: 1.6211931134207427
Energy: 1.4630702529121704
Energy: 1.6211931134207427
Energy: 1.4398265986167649
Energy: 1.4735938670392958
Energy: 1.5321061946102117
Energy: 1.4735938670392958
Energy: 1.4689567683761235
Energy: 1.4794796381047062
Energy: 1.488412568680095
Energy: 1.4794796381047062
Energy: 1.4691533921086595
Energy: 1.4805623891544526
Energy: 1.5120089416260636
Energy: 1.480562389152236
Energy: 1.440392992287754
Energy: 1.472907384031319
Energy: 1.4862256594559942
Energy: 1.4729073840291023
Energy: 1.439673604706328
Energy: 1.6053204936119432
Energy: 1.6686973799736557
Energy: 1.6053204936152685
Energy: 1.4310209648832872
Energy: 1.5746480113628136
Energy: 1.4615462960043617
Energy: 1.5746480113639223
Energy: 1.4313752130445179
Energy: 1.4763533480921442
Energy: 1.4695433730917495
Energy: 1.4763533480921442
Energy: 1.6168822872625572
Energy: 1.5708581922712868
Energy: 1.4616011072760884
Energy: 1.5708581922723952
Energy: 1.4433258999529204
Energy: 1.4702356554265363
Energy: 1.8426127643572048
Energy: 1.4702356554276448
Energy: 2.0239571126395903
Energy: 1.4276921039382109
Energy: 1.4563753943364857
Energy: 1.4276921039371027
Energy: 1.6321599056372222
Energy: 1.6323783772257214
Energy: 2.0102439511511823
Energy: 1.6323783772268297
Energy: 1.5976770663591722
Energy: 1.426412256743792
Energy: 1.459853941356773
Energy: 1.4264122567449007
Energy: 1.4433256954774114
Energy: 1.4697472491465808
Energy: 1.7201717079959815
Energy: 1.4697472491454724
Energy: 1.4557086813583864
Energy: 1.5710765749593227
Energy: 1.459404133170826
Energy: 1.5710765749593227
Energy: 1.4404728108966465
Energy: 1.469091769532873
Energy: 1.7859645530083912
Energy: 1.4690917695317645
Energy: 1.4314604192295244
Energy: 1.4710697923058782
Energy: 1.4597026841666934
Energy: 1.4710697923058782
Energy: 1.4394041068248233
Energy: 1.6211931134207427
Energy: 1.4630702529121704
Energy: 1.6211931134218511

minimum gb energy = 1.426412256743792 eV
minimum distance =  2.23550518337097 Angstroms
sigma value = 17


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

Energy: 1.4606848255899108
Energy: 1.46129021979513
Energy: 1.8832017585628873
Energy: 1.4612902197958153
Energy: 1.6593821222761729
Energy: 1.4493326794840409
Energy: 1.4332761233541844
Energy: 1.4493326794854111
Energy: 1.4297974485417022
Energy: 1.4462284461607529
Energy: 1.758548119298728
Energy: 1.4462284461607529
Energy: 1.5833699143801852
Energy: 1.7271324553717484
Energy: 1.4279447751465715
Energy: 1.7271324553717484
Energy: 1.4311992131618205
Energy: 1.4608444683293036
Energy: 1.8117486202163378
Energy: 1.4608444683299888
Energy: 1.4670801584849138
Energy: 1.7374436595968328
Energy: 1.4431161152969398
Energy: 1.7374436595934073
Energy: 1.4605971350926559
Energy: 1.5310902061943628
Energy: 1.4455852613310696
Energy: 1.5310902061943628
Energy: 1.45676718933171
Energy: 1.7471739338634125
Energy: 1.4273856385261736
Energy: 1.7471739338627275
Energy: 1.4625670409727587
Energy: 1.747179163792366
Energy: 1.5088270410565254
Energy: 1.7471791637916811
Energy: 1.4454677404248006
Energy: 1.746017521403698
Energy: 1.4425180954527814
Energy: 1.746017521403013
Energy: 1.4220817180782437
Energy: 1.7224801106679337
Energy: 1.4274558156007078
Energy: 1.7224801106672487
Energy: 1.421215301264981
Energy: 1.5265742030280498
Energy: 1.414364825659511
Energy: 1.526574203028735
Energy: 1.4627126946898266
Energy: 1.7390329568630267
Energy: 1.4314972726628876
Energy: 1.739032956864397
Energy: 1.4620814718636002
Energy: 1.5507342862411013
Energy: 1.4601070787028987
Energy: 1.5507342862411013
Energy: 1.4258902839646448
Energy: 1.7298562267521995
Energy: 1.4730298526496912
Energy: 1.7298562267521995
Energy: 1.4365034995663062
Energy: 1.4470904140397751
Energy: 1.8053893088747257
Energy: 1.4470904140377199
Energy: 1.494057776978275
Energy: 1.731891266287636
Energy: 1.4326074245787954
Energy: 1.7318912662869508
Energy: 1.4216633560931924
Energy: 1.4606682920496945
Energy: 1.7304432400448113
Energy: 1.4606682920476395
Energy: 1.6519818234946175
Energy: 1.7301003774753951
Energy: 1.4334923357005733
Energy: 1.7301003774733401
Energy: 1.4371701165272872
Energy: 1.4465132330819883
Energy: 1.582125131092053
Energy: 1.4465132330826735
Energy: 1.4627441153526506
Energy: 1.4392141878801332
Energy: 1.4585921920006975
Energy: 1.4392141878801332
Energy: 1.458918243593157
Energy: 1.4620547709480143
Energy: 1.4881688479094415
Energy: 1.4620547709486993
Energy: 1.6429434691306628
Energy: 1.434584317315936
Energy: 1.4394483831359088
Energy: 1.434584317315936
Energy: 1.4333945874030216
Energy: 1.4404882618078896
Energy: 1.66078165325423
Energy: 1.4404882618085748
Energy: 1.5249127662937918
Energy: 1.4610817229965165
Energy: 1.4240835068931066
Energy: 1.4610817229958315
Energy: 1.4329312727083536
Energy: 1.5519431398319428
Energy: 1.4939329914510637
Energy: 1.5519431398326278
Energy: 1.646097759647047
Energy: 1.5155894679951563
Energy: 1.4395738734073138
Energy: 1.5155894679958413
Energy: 1.4716907675536506
Energy: 1.7305667029465177
Energy: 1.445957645489514
Energy: 1.7305667029444622
Energy: 1.4596630853593386
Energy: 1.5499832946538858
Energy: 1.4558620273914897
Energy: 1.5499832946545706
Energy: 1.4323845349999667
Energy: 1.7386754912534714
Energy: 1.5178773424013716
Energy: 1.7386754912534714
Energy: 1.431408959220726
Energy: 1.5495902881225359
Energy: 1.4211193806646543
Energy: 1.5495902881225359
Energy: 1.4271551104213809
Energy: 1.7266250338370137
Energy: 1.430990616930522
Energy: 1.7266250338349585
Energy: 1.439795199594701
Energy: 1.5237841781733545
Energy: 1.6605111565706316
Energy: 1.5237841781733545
Energy: 1.5127058040293822
Energy: 1.7466348413175627
Energy: 1.4453361401191003
Energy: 1.7466348413175627
Energy: 1.4255113191201423
Energy: 1.462279741918921
Energy: 1.4974862865940701
Energy: 1.4622797419182358
Energy: 1.4462025672012442
Energy: 1.5335006429187832
Energy: 1.45849589027819
Energy: 1.5335006429160427
Energy: 1.4395272388775193
Energy: 1.9405003951312674
Energy: 1.4552547723216898
Energy: 1.9405003951305824
Energy: 1.8158708747523917
Energy: 1.5503152196643208
Energy: 1.4367395566004542
Energy: 1.5503152196643208

minimum gb energy = 1.414364825659511 eV
minimum distance =  2.23510426527659 Angstroms
sigma value = 89


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

Energy: 1.3015719031130113
Energy: 1.3018011175475155
Energy: 2.1329737100422523
Energy: 1.3018011175475155
Energy: 1.3019891129733032
Energy: 1.3396781046480741
Energy: 1.3239871715832796
Energy: 1.3396781046462813
Energy: 1.320982047330317
Energy: 1.4004940910395058
Energy: 2.2727699116547453
Energy: 1.4004940910395058
Energy: 1.3453692113173146
Energy: 1.3397235941681704
Energy: 1.324206392060172
Energy: 1.3397235941681704
Energy: 1.3204932315959859
Energy: 1.4340567035713334
Energy: 2.1766143421894366
Energy: 1.4340567035713334
Energy: 1.3204858814927365
Energy: 1.3024602114132415
Energy: 1.30147090421169
Energy: 1.3024602114132415
Energy: 1.3212110273679474
Energy: 1.533564987530317
Energy: 1.3017171023992693
Energy: 1.533564987530317
Energy: 1.3425978749614245
Energy: 1.5331805684671476
Energy: 1.3239300229452926
Energy: 1.533180568465355
Energy: 1.3204988193518294
Energy: 1.4336598868732564
Energy: 1.3457840880671406
Energy: 1.4336598868732564
Energy: 1.3392038796738746
Energy: 1.3025922365317264
Energy: 1.3203582586879157
Energy: 1.3025922365317264
Energy: 1.3015363925892875
Energy: 1.3406833691492257
Energy: 1.3203610454390855
Energy: 1.3406833691492257
Energy: 1.3016002461465883
Energy: 1.534504350196994
Energy: 1.3238819312831045
Energy: 1.534504350196994
Energy: 1.3205097768756588
Energy: 1.3035226620038567
Energy: 1.3383262468386592
Energy: 1.3035226620038567
Energy: 1.3207468502314899
Energy: 1.4329367893254517
Energy: 1.3205499674490617
Energy: 1.4329367893254517
Energy: 1.3105947427585463
Energy: 1.3036478331461678
Energy: 1.3205371289218133
Energy: 1.3036478331443753

minimum gb energy = 1.30147090421169 eV
minimum distance =  2.25345113951021 Angstroms
sigma value = 13


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

Energy: 1.3062149740165907
Energy: 1.2734687126135416
Energy: 1.770432836354518
Energy: 1.273468712609785
Energy: 1.5193463679196029
Energy: 1.4891982170177618
Energy: 1.2677520207500932
Energy: 1.4891982170170104
Energy: 1.275156644050379
Energy: 1.2747893314750984
Energy: 1.9907048342196307
Energy: 1.274789331471342
Energy: 1.267910405119793
Energy: 1.4894619412019674
Energy: 1.2646010520205753
Energy: 1.489461941205724
Energy: 1.2819003988147533
Energy: 1.367512789248968
Energy: 1.3549847742305365
Energy: 1.367512789251222
Energy: 1.2977906828029218
Energy: 1.3010172152961146
Energy: 1.2803493512535493
Energy: 1.3010172152976174
Energy: 1.2820341570744966
Energy: 1.2888626475190592
Energy: 1.6514016895197505
Energy: 1.2888626475220646
Energy: 1.270340688035953
Energy: 1.489415211180267
Energy: 1.2803068668404287
Energy: 1.489415211178013
Energy: 1.2818157563135915
Energy: 1.3710121409470453
Energy: 1.499233025407147
Energy: 1.3710121409500509
Energy: 1.512119623003847
Energy: 1.5774291867888868
Energy: 1.264749157828552
Energy: 1.577429186791892
Energy: 1.2819447899428977
Energy: 1.3928972039095573
Energy: 1.305383875437533
Energy: 1.392897203910309
Energy: 1.6948154822992223
Energy: 1.577762099919167
Energy: 1.2727121096990857
Energy: 1.5777620999199182
Energy: 1.3156777211704402
Energy: 1.2885687615461034
Energy: 1.3019127265365933
Energy: 1.2885687615483574
Energy: 1.697375637048159
Energy: 1.3915939080830426
Energy: 1.2726987213210144
Energy: 1.3915939080860478
Energy: 1.2826485821296676
Energy: 1.2717765648359056
Energy: 1.2755180779407997
Energy: 1.2717765648366566
Energy: 1.2627001167735397
Energy: 1.3921214675137963
Energy: 1.2611950310297544
Energy: 1.3921214675122937
Energy: 1.278344585933889
Energy: 1.358669518743479
Energy: 1.2615317234250767
Energy: 1.3586695187449815
Energy: 1.3020136168261343
Energy: 1.3679938758760117
Energy: 1.275894606857872
Energy: 1.3679938758760117
Energy: 1.2786816577661513
Energy: 1.2898764491329529
Energy: 1.2757759564539801
Energy: 1.289876449129196
Energy: 1.2785693594359973
Energy: 1.2897726977565491
Energy: 1.275872355717242
Energy: 1.2897726977557977
Energy: 1.3021485853120467
Energy: 1.3679432952996404
Energy: 1.2758369317669995
Energy: 1.3679432952981379
Energy: 1.2783933760515098
Energy: 1.3584175621041608
Energy: 1.2617457068182008
Energy: 1.358417562104912
Energy: 1.2623416353169967
Energy: 1.3922651126200514
Energy: 1.2614325129775492
Energy: 1.3922651126230565
Energy: 1.2821415785303492
Energy: 1.2718415508915248
Energy: 1.3113136891537016
Energy: 1.2718415508892709
Energy: 1.6973329300567561
Energy: 1.3917047760374484
Energy: 1.2735831627303986
Energy: 1.3917047760359456
Energy: 1.3212217085204434
Energy: 1.2886351103668912
Energy: 1.3106438838449062
Energy: 1.2886351103646372
Energy: 1.6944600651106498
Energy: 1.5773082946723114
Energy: 1.2730821496535845
Energy: 1.5773082946760681
Energy: 1.282998985626342
Energy: 1.3929496297417683
Energy: 1.304663416525599
Energy: 1.3929496297447734
Energy: 1.5121248404270988
Energy: 1.5778245399208155
Energy: 1.2647218145289574
Energy: 1.5778245399163073
Energy: 1.2818879623830972
Energy: 1.371014257264642
Energy: 1.7159957857664847
Energy: 1.37101425726915
Energy: 1.27069091154249
Energy: 1.4896623314532056
Energy: 1.2803173622794246
Energy: 1.4896623314486974
Energy: 1.2820756184364
Energy: 1.288770683869718
Energy: 1.8429898320902844
Energy: 1.2887706838712207
Energy: 1.297765042168639
Energy: 1.3012499450264121
Energy: 1.2803706959536578
Energy: 1.3012499450249093
Energy: 1.2818450683257543
Energy: 1.3675016643819984
Energy: 1.341681585555958
Energy: 1.367501664381247
Energy: 1.2680178515941873
Energy: 1.489597174105574
Energy: 1.2646211365773696
Energy: 1.489597174110082

minimum gb energy = 1.2611950310297544 eV
minimum distance =  2.220669329099 Angstroms
sigma value = 37


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

Energy: 1.3852329829789254
Energy: 1.3848483700240135
Energy: 1.20840587693662
Energy: 1.3848483700265988
Energy: 1.473730177058962
Energy: 1.6156834865740823
Energy: 1.1796388432721243
Energy: 1.6156834865753749
Energy: 1.2005099067145388
Energy: 1.3697619347850591
Energy: 1.6149331298871832
Energy: 1.3697619348832404
Energy: 1.3268832025026307
Energy: 1.3709211106372856
Energy: 1.180045276919765
Energy: 1.3709211106359929
Energy: 1.1790996977339707
Energy: 1.2046750925829368
Energy: 1.3210177845108535
Energy: 1.2046750925829368
Energy: 1.2168960820446455
Energy: 1.781745415884635
Energy: 1.3293516760897326
Energy: 1.781745415884635
Energy: 1.1952116769942205
Energy: 1.9709005841068012
Energy: 1.6723293064874407
Energy: 1.9709005841055087
Energy: 1.162502377792323
Energy: 1.2058794767400494
Energy: 1.2074091618072167
Energy: 1.2058794767400494
Energy: 1.1804403839728015
Energy: 1.6152671119694935
Energy: 1.4976480224659408
Energy: 1.6152671119694935
Energy: 1.6151070860110284
Energy: 1.6623688898145184
Energy: 1.3305092948871176
Energy: 1.6623688898132258
Energy: 1.1782842790976014
Energy: 1.8656144188324992
Energy: 1.3273635427923365
Energy: 1.8656144188324992
Energy: 1.5748270119977168
Energy: 1.2052486023256799
Energy: 1.1800224616731851
Energy: 1.2052486023256799
Energy: 1.3265711802928604
Energy: 1.615021799809633
Energy: 1.3974922009258068
Energy: 1.6150217998083405
Energy: 1.6751441550035875
Energy: 1.9712545732865043
Energy: 1.162452187926274
Energy: 1.9712545732865043
Energy: 1.3842372438511712
Energy: 1.4191053068801736
Energy: 1.1625613095167835
Energy: 1.4191053068801736
Energy: 1.3843917172000895
Energy: 1.6158240846992833
Energy: 1.1793957493541871
Energy: 1.6158240847005756
Energy: 1.326649453638585
Energy: 1.3507855530583839
Energy: 1.180867018290439
Energy: 1.3507855530583839
Energy: 1.3270811335600419
Energy: 1.7097783216414917
Energy: 1.1782764651100037
Energy: 1.7097783216414917
Energy: 1.1782965939820418
Energy: 1.2065960031320542
Energy: 1.1783897683086901
Energy: 1.2065960031307614
Energy: 1.1785130933990893
Energy: 1.615844045386484
Energy: 1.3265708840274404
Energy: 1.615844045386484

minimum gb energy = 1.162452187926274 eV
minimum distance =  2.23365809795489 Angstroms
sigma value = 25


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

Energy: 1.2559345556057329
Energy: 1.4689150979603016
Energy: 1.0704601636619042
Energy: 1.4689150979603016
Energy: 1.5117542681192897
Energy: 1.3256620616183412
Energy: 1.063986961159457
Energy: 1.3256620616193509
Energy: 1.1916888922409377
Energy: 1.1922715897741323
Energy: 1.393370098855658
Energy: 1.192271589773123
Energy: 1.2728932178458296
Energy: 1.230431599817868
Energy: 1.0720202785198176
Energy: 1.230431599816859
Energy: 1.0827255060537389
Energy: 1.3250403895935337
Energy: 1.153358946242734
Energy: 1.3250403895945428
Energy: 1.1659391782148631
Energy: 1.3209265203106009
Energy: 1.0821821656162753
Energy: 1.3209265203106009
Energy: 1.0669074507800016
Energy: 1.0580142171119908
Energy: 1.2740310227006442
Energy: 1.0580142171099722
Energy: 1.0678938342574251
Energy: 1.241998171518264
Energy: 1.1940042414132577
Energy: 1.2419981715061974
Energy: 1.0628036057708756
Energy: 1.0968975351782657
Energy: 1.6667178625544237
Energy: 1.0968975351782657
Energy: 1.0392824830656733
Energy: 1.307097546237054
Energy: 1.1217915467952952
Energy: 1.3070975462380634
Energy: 1.066940373056344
Energy: 1.057607541431411
Energy: 1.5707750495733128
Energy: 1.0576075414304016
Energy: 1.3929620625210564
Energy: 1.6360550607495228
Energy: 1.1940255513431353
Energy: 1.636055060750532
Energy: 1.0743382935504497
Energy: 1.1071862236024481
Energy: 1.4371282299881212
Energy: 1.1071862236034573
Energy: 1.3820813008210608
Energy: 1.418001857193921
Energy: 1.081944546602144
Energy: 1.4180018571929116
Energy: 1.0811449354333174
Energy: 1.0574536512119441
Energy: 1.1650557312221819
Energy: 1.0574536512099255
Energy: 1.4785675278843116
Energy: 1.736661884494407
Energy: 1.0647960776269627
Energy: 1.7366618844933979
Energy: 1.1971709543355082
Energy: 1.4796883560910423
Energy: 1.0486482906752295
Energy: 1.479688356090033
Energy: 1.4591262286872724
Energy: 1.2082785966905358
Energy: 1.0638674257394445
Energy: 1.208278596688517
Energy: 1.259285921590469
Energy: 1.0769442328049432
Energy: 1.040313435198713
Energy: 1.076944232807971
Energy: 1.711518336309562
Energy: 1.7363152095022805
Energy: 1.0646997498257573
Energy: 1.7363152095022805
Energy: 1.1971038616031233
Energy: 1.7359724074080094
Energy: 1.053437945523806
Energy: 1.7359724074059906
Energy: 1.191488222974024
Energy: 1.1072551867261153
Energy: 1.075258276879621
Energy: 1.1072551865717262
Energy: 1.0810870986417915
Energy: 1.17120334153238
Energy: 1.3822418402694676
Energy: 1.1712033415333893
Energy: 1.1651423875308649
Energy: 1.7922899496597735
Energy: 1.080886075662489
Energy: 1.792289949658764
Energy: 1.0647081046858191
Energy: 1.621923645006186
Energy: 1.4783781228974258
Energy: 1.6219236450051766
Energy: 1.0475000690260456
Energy: 1.3574115374096276
Energy: 1.1914375165596913
Energy: 1.3574115374086184

minimum gb energy = 1.0392824830656733 eV
minimum distance =  2.23700163079238 Angstroms
sigma value = 41


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

Energy: 1.3799786555377154
Energy: 1.1838847437827884
Energy: 0.9687175385956668
Energy: 1.1838847437993387
Energy: 1.4469766704225924
Energy: 0.9673114824370562
Energy: 0.9581702779223792
Energy: 0.9673114824370562
Energy: 0.985758254513254
Energy: 0.954568760822044
Energy: 1.7680522836085262
Energy: 0.9545687608212164
Energy: 1.236107686119367
Energy: 0.9684058416208613
Energy: 0.9578043066681915
Energy: 0.9684058416200336
Energy: 0.9516822547674523
Energy: 1.3996833446004247
Energy: 1.0307991101383631
Energy: 1.3996833446012522
Energy: 1.0240964110068658
Energy: 1.1663466936864917
Energy: 0.9578227619276897
Energy: 1.1663466936864917
Energy: 0.9565630185853092
Energy: 1.1666110713228213
Energy: 1.0241830722092677
Energy: 1.1666110713228213
Energy: 0.9403343045293444
Energy: 0.9889901257007513
Energy: 0.9529196407170136
Energy: 0.9889901256999237
Energy: 0.9614675286199357
Energy: 1.548474118571967
Energy: 1.6181286656587321
Energy: 1.5484741185727944
Energy: 0.9424051555530305
Energy: 0.9551221081534833
Energy: 0.9874122029170768
Energy: 0.9551221081526559
Energy: 0.9568916091879004
Energy: 0.9672383421952606
Energy: 1.574812363599521
Energy: 0.9672383421952606
Energy: 0.9444520303379319
Energy: 1.182932465498857
Energy: 1.3813014533308956
Energy: 1.1829324655005122
Energy: 0.9615392755190487
Energy: 1.5487203519414732
Energy: 1.6997616645210696
Energy: 1.5487203519431283
Energy: 1.235557321852322
Energy: 1.3722061689593863
Energy: 0.9870972516238046
Energy: 1.3722061689593863
Energy: 0.9566635862619309
Energy: 0.9673966112326564
Energy: 1.3745319565106313
Energy: 0.9673966112318289
Energy: 1.2227005788701044
Energy: 1.547187069624264
Energy: 0.9530175347275781
Energy: 1.547187069626747
Energy: 0.9616911744403233
Energy: 1.620051130626827
Energy: 1.2744555899310348
Energy: 1.620051130626827
Energy: 1.2166449029705888
Energy: 1.3727179316366849
Energy: 0.9579982298152214
Energy: 1.3727179316350298
Energy: 0.9569987482823865
Energy: 0.9896843206572626
Energy: 0.9399195206907195
Energy: 0.9896843206589176
Energy: 1.2052467486001097
Energy: 1.1831521877113012
Energy: 0.9613972349232771
Energy: 1.1831521877113012
Energy: 0.9910369987434892
Energy: 1.3537748640960716
Energy: 0.9437363703795106
Energy: 1.3537748640952443
Energy: 1.5765175991846039
Energy: 1.7040065250289556
Energy: 0.9581171051335582
Energy: 1.7040065250297833
Energy: 1.384952630527697
Energy: 1.182798248342329
Energy: 0.9442148153015343
Energy: 1.1827982483415012
Energy: 1.3803158994012232
Energy: 1.5484965370204804
Energy: 0.961861878563743
Energy: 1.5484965370196526
Energy: 0.991185189694062
Energy: 1.3528285861570128
Energy: 0.9505214573756439
Energy: 1.3528285861578402
Energy: 1.3755418523992315
Energy: 1.697406652046174
Energy: 0.9582324999211831
Energy: 1.6974066520470015
Energy: 0.9569919542510278
Energy: 1.5527919909251398
Energy: 1.2227417219564927
Energy: 1.5527919909259673
Energy: 0.9521353092863782
Energy: 1.354090497889488
Energy: 0.961565996380984
Energy: 1.354090497889488
Energy: 0.9617211265131723
Energy: 1.3531053164597873
Energy: 1.2178411840351253
Energy: 1.3531053164597873
Energy: 0.939994483246907
Energy: 1.5921925198379163
Energy: 0.9625433609646256
Energy: 1.5921925198379163
Energy: 0.9573054951141509
Energy: 1.1842815829615643
Energy: 1.2054247237884361
Energy: 1.1842815826273954
Energy: 0.9443291741458667
Energy: 1.354769775577391
Energy: 0.9962799980474
Energy: 1.3547697755782186

minimum gb energy = 0.9399195206907195 eV
minimum distance =  2.26595509208857 Angstroms
sigma value = 15


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

Energy: 1.2529607262254245
Energy: 1.525480767458067
Energy: 1.7196384506544806
Energy: 1.5254807674587678
Energy: 1.7428582148362075
Energy: 1.2195528136355969
Energy: 0.8957145942244797
Energy: 1.2195528136362979
Energy: 0.9252373993934715
Energy: 0.8939070699387055
Energy: 1.6611423072205618
Energy: 0.8939070699394065
Energy: 1.4088393073733478
Energy: 1.2208627566319206
Energy: 0.8956366416785444
Energy: 1.2208627566326216
Energy: 0.8915293803228805
Energy: 1.5314896743259485
Energy: 0.8730737966361999
Energy: 1.5314896743259485
Energy: 1.2273834119783245
Energy: 1.386696675445843
Energy: 0.8956338070605284
Energy: 1.386696675445142
Energy: 0.8947700606501793
Energy: 1.078379262310459
Energy: 0.9339857268136302
Energy: 1.078379262309057
Energy: 1.3417535637904157
Energy: 1.072846788981402
Energy: 0.8957411610423532
Energy: 1.072846788984907
Energy: 0.8983339563008919
Energy: 1.5396528349396927
Energy: 1.1115766098606523
Energy: 1.5396528349410947
Energy: 0.8651204022670069
Energy: 0.8980580372588256
Energy: 0.8924363746433861
Energy: 0.8980580372609287
Energy: 0.8948557533686052
Energy: 1.2227916100136387
Energy: 1.5570545009357841
Energy: 1.2227916100150409
Energy: 0.8677338157471154
Energy: 1.0619433719332474
Energy: 0.926070055961745
Energy: 1.0619433719290412
Energy: 0.8980881904331585
Energy: 1.536490780593739
Energy: 1.5682507099095144
Energy: 1.536490780593038
Energy: 0.8679777899909279
Energy: 1.5260071980030818
Energy: 1.2534439908793449
Energy: 1.5260071980030818
Energy: 0.8948667673466166
Energy: 1.4542710702811446
Energy: 1.5912983533981582
Energy: 1.4542710702839488
Energy: 1.113535305336205
Energy: 1.0620945063139657
Energy: 0.9259412761809027
Energy: 1.0620945063160687
Energy: 0.8981095654112655
Energy: 1.5364934881015477
Energy: 1.508656104759745
Energy: 1.5364934881015477
Energy: 1.1055039212910087
Energy: 1.531545796572216
Energy: 0.8923226839918212
Energy: 1.531545796572917
Energy: 0.8948955981263054
Energy: 1.220640642035402
Energy: 1.2299397422107483
Energy: 1.220640642035402
Energy: 1.1010158082250414
Energy: 1.0611615342648366
Energy: 0.895614227889064
Energy: 1.0611615342655374
Energy: 0.8980017658486146
Energy: 1.4149416131764654
Energy: 1.1446893295147116
Energy: 1.4149416131771664
Energy: 1.1038155112031127
Energy: 1.472824344127671
Energy: 0.9020000502436917
Energy: 1.47282434412697
Energy: 0.89479709432339
Energy: 1.2187912185376817
Energy: 0.864770772615154
Energy: 1.2187912185376817
Energy: 1.4436287229902536
Energy: 1.063568288812214
Energy: 0.8957657181237321
Energy: 1.0635682888129148
Energy: 0.9284173497978552
Energy: 1.4128528168009806
Energy: 0.8685243266954245
Energy: 1.4128528168016816
Energy: 1.4233453898490747
Energy: 1.54054465466713
Energy: 0.9019938211621561
Energy: 1.540544654667831
Energy: 1.2557938668038757
Energy: 1.5226387608217606
Energy: 0.8683138379760593
Energy: 1.5226387608217606
Energy: 1.5867348564601025
Energy: 1.3854614811208967
Energy: 0.8958262809197897
Energy: 1.3854614811208967
Energy: 0.9282546318151587
Energy: 1.5568501051598953
Energy: 0.8746445861974927
Energy: 1.5568501051605965
Energy: 1.2301319680070526
Energy: 1.5407335536301
Energy: 0.9019256037905308
Energy: 1.5407335536301
Energy: 0.8947829098109343
Energy: 1.5251934799602869
Energy: 1.1055138190591312
Energy: 1.5251934799602869
Energy: 1.229297461282692
Energy: 1.2183039581783979
Energy: 0.8956268991194027
Energy: 1.2183039581790989
Energy: 0.8981656460412611
Energy: 1.5569617889528176
Energy: 1.1004596019452204
Energy: 1.5569617889528176
Energy: 0.8720088892119879
Energy: 1.4153918018344969
Energy: 0.9019322291945758
Energy: 1.4153918018344969
Energy: 0.8888661056458578
Energy: 1.2366050611751003
Energy: 1.103616599604075
Energy: 1.2366050611758015
Energy: 0.8645249744100336
Energy: 1.2262386428814616
Energy: 0.8990213939763588
Energy: 1.2262386428814616
Energy: 0.8978973202984498
Energy: 1.5561943363072335
Energy: 1.4446444115128674
Energy: 1.5561943363058315

minimum gb energy = 0.8645249744100336 eV
minimum distance =  2.26676585031765 Angstroms
sigma value = 85


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

Energy: 1.1791517014548938
Energy: 1.4270114238138585
Energy: 1.0921312485564443
Energy: 1.4270114238132507
Energy: 1.7051476887043577
Energy: 0.996051477253902
Energy: 0.8213271208310163
Energy: 0.9960514772526858
Energy: 1.1317735279176413
Energy: 1.1323970821886016
Energy: 1.704013734965553
Energy: 1.1323970821886016
Energy: 1.4146597045285483
Energy: 0.9964730403781482
Energy: 0.8212310762423647
Energy: 0.9964730403769322
Energy: 0.860523157418815
Energy: 0.8192377868455928
Energy: 0.7857623162049568
Energy: 0.8192377868449847
Energy: 1.2568037378437957
Energy: 1.000346805578184
Energy: 0.8212022935888871
Energy: 1.0003468056377405
Energy: 0.8173077096719725
Energy: 1.1550630037529022
Energy: 0.900913191992909
Energy: 1.1550630037535101
Energy: 1.0956925491747398
Energy: 0.9963672365962262
Energy: 0.821327264546716
Energy: 0.9963672365950101
Energy: 0.8205511652027192
Energy: 1.1160620753051633
Energy: 1.0541921558363816
Energy: 1.1160620753045554
Energy: 0.9425386017074743
Energy: 1.1548518461308797
Energy: 0.8180803394410947
Energy: 1.1548518461308797
Energy: 0.8209439131816013
Energy: 1.0000634114182099
Energy: 1.4690717937389723
Energy: 1.0000634114024018
Energy: 0.7813861486219849
Energy: 0.9961960460976922
Energy: 0.8613850023483866
Energy: 0.9961960461007322
Energy: 0.8206219427960256
Energy: 1.1156145513692979
Energy: 1.4313589447132509
Energy: 1.1156145513692979
Energy: 0.7844213144258396
Energy: 1.132507530347115
Energy: 1.132647989271836
Energy: 1.132507530346507
Energy: 0.8208697701018397
Energy: 0.9969773083641227
Energy: 1.556159249971961
Energy: 0.9969773083641227
Energy: 0.7838336608610553
Energy: 1.4273544542747358
Energy: 1.1799723831751485
Energy: 1.4273544542747358
Energy: 0.8208336075160091
Energy: 1.114967509989412
Energy: 1.5563451426570076
Energy: 1.1149675099875882
Energy: 0.9999787526683684
Energy: 1.132530913201139
Energy: 1.132625830762024
Energy: 1.132530913201139
Energy: 0.8208507048684304
Energy: 1.287911484984382
Energy: 1.4145523614431752
Energy: 1.287911484984382
Energy: 0.9891806697740075
Energy: 1.4516177749769958
Energy: 0.8612400264864305
Energy: 1.4516177749769958
Energy: 0.8204966324784126
Energy: 1.117141420617252
Energy: 1.2567737557705014
Energy: 1.1171414206166441
Energy: 0.9863883985745149
Energy: 1.1597154674886743
Energy: 0.8180718430409504
Energy: 1.1597154674886743
Energy: 0.8207350973907346
Energy: 1.133283831865295
Energy: 1.0962499354909117
Energy: 1.133283831871983
Energy: 0.9936274891216422
Energy: 1.1547562595158343
Energy: 0.8210687703096577
Energy: 1.154756259515226
Energy: 0.8205310499116133
Energy: 0.9964553576133723
Energy: 0.9425301616831241
Energy: 0.9964553576133723
Energy: 1.2957023126124756
Energy: 1.1323611027591494
Energy: 0.8221500073591352
Energy: 1.1323611027603653
Energy: 0.8634653884171974
Energy: 1.133783303910728
Energy: 0.7810306288366852
Energy: 1.1337833039204557
Energy: 1.2961471000325966
Energy: 1.448068502010035
Energy: 0.8216746004972337
Energy: 1.448068502010035
Energy: 1.1351636913450718
Energy: 1.1328506081298086
Energy: 0.7847167133208783
Energy: 1.132850608129201
Energy: 1.5604980407667797
Energy: 1.287624267908261
Energy: 0.8221079360654762
Energy: 1.2876242679076533
Energy: 1.1824171848533533
Energy: 1.1340543020693286
Energy: 0.7837957535559079
Energy: 1.1340543007274364
Energy: 1.4380641022595093
Energy: 1.4477515685119977
Energy: 0.8213344697549844
Energy: 1.4477515685119977
Energy: 1.1354307671215103
Energy: 1.1331002215914459
Energy: 0.7939405786553907
Energy: 1.1331002215914459
Energy: 1.4146089576249468
Energy: 1.287453918293957
Energy: 0.822083351135212
Energy: 1.287453918293957
Energy: 0.8636453862015174
Energy: 1.439833839713822
Energy: 0.9891877322371713
Energy: 1.4398338397144304
Energy: 1.1013981870612206
Energy: 1.4405942040368913
Energy: 0.8211531240942666
Energy: 1.4405942040374993
Energy: 0.8207456098870624
Energy: 1.1324752709274604
Energy: 0.9865316178475111
Energy: 1.1324752709268524
Energy: 1.0959884691213153
Energy: 0.995765326294819
Energy: 0.8220193530126226
Energy: 0.995765326293603
Energy: 0.8205948964234914
Energy: 1.1328387460930598
Energy: 0.9930852332608198
Energy: 1.1328387460918439
Energy: 0.790206483687856
Energy: 1.3388937363574014
Energy: 0.8172709164249594
Energy: 1.3388937363574014
Energy: 0.8204074050885484
Energy: 1.1327229650326132
Energy: 1.2953167315692138
Energy: 1.1327229650326132
Energy: 0.7811254235478413
Energy: 0.995908474676291
Energy: 0.8602511798655985
Energy: 0.995908474679331
Energy: 0.8207141344817298
Energy: 1.4146288709274215
Energy: 1.2886858732731525
Energy: 1.4146288709268133

minimum gb energy = 0.7810306288366852 eV
minimum distance =  2.25724987372282 Angstroms
sigma value = 113


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

Energy: 0.020524473413001953
Energy: 0.021364621535499225
Energy: 1.2298722071426524
Energy: 0.02136462153409702
Energy: 1.2293315324270788
Energy: 0.45541525745986977
Energy: 0.45464137712399016
Energy: 0.45541525745945427
Energy: 0.020524473413001953
Energy: 0.021364621535031825
Energy: 1.2299278765040598
Energy: 0.02136462153409702
Energy: 1.229331532427546
Energy: 0.45541525745945427
Energy: 0.4546413726390108
Energy: 0.45541525745945427
Energy: 0.020524473413001953
Energy: 0.021364621535031825
Energy: 1.2298720557984888
Energy: 0.02136462153409702
Energy: 1.2293315324270788
Energy: 0.45541525745986977
Energy: 0.454641377211654
Energy: 0.45541525745945427

minimum gb energy = 0.020524473413001953 eV
minimum distance =  2.48527387779542 Angstroms
sigma value = 1