Model name: model_name=MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0469995588064185
cohesive_energy=3.357264043064316
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.1664952880274798e-19, 2.7606144274473597e-19, 3.1818426862922997e-19, 3.5114104199061e-19, 3.7820180533887e-19, 4.01053650669612e-19, 4.20693131849184e-19, 4.37769130414356e-19, 4.527254492927459e-19, 4.65882523811154e-19, 4.774806804646799e-19, 4.87704169566234e-19, 4.967019935427779e-19, 5.0458950911196e-19, 5.11466051225088e-19, 5.17410126537228e-19, 5.22489026467008e-19, 5.26762031549886e-19, 5.30278809261516e-19, 5.3308261837101595e-19, 5.35208706764334e-19, 5.36693924504052e-19, 5.375655085929479e-19, 5.378506960338e-19, 5.375430781200719e-19, 5.365513307836259e-19, 5.34755290776912e-19, 5.32012364379504e-19, 5.28154323044832e-19, 5.22977690340378e-19, 5.16238935417774e-19, 5.076400534230959e-19, 4.96823758966962e-19, 4.83347851298388e-19, 4.6666598818518e-19, 4.46100448911156e-19, 4.2079887550702795e-19, 3.89687809628016e-19, 3.51382970662344e-19, 3.0410594254627197e-19, 2.45515945217526e-19, 1.7250956253604797e-19, 8.089117455038218e-20, -3.5102248091969396e-20, -1.8356137695737998e-19, -3.7625676290519395e-19, -6.31078150012992e-19, -9.762558905718538e-19, -1.4583043766200678e-18, -2.15750707711074e-18, -3.2201827731439197e-18, -4.93041019934088e-18, -7.883029474606799e-18, -1.345033692949536e-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: 0.010331951147188479
Energy: 0.010970867390895844
Energy: 0.19527157390207597
Energy: 0.010970867390895844
Energy: 0.010970867390895844
Energy: 0.08270892081239918
Energy: 0.010970867390895844
Energy: 0.08270892081239918
Energy: 0.19527157390207597
Energy: 0.010970867390895844
Energy: 0.010331951146715824
Energy: 0.010970867390895844
Energy: 0.010970867390895844
Energy: 0.08270892081189872
Energy: 0.010970867390895844
Energy: 0.08270892081189872

minimum gb energy = 0.010331951146715824 eV
minimum distance =  2.66114888514866 Angstroms
sigma value = 1


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

Energy: 0.486257438953468
Energy: 0.42947527721751316
Energy: 0.47663230283271996
Energy: 0.429475277218727
Energy: 0.36962919177278236
Energy: 0.4662271696973676
Energy: 0.39726820273952435
Energy: 0.4662271696973676
Energy: 0.4961703981987244
Energy: 0.4624005747429908
Energy: 0.5358464446507922
Energy: 0.4624005747423839
Energy: 0.405259199938687
Energy: 0.4661643865069931
Energy: 0.39716212184923394
Energy: 0.46616438650638614
Energy: 0.4559637848395627
Energy: 0.4083496391718198
Energy: 0.3998615870992352
Energy: 0.4083496391724268
Energy: 0.3891855518283949
Energy: 0.42239921650521306
Energy: 0.4335371981847857
Energy: 0.42239921650521306
Energy: 0.3831246677564209
Energy: 0.36382230062975635
Energy: 0.4559565456408275
Energy: 0.36382230062975635
Energy: 0.4149845334954873
Energy: 0.3775063457863153
Energy: 0.4092464856152854
Energy: 0.3775063457863153
Energy: 0.40537526119230416
Energy: 0.3470373762952104
Energy: 0.40596872758015445
Energy: 0.3470373762958174
Energy: 0.40849699295447645
Energy: 0.3628294148177644
Energy: 0.4039870511224918
Energy: 0.3628294148177644
Energy: 0.42361258745813457
Energy: 0.3467290067831788
Energy: 0.40583277566022785
Energy: 0.3467290067831788
Energy: 0.4080861687969633
Energy: 0.37742599293609236
Energy: 0.41000063986867574
Energy: 0.37742599293669926
Energy: 0.38436976629462005
Energy: 0.3634944676933691
Energy: 0.48438607878878426
Energy: 0.3634944676933691
Energy: 0.38969250995860716
Energy: 0.4227222927667922
Energy: 0.4152928126962863
Energy: 0.4227222927667922
Energy: 0.48459826192100813
Energy: 0.4079937688867152
Energy: 0.4141587716609004
Energy: 0.4079937688861082
Energy: 0.42341612261733985
Energy: 0.44052845644145194
Energy: 0.39759328011606854
Energy: 0.44052845644145194
Energy: 0.399417038557925
Energy: 0.3896770286346276
Energy: 0.582840904846611
Energy: 0.38967702863584147
Energy: 0.3973161338057318
Energy: 0.48089829991267324
Energy: 0.3649366040586778
Energy: 0.48089829991267324
Energy: 0.5336186264874097
Energy: 0.3899067937560398
Energy: 0.3975599047523674
Energy: 0.389906793754219
Energy: 0.3849712780297949
Energy: 0.45972868959872093
Energy: 0.4100376898191527
Energy: 0.45972868959872093
Energy: 0.4016606524489561
Energy: 0.4078547807903925
Energy: 0.4563933165933475
Energy: 0.40785478079099946
Energy: 0.43360307742762383
Energy: 0.4236045520842827
Energy: 0.3849923568375475
Energy: 0.4236045520836757
Energy: 0.45478638188484904
Energy: 0.36316262112512787
Energy: 0.3844456535451224
Energy: 0.36316262112512787
Energy: 0.40633570494795584
Energy: 0.3786943503617901
Energy: 0.4135499232596528
Energy: 0.37869435036118315
Energy: 0.40668392840262674
Energy: 0.35564247296635826
Energy: 0.40487541286653
Energy: 0.35564247296635826
Energy: 0.4040150162552907
Energy: 0.3638341496379063
Energy: 0.4090929986755807
Energy: 0.3638341496379063
Energy: 0.40485612604780546
Energy: 0.3493267756625536
Energy: 0.425387782806837
Energy: 0.3493267756625536
Energy: 0.4078041892726952
Energy: 0.37815079490844367
Energy: 0.40468732507437605
Energy: 0.37815079490844367
Energy: 0.48634774174401924
Energy: 0.3635243122760926
Energy: 0.38352723543024136
Energy: 0.36352431227548565
Energy: 0.4177452608586552
Energy: 0.3994233518534803
Energy: 0.392384735655747
Energy: 0.3994233518534803
Energy: 0.4133064176527827
Energy: 0.404257418504589
Energy: 0.4854436282471461
Energy: 0.404257418504589
Energy: 0.3977090324490431
Energy: 0.44781490474906344
Energy: 0.42345149205494526
Energy: 0.44781490474845653
Energy: 0.5837436730392028
Energy: 0.40617418703956953
Energy: 0.4107302118518527
Energy: 0.40617418703956953

minimum gb energy = 0.3467290067831788 eV
minimum distance =  2.45822220537543 Angstroms
sigma value = 1


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

Energy: 0.5674548799021952
Energy: 0.43193341352235
Energy: 0.49793277550350845
Energy: 0.431933413520966
Energy: 0.3802644316489395
Energy: 0.47201305695708623
Energy: 0.402862760226497
Energy: 0.47201305695708623
Energy: 0.4956328882137336
Energy: 0.5068748052677214
Energy: 0.5157780863912227
Energy: 0.5068748052324595
Energy: 0.4189031292403462
Energy: 0.4717302139161628
Energy: 0.40286185944380504
Energy: 0.4717302139161628
Energy: 0.5156744682718686
Energy: 0.40827699741558426
Energy: 0.40608687350765194
Energy: 0.40827699741696827
Energy: 0.39837251177108357
Energy: 0.42546903265778496
Energy: 0.4427776331148745
Energy: 0.42546903265709296
Energy: 0.3952411669602759
Energy: 0.37347350726046347
Energy: 0.4338562575938287
Energy: 0.37347350726115547
Energy: 0.40871564992263365
Energy: 0.38444779537191587
Energy: 0.41413632370033954
Energy: 0.38444779537191587
Energy: 0.4325436475969687
Energy: 0.35999848490427755
Energy: 0.40115543448274266
Energy: 0.3599984849035855
Energy: 0.4164406949937457
Energy: 0.384324140437192
Energy: 0.4173666695619936
Energy: 0.384324140437884
Energy: 0.4615405889899462
Energy: 0.37466684324322297
Energy: 0.39486197428593306
Energy: 0.37466684324322297
Energy: 0.4108989308790545
Energy: 0.4241304972432827
Energy: 0.3994078252060118
Energy: 0.4241304972432827
Energy: 0.4232263363802554
Energy: 0.41873367566042513
Energy: 0.4612926168532714
Energy: 0.41873367566042513
Energy: 0.4029647797079554
Energy: 0.4566260349551051
Energy: 0.43484585807159587
Energy: 0.45662603495302906
Energy: 0.5648042285848763
Energy: 0.4020561385447406
Energy: 0.40317146501244056
Energy: 0.4020561385447406
Energy: 0.38046530371543974
Energy: 0.48673236693301913
Energy: 0.40277105802645863
Energy: 0.48673236693301913
Energy: 0.4042043930064732
Energy: 0.40192072127545875
Energy: 0.5136021151360537
Energy: 0.4019207212747667
Energy: 0.41867227927818534
Energy: 0.46273636892533987
Energy: 0.3975889636241277
Energy: 0.46273636892533987
Energy: 0.5137872963563695
Energy: 0.4074325552723273
Energy: 0.4082202011462226
Energy: 0.40743255527094324
Energy: 0.3984613220940126
Energy: 0.42693614387709716
Energy: 0.442775765066265
Energy: 0.42693614387709716
Energy: 0.3967337858099203
Energy: 0.37610945005922514
Energy: 0.43263281365414835
Energy: 0.37610945005853313
Energy: 0.4086119318984357
Energy: 0.38438161894740147
Energy: 0.4165936481980109
Energy: 0.38438161894878553
Energy: 0.4334557955910633
Energy: 0.3646110591277855
Energy: 0.40279482523473426
Energy: 0.3646110591277855
Energy: 0.4126342930196872
Energy: 0.38512199506450734
Energy: 0.41834403824705835
Energy: 0.38512199506450734
Energy: 0.4641058901387068
Energy: 0.37573433265631023
Energy: 0.3960370231913799
Energy: 0.3757343326576943
Energy: 0.40713487121134323
Energy: 0.4391799360613789
Energy: 0.40117314974241697
Energy: 0.4391799360613789
Energy: 0.4226101138238424
Energy: 0.42030329840822406
Energy: 0.4629280271567809
Energy: 0.42030329840684
Energy: 0.4030652098318165
Energy: 0.4769412430489186
Energy: 0.4344813359853863
Energy: 0.47694124305030267
Energy: 0.5663306099044686
Energy: 0.4021752716879036
Energy: 0.40586487330533316
Energy: 0.4021752716885957

minimum gb energy = 0.3599984849035855 eV
minimum distance =  2.44611966050798 Angstroms
sigma value = 25


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

Energy: 0.5394874026818619
Energy: 0.4504934576719477
Energy: 0.5239004923640727
Energy: 0.45049345767114324
Energy: 0.3835511296669518
Energy: 0.4685413782355505
Energy: 0.40947645151625367
Energy: 0.4685413782355505
Energy: 0.5083279952488823
Energy: 0.4307418703320269
Energy: 0.4857704150054605
Energy: 0.4307418703320269
Energy: 0.42584589040309456
Energy: 0.47423110228109144
Energy: 0.4094584536355261
Energy: 0.47423110228109144
Energy: 0.48628967827718006
Energy: 0.41912246192034086
Energy: 0.40823107980085016
Energy: 0.4191224619211453
Energy: 0.4065788058542553
Energy: 0.4274378284870287
Energy: 0.4557991359784516
Energy: 0.4274378284870287
Energy: 0.4101876500577946
Energy: 0.37925252479544713
Energy: 0.4105820332153114
Energy: 0.37925252479544713
Energy: 0.419801447288244
Energy: 0.3985993537906681
Energy: 0.424180209640632
Energy: 0.3985993537906681
Energy: 0.41161720030463006
Energy: 0.3811098347552216
Energy: 0.4279265247238404
Energy: 0.3811098347552216
Energy: 0.4085459373118855
Energy: 0.426965825555805
Energy: 0.43974447703519054
Energy: 0.4269658255550005
Energy: 0.5387234470890996
Energy: 0.41990429832439763
Energy: 0.40771615401282124
Energy: 0.4199042983252021
Energy: 0.443289815664657
Energy: 0.4571339592162673
Energy: 0.40561874952366955
Energy: 0.45713395921707173
Energy: 0.40373341235378923
Energy: 0.40915964140615374
Energy: 0.5377775739122913
Energy: 0.40915964140615374
Energy: 0.40481513569704564
Energy: 0.4976805503246682
Energy: 0.38372220368435317
Energy: 0.4976805503246682
Energy: 0.4833070083193244
Energy: 0.536682349546822
Energy: 0.4069418795582943
Energy: 0.5366823495460176
Energy: 0.40612604393653573
Energy: 0.46907041513229564
Energy: 0.4258846614709609
Energy: 0.46907041513229564
Energy: 0.41038549046397377
Energy: 0.4173490853665442
Energy: 0.483893615456008
Energy: 0.4173490853665442
Energy: 0.4405043370499247
Energy: 0.42899284060423054
Energy: 0.40676293515742057
Energy: 0.42899284060423054
Energy: 0.4108121345583185
Energy: 0.3794133309505993
Energy: 0.4114667863991564
Energy: 0.3794133309505993
Energy: 0.42542101462025417
Energy: 0.40030561750121263
Energy: 0.421819890467455
Energy: 0.40030561750121263
Energy: 0.42894696719874525
Energy: 0.38202005813244805
Energy: 0.4134934709617811
Energy: 0.38202005813244805
Energy: 0.4342947734600428
Energy: 0.3998053590649225
Energy: 0.4065068982753536
Energy: 0.399805359065727
Energy: 0.4315203596810862
Energy: 0.4194182452575252
Energy: 0.42343120969176584
Energy: 0.4194182452575252
Energy: 0.4055053801143917
Energy: 0.4188845736167961
Energy: 0.4230561091876506
Energy: 0.4188845736167961
Energy: 0.5383822573633471
Energy: 0.40456668798033557
Energy: 0.40399634346734237
Energy: 0.40456668798033557

minimum gb energy = 0.37925252479544713 eV
minimum distance =  2.44520474243987 Angstroms
sigma value = 9


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

Energy: 0.4942261880022357
Energy: 0.46618199168862845
Energy: 0.5639734243031792
Energy: 0.46618199168862845
Energy: 0.3750855770805023
Energy: 0.4860140583446415
Energy: 0.40683375575155467
Energy: 0.4860140583446415
Energy: 0.5160502728985228
Energy: 0.42195402893941836
Energy: 0.5862331436466984
Energy: 0.4219540289384587
Energy: 0.4058227740440831
Energy: 0.48487241837951
Energy: 0.4067909112229314
Energy: 0.4848724183804697
Energy: 0.4447799697049064
Energy: 0.432483921933164
Energy: 0.407082346814622
Energy: 0.43248392193220436
Energy: 0.4097152462642518
Energy: 0.4329561958979446
Energy: 0.43808687072655755
Energy: 0.4329561958979446
Energy: 0.397526960625812
Energy: 0.39178971089609455
Energy: 0.4453027965128307
Energy: 0.39178971089705417
Energy: 0.4388388698357618
Energy: 0.43288975254876
Energy: 0.4091228552072383
Energy: 0.4328897525497197
Energy: 0.406244175834674
Energy: 0.4300388248012982
Energy: 0.4893672878384539
Energy: 0.4300388248022578
Energy: 0.3984422366558097
Energy: 0.45614886459897397
Energy: 0.4337920255325705
Energy: 0.45614886459897397
Energy: 0.48916830541286055
Energy: 0.41927602532109215
Energy: 0.40643619381610785
Energy: 0.41927602532109215
Energy: 0.3759587585771028
Energy: 0.478309035844296
Energy: 0.406846621216718
Energy: 0.478309035844296
Energy: 0.40053675678141776
Energy: 0.5379078606697922
Energy: 0.41383868606809493
Energy: 0.5379078547963602
Energy: 0.406712962782948
Energy: 0.48442651077980514
Energy: 0.40669067783680546
Energy: 0.48442651077980514
Energy: 0.4439896091329834
Energy: 0.43211216037531797
Energy: 0.4042952839107302
Energy: 0.43211216037531797
Energy: 0.40923305626359063
Energy: 0.4312214609243495
Energy: 0.4174380791929068
Energy: 0.4312214609243495
Energy: 0.3991038479909011
Energy: 0.3912837173284257
Energy: 0.4456812597057491
Energy: 0.3912837173293853
Energy: 0.3995978211801213
Energy: 0.4083672079633501
Energy: 0.4127005012224926
Energy: 0.40836720796430975
Energy: 0.40984443024228373
Energy: 0.41580473967015685
Energy: 0.4864650746867212
Energy: 0.41580473967015685
Energy: 0.39817972815911207
Energy: 0.4329953211429652
Energy: 0.4348583293162439
Energy: 0.4329953211429652
Energy: 0.48663194305423896
Energy: 0.3962928177839143
Energy: 0.40139071292511136
Energy: 0.39629281778295466

minimum gb energy = 0.3750855770805023 eV
minimum distance =  2.43320607816844 Angstroms
sigma value = 25


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

Energy: 0.44961065964951596
Energy: 0.42228294805670635
Energy: 0.4088134398022586
Energy: 0.42228294805670635
Energy: 0.4105433560841042
Energy: 0.487646453103209
Energy: 0.42892719581944294
Energy: 0.487646453103209
Energy: 0.5198684152707458
Energy: 0.42336706552368303
Energy: 0.4472382275725941
Energy: 0.42336706552368303
Energy: 0.40280693736978335
Energy: 0.4863852968289396
Energy: 0.4052565051696105
Energy: 0.4863852968277528
Energy: 0.4132545678716519
Energy: 0.4519337992076754
Energy: 0.40346737599646687
Energy: 0.45193379920886223
Energy: 0.415625947404805
Energy: 0.4549722202825497
Energy: 0.42711418905631515
Energy: 0.4549722202825497
Energy: 0.43717533117823426
Energy: 0.41552498223847834
Energy: 0.41408110650025004
Energy: 0.4155249822372915
Energy: 0.42913961570591624
Energy: 0.4550327728645118
Energy: 0.4050483142532238
Energy: 0.4550327728645118
Energy: 0.4041006469196663
Energy: 0.4047349889883839
Energy: 0.41138342006466516
Energy: 0.40473498898601024
Energy: 0.405188314523006
Energy: 0.4861717676164299
Energy: 0.4109429851043758
Energy: 0.4861717676164299
Energy: 0.43293017319341903
Energy: 0.557617070646989
Energy: 0.4052667935559328
Energy: 0.557617070646989
Energy: 0.41583116093160516
Energy: 0.48528882430803444
Energy: 0.40393187234801803
Energy: 0.48528882430803444
Energy: 0.40511254452710754
Energy: 0.4192512505325088
Energy: 0.4134510937084756
Energy: 0.419251250531349
Energy: 0.40383020579420187
Energy: 0.4450850517036745
Energy: 0.41794869594002504
Energy: 0.4450850517036745
Energy: 0.4151387549597222
Energy: 0.4393408234036788
Energy: 0.4247521947151003
Energy: 0.4393408234036788
Energy: 0.4067048499020217
Energy: 0.4687874307508484
Energy: 0.4364532817024535
Energy: 0.4687874307508484
Energy: 0.4113244859464127
Energy: 0.4403809595124932
Energy: 0.40090284579302415
Energy: 0.4403809595124932

minimum gb energy = 0.40090284579302415 eV
minimum distance =  2.45026115957513 Angstroms
sigma value = 17


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

Energy: 0.623391675135796
Energy: 0.5726189064659235
Energy: 0.6562558104127492
Energy: 0.5726189064659235
Energy: 0.4284413978425738
Energy: 0.4874436277114962
Energy: 0.42900951827407796
Energy: 0.4874436277114962
Energy: 0.44081996840955445
Energy: 0.5061403915295549
Energy: 0.45665034755338424
Energy: 0.5061403915295549
Energy: 0.3920455777477939
Energy: 0.4607872428146338
Energy: 0.4297476291012792
Energy: 0.4607872428153059
Energy: 0.4566473320888625
Energy: 0.47652916542678375
Energy: 0.4184619112419249
Energy: 0.4765291654274558
Energy: 0.42803524382442915
Energy: 0.4640037887785462
Energy: 0.4480970255888225
Energy: 0.4640037887785462
Energy: 0.4903403043512019
Energy: 0.3869707213269516
Energy: 0.3877181855725482
Energy: 0.38697072132627947
Energy: 0.42249947671471744
Energy: 0.49723021533838474
Energy: 0.41113840044035344
Energy: 0.49723021533838474
Energy: 0.5035145005322655
Energy: 0.4523601801494949
Energy: 0.4652971395886591
Energy: 0.452360180037306
Energy: 0.40710036257325904
Energy: 0.4659630415939307
Energy: 0.43789215813597915
Energy: 0.4659630415939307
Energy: 0.4552494989865099
Energy: 0.4915404484580602
Energy: 0.4136955632630083
Energy: 0.4915404484580602
Energy: 0.4268508534307277
Energy: 0.44384438008820903
Energy: 0.4039760116843101
Energy: 0.44384438008955335
Energy: 0.43192345765418577
Energy: 0.46134736790411257
Energy: 0.402651107502738
Energy: 0.46134736790411257
Energy: 0.4905234246683908
Energy: 0.4906934699949474
Energy: 0.40938027495439266
Energy: 0.4906934699949474
Energy: 0.40692074962730035
Energy: 0.40700399165237344
Energy: 0.42158128236076237
Energy: 0.4070039916530455
Energy: 0.43030491196817944
Energy: 0.40623422936822373
Energy: 0.4212885354821618
Energy: 0.40623422934335396
Energy: 0.4293756642590571
Energy: 0.4993593740283857
Energy: 0.4109700336605562
Energy: 0.4993593740283857
Energy: 0.42954182722452455
Energy: 0.3868863600480387
Energy: 0.3862864043003624
Energy: 0.3868863600480387
Energy: 0.4298313025480864
Energy: 0.4630244086263727
Energy: 0.4557762456492333
Energy: 0.4630244086263727
Energy: 0.4193043608397365
Energy: 0.46314405538477843
Energy: 0.434128099837972
Energy: 0.46314405538477843
Energy: 0.3879268672268732
Energy: 0.45875809507988513
Energy: 0.42261618902200687
Energy: 0.458758095079213
Energy: 0.439269865496603
Energy: 0.5508546343761429
Energy: 0.4932188887769733
Energy: 0.5508546343768151
Energy: 0.4286886015826615
Energy: 0.45457213538821084
Energy: 0.4292595840846481
Energy: 0.45457213538821084
Energy: 0.46512063867244785
Energy: 0.531990402277968
Energy: 0.48028835261583674
Energy: 0.5319904022813288
Energy: 0.411305703309202
Energy: 0.506140641166888
Energy: 0.407818736769636
Energy: 0.5061406411662157
Energy: 0.4037586352770242
Energy: 0.43736042462931607
Energy: 0.4544532852209888
Energy: 0.43736042462931607
Energy: 0.43777828032065225
Energy: 0.43527564743656316
Energy: 0.4259346797816073
Energy: 0.43527564743656316
Energy: 0.404436460106554
Energy: 0.4942518094755558
Energy: 0.4924345694847918
Energy: 0.4942518094755558
Energy: 0.4270202233015827
Energy: 0.4670609650789606
Energy: 0.42263893891216264
Energy: 0.4670609650789606
Energy: 0.42142802211103264
Energy: 0.4626497843993024
Energy: 0.5321698207131423
Energy: 0.4626497843925808

minimum gb energy = 0.3862864043003624 eV
minimum distance =  2.44101108916913 Angstroms
sigma value = 53


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

Energy: 0.5527284138734865
Energy: 0.3361477602049972
Energy: 0.46160350754297863
Energy: 0.3361477602049972
Energy: 0.3917658933127566
Energy: 0.493321098153283
Energy: 0.3685201302285389
Energy: 0.493321098153283
Energy: 0.45992455794758275
Energy: 0.5553514201528988
Energy: 0.42358023216348506
Energy: 0.5553514201528988
Energy: 0.3595270882530098
Energy: 0.4113255314835661
Energy: 0.36860049309338855
Energy: 0.4113255314835661
Energy: 0.4237928597893153
Energy: 0.35249613969808835
Energy: 0.32219870470169953
Energy: 0.3524961396996358
Energy: 0.3580635160341841
Energy: 0.44839844928599193
Energy: 0.3229433766788203
Energy: 0.44839844928599193
Energy: 0.5200947815749428
Energy: 0.3631433035658072
Energy: 0.4589951852476529
Energy: 0.3631433035658072
Energy: 0.38897746251797144
Energy: 0.4538131249259177
Energy: 0.36882962866885693
Energy: 0.4538131249259177
Energy: 0.460207330430347
Energy: 0.5567655392345715
Energy: 0.42235740664347127
Energy: 0.5567655392345715
Energy: 0.35842028199464715
Energy: 0.41233177985501324
Energy: 0.3689985783511128
Energy: 0.41233177985656067
Energy: 0.42442823049587364
Energy: 0.4144972454386412
Energy: 0.3221775105683198
Energy: 0.41449724543709376
Energy: 0.36990227646116924
Energy: 0.41837870069746286
Energy: 0.32493306654368403
Energy: 0.41837870069746286
Energy: 0.38918348793997365
Energy: 0.35835095299276115
Energy: 0.3583282522993791
Energy: 0.35835095299276115

minimum gb energy = 0.3221775105683198 eV
minimum distance =  2.4726413450306 Angstroms
sigma value = 9


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

Energy: 0.5357993808116978
Energy: 0.4302023451802501
Energy: 0.5742411840587244
Energy: 0.4302023451785319
Energy: 0.4098627587079162
Energy: 0.4759837587147661
Energy: 0.47209027382095825
Energy: 0.4759837587147661
Energy: 0.39405191498807524
Energy: 0.46965574539611066
Energy: 0.48643293217950084
Energy: 0.4696557453966834
Energy: 0.3825466435604814
Energy: 0.39268392004007074
Energy: 0.47053998163706573
Energy: 0.39268392003949804
Energy: 0.39628516887343174
Energy: 0.4713929267211124
Energy: 0.47928982507004836
Energy: 0.47139292672168515
Energy: 0.40897430625154485
Energy: 0.4575121953657752
Energy: 0.4769667746338249
Energy: 0.4575121953652025
Energy: 0.5041754749842405
Energy: 0.4636133733613078
Energy: 0.48524454441810905
Energy: 0.46361337336073505
Energy: 0.4740390455399746
Energy: 0.4552639534748982
Energy: 0.4403983549950607
Energy: 0.4552639534748982
Energy: 0.4086455689071752
Energy: 0.4842331545793639
Energy: 0.4111447168451219
Energy: 0.4842331545799366
Energy: 0.3748993137234291
Energy: 0.41437773023933805
Energy: 0.4516208965276127
Energy: 0.41437773023991076
Energy: 0.3948842465596794
Energy: 0.40533033536446605
Energy: 0.4729165878014675
Energy: 0.40533033536446605
Energy: 0.450390941135568
Energy: 0.43830944597795074
Energy: 0.5247003658647761
Energy: 0.43830944597852345
Energy: 0.475535269591651
Energy: 0.4069874970124166
Energy: 0.4383526884806233
Energy: 0.4069874970124166
Energy: 0.503447183090628
Energy: 0.42289802611441585
Energy: 0.415327160697533
Energy: 0.42289802611441585
Energy: 0.44123439435262746
Energy: 0.4152203721912004
Energy: 0.4190821414596394
Energy: 0.4152203721912004
Energy: 0.44513033194227913
Energy: 0.5272846462124173
Energy: 0.4175102181867719
Energy: 0.5272846462129901
Energy: 0.452463156997308
Energy: 0.4784866580510619
Energy: 0.3964474176573639
Energy: 0.4784866580510619
Energy: 0.5741117270982855
Energy: 0.4723508931870815
Energy: 0.5337858511388167
Energy: 0.4723508931870815
Energy: 0.47103904444470995
Energy: 0.47534790282343015
Energy: 0.431444773797031
Energy: 0.4753479028205665
Energy: 0.490853435784555
Energy: 0.46721839373787794
Energy: 0.395143930686613
Energy: 0.46721839373845064
Energy: 0.47068053693786277
Energy: 0.39261519957032404
Energy: 0.3825035389220221
Energy: 0.3926151995697513
Energy: 0.47763033935087107
Energy: 0.37905032016520285
Energy: 0.37889469998575903
Energy: 0.37905032016520285
Energy: 0.4789865360444783
Energy: 0.456604037110709
Energy: 0.41032368491283944
Energy: 0.4566040371112818
Energy: 0.46411924993636106
Energy: 0.5083509304648006
Energy: 0.5027509698014088
Energy: 0.5083509304642279
Energy: 0.4434073726163028
Energy: 0.4500330398172155
Energy: 0.4754448873652298
Energy: 0.45003303981607007
Energy: 0.4121009323635953
Energy: 0.486100297440233
Energy: 0.4100295954142593
Energy: 0.48610029743966027
Energy: 0.4646072105222871
Energy: 0.41420664322237793
Energy: 0.3744443378076006
Energy: 0.4142066432218052
Energy: 0.47096659203480257
Energy: 0.4168762345278387
Energy: 0.395511345404673
Energy: 0.4168762345284114
Energy: 0.5262576011739393
Energy: 0.43527826225629895
Energy: 0.4482612531306719
Energy: 0.43527826225572624
Energy: 0.43892406272265694
Energy: 0.4683337070042241
Energy: 0.4740407712522531
Energy: 0.4683337070047969
Energy: 0.41698130548747275
Energy: 0.4333243665680537
Energy: 0.48596976874497055
Energy: 0.4333243665680537
Energy: 0.4201632069184049
Energy: 0.4213366723531465
Energy: 0.4402145310834883
Energy: 0.42133667234341016
Energy: 0.4143971395925934
Energy: 0.5279859409000842
Energy: 0.44596516788202567
Energy: 0.5279859409000842
Energy: 0.3964187362026869
Energy: 0.47608968700255505
Energy: 0.43995372292740065
Energy: 0.47608968700312776
Energy: 0.5260254133595552
Energy: 0.44643790705900854
Energy: 0.49407908126449585
Energy: 0.44643790705843583

minimum gb energy = 0.3744443378076006 eV
minimum distance =  2.43206511159919 Angstroms
sigma value = 73


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

Energy: 0.5475735737695938
Energy: 0.4096393713854199
Energy: 0.5511553908726359
Energy: 0.4096393713845112
Energy: 0.5191196616326639
Energy: 0.4547242033446267
Energy: 0.48390296244878217
Energy: 0.45472420334553537
Energy: 0.3977241678230745
Energy: 0.46860355938484627
Energy: 0.4628232788950623
Energy: 0.46860355938484627
Energy: 0.4053385262826921
Energy: 0.3969833858138466
Energy: 0.49220286399899155
Energy: 0.39698338581293796
Energy: 0.40269065081573713
Energy: 0.4966866988346252
Energy: 0.48296829230825705
Energy: 0.4966866988346252
Energy: 0.4169238022733472
Energy: 0.4731092568324904
Energy: 0.48335606680075166
Energy: 0.47310925683158167
Energy: 0.5018537400805981
Energy: 0.4915381100562475
Energy: 0.4959102568791521
Energy: 0.4915381100571562
Energy: 0.4834034390100253
Energy: 0.4600283234332862
Energy: 0.4476150622398066
Energy: 0.46002832343237754
Energy: 0.41873718842332663
Energy: 0.4699418949771453
Energy: 0.4692713130662024
Energy: 0.4699418949771453
Energy: 0.4047395378245127
Energy: 0.4541081947260016
Energy: 0.451371097246193
Energy: 0.4541081947260016
Energy: 0.4500300671119832
Energy: 0.39722559979607536
Energy: 0.48595716903808545
Energy: 0.397225599796984
Energy: 0.40861344330812294
Energy: 0.47020905825250964
Energy: 0.48974315380839234
Energy: 0.47020905825341835
Energy: 0.4691631290109183
Energy: 0.4844396412963236
Energy: 0.48294093044121095
Energy: 0.48443964129178024
Energy: 0.463153365453836
Energy: 0.4183532090460851
Energy: 0.453007230099831
Energy: 0.41835320904519707
Energy: 0.4661840676964049
Energy: 0.4096977938646397
Energy: 0.4101589439165439
Energy: 0.4096977938646397
Energy: 0.5132477841067417
Energy: 0.4961867576672551
Energy: 0.40259441746416613
Energy: 0.4961867576672551
Energy: 0.48605497249754015
Energy: 0.5217828740173213
Energy: 0.44140812502265675
Energy: 0.5217828740164125
Energy: 0.46672623701186183
Energy: 0.45793094391485767
Energy: 0.5099686777070067
Energy: 0.45793094391485767
Energy: 0.45352400901885137
Energy: 0.45262924412350003
Energy: 0.483780237160746
Energy: 0.4526292441244087
Energy: 0.44577921065669684
Energy: 0.4425199751706456
Energy: 0.43524475410276825
Energy: 0.4425199751706456
Energy: 0.4606225361743156
Energy: 0.4357781844532082
Energy: 0.406105937966276
Energy: 0.4357781844532082
Energy: 0.5014027898959932
Energy: 0.4497866176289516
Energy: 0.4736885920384699
Energy: 0.4497866176289516

minimum gb energy = 0.39698338581293796 eV
minimum distance =  2.41652590138845 Angstroms
sigma value = 7


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

Energy: 0.6106023464848622
Energy: 0.40402129888962884
Energy: 0.5605655009873802
Energy: 0.4040212988915564
Energy: 0.5012064768868889
Energy: 0.518877027821519
Energy: 0.4915129310801803
Energy: 0.5188770278228041
Energy: 0.39208875523065584
Energy: 0.4895013379401732
Energy: 0.42804541681720376
Energy: 0.4895013379414582
Energy: 0.39835472331295674
Energy: 0.39183375026208794
Energy: 0.4969732269671869
Energy: 0.39183375026208794
Energy: 0.4344679774813221
Energy: 0.4204108017323912
Energy: 0.4725034558299717
Energy: 0.4204108017336762
Energy: 0.5103464059264442
Energy: 0.47536846523691384
Energy: 0.4737398429560739
Energy: 0.47536846523691384
Energy: 0.49419087617776625
Energy: 0.5080154882554864
Energy: 0.4488217005436464
Energy: 0.5080154882567715
Energy: 0.4903734688292174
Energy: 0.4097112860063383
Energy: 0.43121139203758513
Energy: 0.4097112860063383
Energy: 0.49583190029887114
Energy: 0.39087533164776717
Energy: 0.3846415218842725
Energy: 0.3908753316464821
Energy: 0.4743421348443753
Energy: 0.4949768640229088
Energy: 0.39249235140294164
Energy: 0.49497686402419383
Energy: 0.4986495256364805
Energy: 0.4463109296961232
Energy: 0.5035891783225432
Energy: 0.4463109296954807
Energy: 0.4548798417523806
Energy: 0.4688013149482366
Energy: 0.49195989355270714
Energy: 0.46880131494630906
Energy: 0.45718108887809
Energy: 0.4286267246030889
Energy: 0.4779122519061499
Energy: 0.4286267246030889
Energy: 0.4337680324822434
Energy: 0.43288916162931185
Energy: 0.38898008151048835
Energy: 0.4328891616260992
Energy: 0.4753185910374253
Energy: 0.4284946706685632
Energy: 0.3998136875622776
Energy: 0.4284946706717759
Energy: 0.504024062774751
Energy: 0.4695621166271958
Energy: 0.44118951866667233
Energy: 0.4695621166278383
Energy: 0.5043162367560182
Energy: 0.45698987953899656
Energy: 0.5128747318711059
Energy: 0.45698987953899656
Energy: 0.4144219658819573
Energy: 0.5145007174952716
Energy: 0.4277392484699586
Energy: 0.5145007174965567
Energy: 0.3848066399804002
Energy: 0.3915099816672497
Energy: 0.49165681533031297
Energy: 0.3915099816666072
Energy: 0.43126409660801024
Energy: 0.4136965050808537
Energy: 0.5053260444197166
Energy: 0.41369650508213873
Energy: 0.4555642754012224
Energy: 0.5204855003052142
Energy: 0.4706797201554392
Energy: 0.5204855003045717
Energy: 0.49207776705039125
Energy: 0.49272793441205964
Energy: 0.45621217680893816
Energy: 0.49272793440948953
Energy: 0.4930267197331186
Energy: 0.41184279619069525
Energy: 0.4338146812238599
Energy: 0.4118427961887969
Energy: 0.49397276718906497
Energy: 0.39102650285912216
Energy: 0.39825781088725787
Energy: 0.391026502857837
Energy: 0.47431531983644154
Energy: 0.4889455086969234
Energy: 0.3922476758789889
Energy: 0.488945508697566
Energy: 0.47638262782686336
Energy: 0.49585575761260553
Energy: 0.4796490392108101
Energy: 0.495855757611963
Energy: 0.5601336945701373
Energy: 0.550915848057017
Energy: 0.5394222702514039
Energy: 0.5509158479985757
Energy: 0.4553838386786007
Energy: 0.4280357171466818
Energy: 0.4781869050187631
Energy: 0.4280357171453968
Energy: 0.430395138356787
Energy: 0.4311955683602022
Energy: 0.43379508744716694
Energy: 0.4311955683608446
Energy: 0.45731836391313374
Energy: 0.433034717048837
Energy: 0.39539405653107945
Energy: 0.433034717048837
Energy: 0.5089614320650158
Energy: 0.4667341033068357
Energy: 0.47431002965012115
Energy: 0.4667341033004104

minimum gb energy = 0.3846415218842725 eV
minimum distance =  2.44408807305624 Angstroms
sigma value = 29


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

Energy: 0.31399218712161664
Energy: 0.31425816215432556
Energy: 1.568326343744453
Energy: 0.3142581621545493
Energy: 0.3140865435518274
Energy: 0.3663977001777635
Energy: 0.3214159537706869
Energy: 0.3663977001777635
Energy: 0.32214317258217273
Energy: 0.3454987972993389
Energy: 0.3203273289810233
Energy: 0.34549879729956273
Energy: 0.314026015296553
Energy: 0.3211534396720417
Energy: 0.3223775033797076
Energy: 0.3211534396722655
Energy: 0.32138760034623787
Energy: 0.44139960620906527
Energy: 0.3140072779628978
Energy: 0.44139960620906527
Energy: 0.3213068461872139
Energy: 0.3680340473003283
Energy: 0.3140456894579066
Energy: 0.36803404730075107
Energy: 0.3196478538427513
Energy: 0.3456139350943256
Energy: 0.3225531100538321
Energy: 0.34561393509452454
Energy: 0.4205711679019921
Energy: 0.32135268201083805
Energy: 0.33739626736248335
Energy: 0.32135268201061423
Energy: 0.31400661647794054
Energy: 0.3216305275810647
Energy: 0.32173953009257733
Energy: 0.3216305275808658

minimum gb energy = 0.31399218712161664 eV
minimum distance =  2.45101729622273 Angstroms
sigma value = 5


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

Energy: 0.4919614544448382
Energy: 0.5045025844710114
Energy: 0.6454694911406821
Energy: 0.5045025844716183
Energy: 0.4793785866936818
Energy: 0.4320688907461423
Energy: 0.4440162078137062
Energy: 0.4320688907461423
Energy: 0.4432038858719727
Energy: 0.46969976026943955
Energy: 0.4391595326637543
Energy: 0.46969976026822563
Energy: 0.38841630649797954
Energy: 0.43789613165497826
Energy: 0.48911402159548156
Energy: 0.4378961316555852
Energy: 0.4477289476704453
Energy: 0.3694513256234087
Energy: 0.4946934551290151
Energy: 0.3694513256234087
Energy: 0.39840982662559354
Energy: 0.3695353279955146
Energy: 0.49394153064393376
Energy: 0.36953532799490757
Energy: 0.3695157777943476
Energy: 0.36954793688919285
Energy: 0.48839755959966163
Energy: 0.3695479368897998
Energy: 0.36929192655709697
Energy: 0.48279515678344154
Energy: 0.4897330657980269
Energy: 0.48279515678344154
Energy: 0.48090174791003043
Energy: 0.486703678474847
Energy: 0.48886753940147243
Energy: 0.486703678474847
Energy: 0.43875016933954386
Energy: 0.4252594005429674
Energy: 0.44782511868874103
Energy: 0.4252594005435744
Energy: 0.47923402062838494
Energy: 0.3509751019730932
Energy: 0.35433884890833095
Energy: 0.3509751019730932
Energy: 0.48787625594662387
Energy: 0.3543792303448543
Energy: 0.3506953177335458
Energy: 0.35437923034546126
Energy: 0.4888779539982924
Energy: 0.426682493259564
Energy: 0.45238829871046504
Energy: 0.426682493259564
Energy: 0.46408327459385174
Energy: 0.4818724771541048
Energy: 0.44228772365396923
Energy: 0.48187247715471176
Energy: 0.3715330775904334
Energy: 0.4048823052816606
Energy: 0.4425818432013869
Energy: 0.4048823052816606
Energy: 0.3726239340943401
Energy: 0.3701047211890459
Energy: 0.47556191262061115
Energy: 0.3701047211890459
Energy: 0.3723989754032285
Energy: 0.36968970556108893
Energy: 0.49513586067206855
Energy: 0.369689705559875
Energy: 0.47185288000812403
Energy: 0.43214177273415744
Energy: 0.4811339972011908
Energy: 0.43214177273415744
Energy: 0.43866059444068695
Energy: 0.47122366657575576
Energy: 0.44263353245441794
Energy: 0.4712236665751488
Energy: 0.4900264185339548
Energy: 0.4353086578087457
Energy: 0.386538745158282
Energy: 0.43530865780692485
Energy: 0.4934849280591424
Energy: 0.3960005751997574
Energy: 0.4659306059215453
Energy: 0.3960005751997574
Energy: 0.49606356415613356
Energy: 0.3697602873491093
Energy: 0.39931393655902236
Energy: 0.3697602873491093
Energy: 0.48926498096071375
Energy: 0.36929288806117266
Energy: 0.37062002929991333
Energy: 0.36929288806056576
Energy: 0.48951625528338005
Energy: 0.4875535326385748
Energy: 0.3735698896497111
Energy: 0.48755353263736095
Energy: 0.48792623564566634
Energy: 0.4888198428423424
Energy: 0.46624981376573865
Energy: 0.48881984284355623
Energy: 0.560158279883428
Energy: 0.42610271671454236
Energy: 0.43895802735298645
Energy: 0.42610271671454236
Energy: 0.353889766062187
Energy: 0.35101009729232735
Energy: 0.4809161427518153
Energy: 0.35101009729232735
Energy: 0.37806525121784235
Energy: 0.35160381935816554
Energy: 0.4995888618080327
Energy: 0.35160381935816554
Energy: 0.448052741390152
Energy: 0.42508638344976707
Energy: 0.48898898972630983
Energy: 0.42508638345037403
Energy: 0.4417036671963662
Energy: 0.4931226093715396
Energy: 0.4838496389190099
Energy: 0.4931226093715396
Energy: 0.44316478237997214
Energy: 0.4279697465367783
Energy: 0.3741161218566075
Energy: 0.4279697465367783
Energy: 0.4740241967282149
Energy: 0.37014487568486587
Energy: 0.37341954618833234
Energy: 0.37014487568486587
Energy: 0.494448176144971
Energy: 0.36926632889154704
Energy: 0.3704283123425671
Energy: 0.3692663288909401

minimum gb energy = 0.3506953177335458 eV
minimum distance =  2.43294669025289 Angstroms
sigma value = 1


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

Energy: 0.5332397470469095
Energy: 0.4408048173820285
Energy: 0.3985384732776715
Energy: 0.4408048173820285
Energy: 0.5070445661443322
Energy: 0.36326142276219886
Energy: 0.47143689620590445
Energy: 0.36326142276303813
Energy: 0.4513777075424506
Energy: 0.46817932354926284
Energy: 0.458195780134962
Energy: 0.4681793235484236
Energy: 0.41460074556561793
Energy: 0.4398171305394443
Energy: 0.4894769232975154
Energy: 0.4398171305402835
Energy: 0.43229646030712204
Energy: 0.37380219910789764
Energy: 0.5072424668238854
Energy: 0.37380219910789764
Energy: 0.40995142744544005
Energy: 0.3737500065979177
Energy: 0.5079392363707251
Energy: 0.3737500065979177
Energy: 0.37349604277858234
Energy: 0.37340433113447385
Energy: 0.5001077616952703
Energy: 0.3734043311336346
Energy: 0.4392194255478212
Energy: 0.41270953241523944
Energy: 0.5347670967101992
Energy: 0.41270953241523944
Energy: 0.49822023669133386
Energy: 0.42633021290417894
Energy: 0.5128477859119877
Energy: 0.42633021290501816
Energy: 0.4858408628866797
Energy: 0.3920269239888618
Energy: 0.37754247132365376
Energy: 0.3920269239888618
Energy: 0.4857594915178237
Energy: 0.37876700818600784
Energy: 0.38009934447541893
Energy: 0.3787670081851686
Energy: 0.49423285290842034
Energy: 0.3763913327540484
Energy: 0.36798856874840646
Energy: 0.3763913327540484
Energy: 0.5166425731372288
Energy: 0.33029463479396126
Energy: 0.4439547074421418
Energy: 0.33029463479396126
Energy: 0.43069527885534514
Energy: 0.45436888197650543
Energy: 0.460918120361794
Energy: 0.45436888197650543
Energy: 0.4155377473235361
Energy: 0.4565373296083624
Energy: 0.460614239469484
Energy: 0.4565373296083624
Energy: 0.4192486117709981
Energy: 0.43213209413585535
Energy: 0.49197928049837847
Energy: 0.43213209413501613
Energy: 0.4543183817484541
Energy: 0.4292944841971344
Energy: 0.5205613682257767
Energy: 0.4292944841971344
Energy: 0.37396065849443305
Energy: 0.37404567858098897
Energy: 0.521455969733167
Energy: 0.37404567858098897
Energy: 0.3867573710899026
Energy: 0.42083411862335524
Energy: 0.512225463503749
Energy: 0.42083411862335524
Energy: 0.37395904058090607
Energy: 0.45785195856557176
Energy: 0.5140547334810677
Energy: 0.45785195856641103
Energy: 0.47815408836731643
Energy: 0.3778542107387649
Energy: 0.4881441241140195
Energy: 0.37785421073792574
Energy: 0.48470000219212306
Energy: 0.4244950846937612
Energy: 0.3625198393242171
Energy: 0.4244950846937612
Energy: 0.5037772617059368
Energy: 0.3635148220435292
Energy: 0.36463931936156757
Energy: 0.3635148220435292
Energy: 0.5327375163865808
Energy: 0.3629319237337857
Energy: 0.36388810306420805
Energy: 0.3629319237346249

minimum gb energy = 0.33029463479396126 eV
minimum distance =  2.42396581557531 Angstroms
sigma value = 17


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

Energy: 0.5621153061516095
Energy: 0.5380412749232548
Energy: 0.6486977535753442
Energy: 0.5380412749237734
Energy: 0.5279481853580203
Energy: 0.42100498156947375
Energy: 0.43781425020242803
Energy: 0.4210049815699924
Energy: 0.4783584332508401
Energy: 0.4663334222301682
Energy: 0.4269917687658986
Energy: 0.4663334222301682
Energy: 0.4685810981984222
Energy: 0.48016579891256644
Energy: 0.49698308828754617
Energy: 0.4801657989115291
Energy: 0.4764073054980486
Energy: 0.3645210700234467
Energy: 0.513706080113863
Energy: 0.3645210700234467
Energy: 0.3709086485911553
Energy: 0.365243334654765
Energy: 0.5227342221695725
Energy: 0.36524333465424635
Energy: 0.35726069041673875
Energy: 0.3570783058603624
Energy: 0.5060758823402798
Energy: 0.3570783058608811
Energy: 0.4342320722308787
Energy: 0.36316516339102467
Energy: 0.5576783256678304
Energy: 0.36316516339102467
Energy: 0.4950202689766796
Energy: 0.4903540359365509
Energy: 0.5241995480150176
Energy: 0.4903540359365509
Energy: 0.42558081036666306
Energy: 0.4878217266333734
Energy: 0.4327768968199145
Energy: 0.4878217266333734
Energy: 0.5035949810102742
Energy: 0.49030569900187826
Energy: 0.38168734898612094
Energy: 0.49030569900239696
Energy: 0.5218398857388593
Energy: 0.43495563482957356
Energy: 0.4607402512618768
Energy: 0.43495563482957356
Energy: 0.5410480569043891
Energy: 0.3712234478693725
Energy: 0.37078672282664754
Energy: 0.3712234478698912
Energy: 0.5104017600444818
Energy: 0.37077097861219316
Energy: 0.3715985835156628
Energy: 0.3707709786127119
Energy: 0.46947804476125665
Energy: 0.44121286274210864
Energy: 0.3778542216009878
Energy: 0.44121286274158994
Energy: 0.5195239527657588
Energy: 0.49543916378900366
Energy: 0.5051038166450035
Energy: 0.49543916378848507
Energy: 0.4258688035046722
Energy: 0.4594732191462943
Energy: 0.5144100912880318
Energy: 0.4594732191462943
Energy: 0.37261144453533657
Energy: 0.4519255646962467
Energy: 0.5128562690694721
Energy: 0.4519255646962467
Energy: 0.40053448814862785
Energy: 0.37006541266103254
Energy: 0.5228308701333562
Energy: 0.3700654126599951
Energy: 0.520433923663164
Energy: 0.3705530901498998
Energy: 0.5594991871857594
Energy: 0.3705530901509371
Energy: 0.43443983576249917
Energy: 0.42066317712048323
Energy: 0.5251801827892367
Energy: 0.4206631771210019
Energy: 0.43150188949508694
Energy: 0.46630924120612266
Energy: 0.47727464093853644
Energy: 0.46630924120664136
Energy: 0.5116846365907246
Energy: 0.48309618858453074
Energy: 0.4693721412683492
Energy: 0.48309618858453074
Energy: 0.5127577241413518
Energy: 0.3620263847095636
Energy: 0.4154335344028318
Energy: 0.3620263847095636
Energy: 0.5205766380253446
Energy: 0.3745601330414228
Energy: 0.36820625555742953
Energy: 0.3745601330424603
Energy: 0.5077596656594489
Energy: 0.3585592309998217
Energy: 0.3593058008702268
Energy: 0.358559230999303
Energy: 0.5607108455629337
Energy: 0.3611793829129725
Energy: 0.4531004892483667
Energy: 0.3611793829140099
Energy: 0.526955358520119
Energy: 0.48904249328368493
Energy: 0.49828597018318715
Energy: 0.4890424932831662
Energy: 0.4376654877710885
Energy: 0.47327744237473357
Energy: 0.42602623927034033
Energy: 0.47327744237525227
Energy: 0.3825299882985889
Energy: 0.4297643979494838
Energy: 0.5120079192337103
Energy: 0.4297643979494838
Energy: 0.4151012838770944
Energy: 0.3703073292384009
Energy: 0.5240514382227108
Energy: 0.3703073292389195
Energy: 0.3697105807312504
Energy: 0.3706181928744129
Energy: 0.5403576474173238
Energy: 0.3706181928744129
Energy: 0.36999634805013853
Energy: 0.37269688999243095
Energy: 0.5121820471736742
Energy: 0.37269688999243095
Energy: 0.3773153454367699
Energy: 0.4132914227451818
Energy: 0.468536720689154
Energy: 0.4132914227446632
Energy: 0.5167263704631364
Energy: 0.5151164111109339
Energy: 0.5169440124199453
Energy: 0.5151164111109339
Energy: 0.5163275134225737
Energy: 0.45387031478425566
Energy: 0.4268650916633675
Energy: 0.45387031478477435
Energy: 0.5123031455411492
Energy: 0.41574028622462644
Energy: 0.3705285538768024
Energy: 0.41574028622514514
Energy: 0.523126499498052
Energy: 0.3866428871167625
Energy: 0.41203535247221634
Energy: 0.3866428871167625

minimum gb energy = 0.3570783058603624 eV
minimum distance =  2.44526911305822 Angstroms
sigma value = 89


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

Energy: 0.6379804390456381
Energy: 0.4415663662253953
Energy: 0.49888831725911226
Energy: 0.4415663662253953
Energy: 0.5039506207781744
Energy: 0.4241592392079732
Energy: 0.4292488328231477
Energy: 0.4241592392079732
Energy: 0.3395958842784416
Energy: 0.42633460213079594
Energy: 0.42807142079245114
Energy: 0.42633460213079594
Energy: 0.3420113634366739
Energy: 0.4275003902762327
Energy: 0.5007862635793099
Energy: 0.4275003902762327
Energy: 0.4203039731858021
Energy: 0.38311270066068026
Energy: 0.45532067596473674
Energy: 0.38311270066068026
Energy: 0.34355778832989864
Energy: 0.38370224968946315
Energy: 0.42570818280691486
Energy: 0.3837022496840344
Energy: 0.34284693995056437
Energy: 0.38636863607835276
Energy: 0.5127492772843655
Energy: 0.38636863607970995
Energy: 0.5000187372062425
Energy: 0.38675394237600014
Energy: 0.5030847110004723
Energy: 0.38675394237735733
Energy: 0.4228874149175911
Energy: 0.42392340848312543
Energy: 0.5026003914912486
Energy: 0.42392340848312543
Energy: 0.43043962101556466
Energy: 0.4197513730401662
Energy: 0.4311285140413925
Energy: 0.4197513730401662
Energy: 0.4303922183772442
Energy: 0.4269118942794943
Energy: 0.3392455572521807
Energy: 0.4269118942794943
Energy: 0.42630319392817556
Energy: 0.4197586570501865
Energy: 0.4231706738738604
Energy: 0.4197586570501865
Energy: 0.4548835618873972
Energy: 0.383175614343795
Energy: 0.3421754045794104
Energy: 0.383175614343795
Energy: 0.5122023845078623
Energy: 0.3426083704897492
Energy: 0.34204894247379874
Energy: 0.3426083704897492
Energy: 0.5030170117982257
Energy: 0.38180323670639293
Energy: 0.3430622867754516
Energy: 0.38180323670639293

minimum gb energy = 0.3392455572521807 eV
minimum distance =  2.47975528726635 Angstroms
sigma value = 13


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

Energy: 0.5268655129109696
Energy: 0.5458818487692594
Energy: 0.5664092574853157
Energy: 0.5458818487686905
Energy: 0.5508761944477402
Energy: 0.4107463610199093
Energy: 0.40062923313766424
Energy: 0.4107463610193405
Energy: 0.4843949073997848
Energy: 0.4036165701404696
Energy: 0.3970913865503507
Energy: 0.4036165701381942
Energy: 0.4285490096867511
Energy: 0.40899965631340446
Energy: 0.4735707483766869
Energy: 0.4089996563139733
Energy: 0.4952400322601842
Energy: 0.4068978150350498
Energy: 0.46795901168137727
Energy: 0.4068978150350498
Energy: 0.39941240524161686
Energy: 0.40647641441244425
Energy: 0.4562535355271526
Energy: 0.4064764144141507
Energy: 0.3974503604876262
Energy: 0.3906104764408912
Energy: 0.5777290326742822
Energy: 0.39061047644146
Energy: 0.5356248026132758
Energy: 0.380841280782677
Energy: 0.5750675488843735
Energy: 0.3808412807838147
Energy: 0.3759884388822322
Energy: 0.382192943509114
Energy: 0.6005246377781553
Energy: 0.382192943509114
Energy: 0.357540377167939
Energy: 0.4130841574576304
Energy: 0.5672747745245542
Energy: 0.41308415745876803
Energy: 0.49257983875452244
Energy: 0.5397705719301357
Energy: 0.5350739798599539
Energy: 0.539770571928998
Energy: 0.45663595487679803
Energy: 0.42529468046552893
Energy: 0.5619411933449026
Energy: 0.4252946804638224
Energy: 0.468772902342708
Energy: 0.40604991111115996
Energy: 0.45912177752259936
Energy: 0.40604991111002225
Energy: 0.4585763776809398
Energy: 0.42798597538408506
Energy: 0.42766629277406737
Energy: 0.4279859753852227
Energy: 0.53773564538962
Energy: 0.4181100141049137
Energy: 0.4682800791028285
Energy: 0.418110014103776
Energy: 0.5357844816773343
Energy: 0.40703315255805056
Energy: 0.35930678388728227
Energy: 0.4070331525597571
Energy: 0.49762971126520456
Energy: 0.3863981482713243
Energy: 0.35787183712722453
Energy: 0.3863981482701866
Energy: 0.5240876251863572
Energy: 0.3800785917389373
Energy: 0.5391051779268343
Energy: 0.3800785917395062
Energy: 0.5824169524856301
Energy: 0.41588566586601095
Energy: 0.40966328191058354
Energy: 0.4158856658665798
Energy: 0.5364199661195431
Energy: 0.40440569892814
Energy: 0.3943113730477883
Energy: 0.40440569892814
Energy: 0.42894048177062
Energy: 0.4719583289908569
Energy: 0.4495078217530755
Energy: 0.4719583289891504
Energy: 0.5294828038296926
Energy: 0.42116965663140365
Energy: 0.4559015590306939
Energy: 0.42116965663083483
Energy: 0.4001084205012914
Energy: 0.4067139844234396
Energy: 0.4697879582468092
Energy: 0.4067139844223019
Energy: 0.36105419825261165
Energy: 0.42440422916055703
Energy: 0.5401292071948052
Energy: 0.42440422915941933
Energy: 0.3927153824887051
Energy: 0.39257054007930586
Energy: 0.5513694456256715
Energy: 0.39257054007816816
Energy: 0.3555850220850163
Energy: 0.38020186085044444
Energy: 0.535866391033579
Energy: 0.3802018608510133
Energy: 0.3550499854736525
Energy: 0.4127354450100247
Energy: 0.5683163844811655
Energy: 0.41273544500831816
Energy: 0.48155304278739014
Energy: 0.40556252649729285
Energy: 0.523865660636023
Energy: 0.4055625264978617
Energy: 0.4500789710153908
Energy: 0.4275836200205816
Energy: 0.5751323734506709
Energy: 0.4275836200205816
Energy: 0.3939722027879591
Energy: 0.40945036921486144
Energy: 0.45965100661421926
Energy: 0.4094503692142926
Energy: 0.46224238200478496
Energy: 0.4085800792387497
Energy: 0.4294551821513178
Energy: 0.4085800792370432
Energy: 0.5356435103694928
Energy: 0.42610276866601265
Energy: 0.4528199597195479
Energy: 0.4261027686688568
Energy: 0.5527288223138255
Energy: 0.4093840513112225
Energy: 0.35537719778951044
Energy: 0.4093840513123602
Energy: 0.5760008152428862
Energy: 0.42721177303525226
Energy: 0.3551783542377775
Energy: 0.4272117730341145
Energy: 0.5881767452361572
Energy: 0.380362923320301
Energy: 0.359418151490608
Energy: 0.380362923320301

minimum gb energy = 0.3550499854736525 eV
minimum distance =  2.46846021986509 Angstroms
sigma value = 37


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

Energy: 0.5165901200148657
Energy: 0.5183692943053103
Energy: 0.5538720063744437
Energy: 0.5183692943053103
Energy: 0.6112434265948378
Energy: 0.39772464430353677
Energy: 0.4068497472544616
Energy: 0.39772464430451543
Energy: 0.47994335313890435
Energy: 0.3998918043541918
Energy: 0.4103442224884619
Energy: 0.3998918043541918
Energy: 0.5159894180119327
Energy: 0.4688466311147451
Energy: 0.47569494729473377
Energy: 0.4688466311147451
Energy: 0.5116702530152673
Energy: 0.39725583603475273
Energy: 0.4265132280949735
Energy: 0.3972558360357314
Energy: 0.36759325291621947
Energy: 0.39463482253096893
Energy: 0.5063521677515154
Energy: 0.39463482253096893
Energy: 0.36490063273810064
Energy: 0.4206487770327593
Energy: 0.5538931896312472
Energy: 0.420648777033738
Energy: 0.3760381296289801
Energy: 0.35320768360610677
Energy: 0.576083141825547
Energy: 0.3532076836051281
Energy: 0.37361584079095206
Energy: 0.37261976501787253
Energy: 0.5632908185396657
Energy: 0.37261976501787253
Energy: 0.3588359503069251
Energy: 0.38958101557072816
Energy: 0.5939353742909319
Energy: 0.3895810155717068
Energy: 0.4764778212155275
Energy: 0.5256362235523021
Energy: 0.45506122922882597
Energy: 0.5256362235523021
Energy: 0.40884908527725045
Energy: 0.39297195149775865
Energy: 0.5821649024378087
Energy: 0.39297195149678
Energy: 0.4265975185475923
Energy: 0.39660528734418604
Energy: 0.4800148637531164
Energy: 0.3966052873451647
Energy: 0.40947172905349527
Energy: 0.38808461757081675
Energy: 0.5157015980683438
Energy: 0.3880846175717954
Energy: 0.4265132280949735
Energy: 0.4091024236592367
Energy: 0.5020261001289597
Energy: 0.40910242365825805
Energy: 0.5063521677515154
Energy: 0.39565276046853926
Energy: 0.36465193387587025
Energy: 0.39565276046756054
Energy: 0.5656963346537452
Energy: 0.4066783569294534
Energy: 0.36477189600074494
Energy: 0.4066783569294534
Energy: 0.576083141825547
Energy: 0.44060211035333374
Energy: 0.4251279941114168
Energy: 0.4406021103543124
Energy: 0.5632908185386871
Energy: 0.3837381960890422
Energy: 0.3476224693767469
Energy: 0.3837381960890422
Energy: 0.5823006264725094
Energy: 0.3926949602680851
Energy: 0.34822618556182333
Energy: 0.3926949602680851

minimum gb energy = 0.3476224693767469 eV
minimum distance =  2.46333272532096 Angstroms
sigma value = 25


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

Energy: 0.5910036885855773
Energy: 0.5161697054858506
Energy: 0.5319939530106994
Energy: 0.5161697054866148
Energy: 0.6313501029038362
Energy: 0.3745920318880287
Energy: 0.368936885992286
Energy: 0.3745920318872644
Energy: 0.5563893141047025
Energy: 0.37496420799690694
Energy: 0.3661939920262968
Energy: 0.37496420799690694
Energy: 0.44124534154280853
Energy: 0.48115944589095533
Energy: 0.5129334047089563
Energy: 0.48115944589171955
Energy: 0.5876035480020235
Energy: 0.37218643864779477
Energy: 0.4719372527721331
Energy: 0.37218643864855894
Energy: 0.43280738436853516
Energy: 0.37179889720038756
Energy: 0.47044043825825144
Energy: 0.37179889720038756
Energy: 0.44256470774077
Energy: 0.3793079005742946
Energy: 0.5816982577516621
Energy: 0.3793079005742946
Energy: 0.5092310369787292
Energy: 0.5043145662725148
Energy: 0.5237172544389388
Energy: 0.5043145662732791
Energy: 0.3797950224667396
Energy: 0.3717453217528179
Energy: 0.5982625063403817
Energy: 0.37174532175205366
Energy: 0.3794617130346485
Energy: 0.34574564494035714
Energy: 0.6024970198973274
Energy: 0.3457456449395929
Energy: 0.4927310634857549
Energy: 0.4678668224239753
Energy: 0.5257953537319413
Energy: 0.4678668224247395
Energy: 0.34061294296323963
Energy: 0.36998919456527635
Energy: 0.602153594827985
Energy: 0.3699891945660405
Energy: 0.33727124662302815
Energy: 0.3675410263638627
Energy: 0.6385206408761535
Energy: 0.3675410263638627
Energy: 0.4762944784488644
Energy: 0.5312884100353809
Energy: 0.5638486362870325
Energy: 0.5312884100353809
Energy: 0.37956579750473485
Energy: 0.37278603017812156
Energy: 0.6232329729313587
Energy: 0.3727860301788858
Energy: 0.38535923189037796
Energy: 0.3630155052937732
Energy: 0.5591422111148702
Energy: 0.3630155052945374
Energy: 0.5144697098789237
Energy: 0.3612133868302556
Energy: 0.5563626883601411
Energy: 0.3612133868294914
Energy: 0.38020116439337426
Energy: 0.41413733945277076
Energy: 0.5634984344479194
Energy: 0.41413733945277076
Energy: 0.482341691122353
Energy: 0.37018710802229193
Energy: 0.4397977256786249
Energy: 0.37018710802305616
Energy: 0.5841200178704705
Energy: 0.3787306870455256
Energy: 0.4324636273192949
Energy: 0.3787306870462898
Energy: 0.5251408159708825
Energy: 0.5009760023409514
Energy: 0.4867867719842253
Energy: 0.500976002339423
Energy: 0.5934650325679983
Energy: 0.3750465541813584
Energy: 0.3386947035226641
Energy: 0.3750465541821226
Energy: 0.6214905526217699
Energy: 0.35325099423763306
Energy: 0.3682373007354206
Energy: 0.35325099423839723
Energy: 0.5231586109638534
Energy: 0.5068265858910188
Energy: 0.4848422311443333
Energy: 0.5068265858910188
Energy: 0.6356210086658294
Energy: 0.3715785928475508
Energy: 0.3231891009264195
Energy: 0.37157859284678657
Energy: 0.5583644804422007
Energy: 0.350160219875853
Energy: 0.32504646727676817
Energy: 0.35016021987432455

minimum gb energy = 0.3231891009264195 eV
minimum distance =  2.48703097146906 Angstroms
sigma value = 41


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

Energy: 0.5905677630564313
Energy: 0.5053300930369935
Energy: 0.5141891973127348
Energy: 0.5053300930376201
Energy: 0.664414128858911
Energy: 0.33791845285907
Energy: 0.3348878236793352
Energy: 0.3379184528584436
Energy: 0.5719486844941488
Energy: 0.3470593013410781
Energy: 0.3366454771379597
Energy: 0.3470593013410781
Energy: 0.4891190072713868
Energy: 0.49555575773621524
Energy: 0.49472410626369606
Energy: 0.49555575773621524
Energy: 0.611091737041059
Energy: 0.3446109767358967
Energy: 0.4226940282364018
Energy: 0.3446109767365232
Energy: 0.47259013371962455
Energy: 0.3439257063758969
Energy: 0.42339126836314334
Energy: 0.3439257063752704
Energy: 0.4815746840932942
Energy: 0.3458234630431569
Energy: 0.5442458206096635
Energy: 0.3458234630437834
Energy: 0.5434271108516596
Energy: 0.4335921297149345
Energy: 0.42703785970126984
Energy: 0.43359212971430794
Energy: 0.3693544966028619
Energy: 0.3432739299000593
Energy: 0.5243591206055627
Energy: 0.3432739299000593
Energy: 0.37133135884017987
Energy: 0.3455313508334539
Energy: 0.6122318926830156
Energy: 0.3455313508334539
Energy: 0.4953745309246632
Energy: 0.4957236892518585
Energy: 0.5347605796476534
Energy: 0.4957236892518585
Energy: 0.33310876668022477
Energy: 0.34382043421886965
Energy: 0.6258880570267015
Energy: 0.34382043421886965
Energy: 0.3363008826854349
Energy: 0.3239180387070083
Energy: 0.6276436072561162
Energy: 0.32391803870763486
Energy: 0.47198471045872153
Energy: 0.4891214131011189
Energy: 0.5588209437605595
Energy: 0.4891214131011189
Energy: 0.2995074424604553
Energy: 0.33916074684107905
Energy: 0.5800198495987701
Energy: 0.3391607468423321
Energy: 0.29866853455439374
Energy: 0.314596101821698
Energy: 0.5745843551874327
Energy: 0.3145961018210715
Energy: 0.39236962235648465
Energy: 0.3240415952769201
Energy: 0.5713887354123286
Energy: 0.3240415952769201
Energy: 0.33167975432283475
Energy: 0.34195296837085726
Energy: 0.5795237962805929
Energy: 0.3419529683702308
Energy: 0.34001800203460086
Energy: 0.3432954205680428
Energy: 0.48135490531457586
Energy: 0.3432954205680428
Energy: 0.4271256948374349
Energy: 0.3438628736289781
Energy: 0.4722846513381113
Energy: 0.34386287362835155
Energy: 0.4295810399301911
Energy: 0.3888687157999096
Energy: 0.5741278564673814
Energy: 0.3888687157999096
Energy: 0.5472656405753615
Energy: 0.34367456195604257
Energy: 0.4894193472998089
Energy: 0.34367456195604257
Energy: 0.5241459468865595
Energy: 0.3450991678675696
Energy: 0.47373543647292293
Energy: 0.3450991678675696
Energy: 0.4268196133750368
Energy: 0.4062833287284837
Energy: 0.5432145384874522
Energy: 0.4062833287291102
Energy: 0.5731468969519484
Energy: 0.3900529710978985
Energy: 0.364941372857606
Energy: 0.39005297109727194
Energy: 0.5240238426835647
Energy: 0.3477063044717348
Energy: 0.4267929676064091
Energy: 0.3477063044717348
Energy: 0.5277348784295763
Energy: 0.3435249403968892
Energy: 0.33615454404731104
Energy: 0.3435249403981423
Energy: 0.6125084247727591
Energy: 0.3396233132953801
Energy: 0.33284246500360476
Energy: 0.339623313294127
Energy: 0.5258519261599369
Energy: 0.32417025353230194
Energy: 0.3354386745147005
Energy: 0.32417025353104884
Energy: 0.5244142569505795
Energy: 0.314217563800657
Energy: 0.29667712581829064
Energy: 0.314217563800657
Energy: 0.6265389427253725
Energy: 0.33054381984091746
Energy: 0.29896789618546965
Energy: 0.33054381984091746
Energy: 0.5841868380057457
Energy: 0.48852703075116893
Energy: 0.4790201446280384
Energy: 0.48852703075116893

minimum gb energy = 0.29667712581829064 eV
minimum distance =  2.54869927227121 Angstroms
sigma value = 15


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

Energy: 0.5554899103908599
Energy: 0.5063270668840786
Energy: 0.5025029391863436
Energy: 0.5063270668835479
Energy: 0.6831735031954862
Energy: 0.31483203638978924
Energy: 0.3135751917895011
Energy: 0.3148320363908507
Energy: 0.607268718848692
Energy: 0.3297170471790657
Energy: 0.31508425468388684
Energy: 0.3297170471790657
Energy: 0.5512946260816647
Energy: 0.4922415693475906
Energy: 0.4850399666982953
Energy: 0.4922415693470598
Energy: 0.606739612358985
Energy: 0.32641783693816845
Energy: 0.38551709434388487
Energy: 0.32641783693816845
Energy: 0.5211513722401009
Energy: 0.32833884660035806
Energy: 0.3909566849683356
Energy: 0.32833884659982726
Energy: 0.4396999136116755
Energy: 0.3305688937984565
Energy: 0.5221795752927325
Energy: 0.33056889379898724
Energy: 0.5681737003015394
Energy: 0.3964622932781713
Energy: 0.3882856129148278
Energy: 0.39646229327976357
Energy: 0.43082254738189196
Energy: 0.32527674417367786
Energy: 0.4793332879983865
Energy: 0.32527674417420865
Energy: 0.4308172040351236
Energy: 0.32968815145542374
Energy: 0.5908846727108831
Energy: 0.32968815145542374
Energy: 0.5220473941390088
Energy: 0.45651456044347194
Energy: 0.4989288419392463
Energy: 0.45651456044347194
Energy: 0.3376083710692369
Energy: 0.3286607776466398
Energy: 0.5669418313169533
Energy: 0.3286607776466398
Energy: 0.3929968298143444
Energy: 0.3278512050032034
Energy: 0.5644397501052975
Energy: 0.3278512050016111
Energy: 0.47725754545084725
Energy: 0.48735327019806485
Energy: 0.49509538282637827
Energy: 0.48735327019859553
Energy: 0.3096120115038455
Energy: 0.3196686479443211
Energy: 0.6515972629292486
Energy: 0.3196686479443211
Energy: 0.31813808463721654
Energy: 0.31019073896759214
Energy: 0.5660238632179088
Energy: 0.3101907389686536
Energy: 0.2793949375409176
Energy: 0.29960042941740217
Energy: 0.5720534486121794
Energy: 0.29960042941740217
Energy: 0.2810286960374736
Energy: 0.3095526683134865
Energy: 0.6122878799881056
Energy: 0.3095526683134865
Energy: 0.2810894109002628
Energy: 0.3087397705953545
Energy: 0.5362171630344382
Energy: 0.30873977059323143
Energy: 0.3193526619175252
Energy: 0.3086305153914665
Energy: 0.6127666075031023
Energy: 0.308630515392528
Energy: 0.3092401138662957
Energy: 0.32927445775553194
Energy: 0.6115338697932952
Energy: 0.3292744577560626
Energy: 0.48881991934609126
Energy: 0.4865034968661701
Energy: 0.5499486756419143
Energy: 0.4865034968656394
Energy: 0.3940889735613645
Energy: 0.32788877146556034
Energy: 0.5207048970878988
Energy: 0.327888771466091
Energy: 0.3883699192884572
Energy: 0.3274176663559944
Energy: 0.6044081047959167
Energy: 0.3274176663565252
Energy: 0.5210474776849453
Energy: 0.4569044104316086
Energy: 0.4402862404335539
Energy: 0.4569044104316086
Energy: 0.476827346451804
Energy: 0.32921786054728436
Energy: 0.5634470558077526
Energy: 0.32921786054728436
Energy: 0.3898103959244699
Energy: 0.325943528717788
Energy: 0.48111194069577645
Energy: 0.3259435287188495
Energy: 0.5667825330939131
Energy: 0.3973959327853276
Energy: 0.44040223321226246
Energy: 0.3973959327853276
Energy: 0.4774310447042295
Energy: 0.32934091555725814
Energy: 0.5293015480753196
Energy: 0.32934091555778894
Energy: 0.476298852938898
Energy: 0.3300606994217379
Energy: 0.39309763917469914
Energy: 0.33006069942067634
Energy: 0.6301000212224598
Energy: 0.3384307041000758
Energy: 0.3375169514326608
Energy: 0.3384307041000758
Energy: 0.4959980667950217
Energy: 0.4941125433872064
Energy: 0.48554757514990493
Energy: 0.49411254338667565
Energy: 0.5645661430302151
Energy: 0.32121881413727865
Energy: 0.31841986440177505
Energy: 0.32121881413674785
Energy: 0.6377526775745865
Energy: 0.315505745252517
Energy: 0.31860994108795626
Energy: 0.3155057452530477
Energy: 0.5882896864802892
Energy: 0.4863319039321315
Energy: 0.4699054827020744
Energy: 0.4863319039321315
Energy: 0.6390400189280371
Energy: 0.31092387351988127
Energy: 0.28321223577991994
Energy: 0.31092387352041206
Energy: 0.6065458317300045
Energy: 0.3103595508804644
Energy: 0.2841130620869554
Energy: 0.3103595508799336

minimum gb energy = 0.2793949375409176 eV
minimum distance =  2.42664799711012 Angstroms
sigma value = 85


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

Energy: 0.5655327500432823
Energy: 0.47556000667437337
Energy: 0.47200125472125104
Energy: 0.475560006673913
Energy: 0.6200335976437336
Energy: 0.2770568492289073
Energy: 0.28143362449498066
Energy: 0.277056849228447
Energy: 0.5443700667504048
Energy: 0.2907365433904889
Energy: 0.2793072961438668
Energy: 0.2907365433909493
Energy: 0.4846981365411405
Energy: 0.47299889912955595
Energy: 0.451414906315828
Energy: 0.47299889912955595
Energy: 0.6147317484359865
Energy: 0.29533079211369784
Energy: 0.3485481147349061
Energy: 0.29533079211369784
Energy: 0.4647138851712932
Energy: 0.2991153138236277
Energy: 0.34886109913782315
Energy: 0.2991153138236277
Energy: 0.4750223800402941
Energy: 0.29900559074754035
Energy: 0.49650343213713816
Energy: 0.29900559074754035
Energy: 0.5785706416929038
Energy: 0.3568041687033503
Energy: 0.3468620440510256
Energy: 0.3568041687033503
Energy: 0.4654344221162234
Energy: 0.2987500792350414
Energy: 0.42624884461508694
Energy: 0.298750079234581
Energy: 0.4649653138441717
Energy: 0.2970993223455797
Energy: 0.5083867887344483
Energy: 0.29709932234604003
Energy: 0.5305161824506146
Energy: 0.4080626980073714
Energy: 0.4373132310801537
Energy: 0.40806269800783174
Energy: 0.3906918944440586
Energy: 0.2989842852110853
Energy: 0.5529331720294522
Energy: 0.2989842852110853
Energy: 0.4272957898643228
Energy: 0.29938017800269223
Energy: 0.5060517636338303
Energy: 0.29938017800269223
Energy: 0.4953897769400736
Energy: 0.4234574638677447
Energy: 0.43708611252878155
Energy: 0.4234574638672843
Energy: 0.3033811076377911
Energy: 0.329461619747472
Energy: 0.6153976796616416
Energy: 0.3294616197470117
Energy: 0.34983936918901326
Energy: 0.2982580956937346
Energy: 0.504951349447727
Energy: 0.2982580956941949
Energy: 0.28150057013123064
Energy: 0.2990665373258881
Energy: 0.5160830185098935
Energy: 0.2990665373258881
Energy: 0.27883868612270385
Energy: 0.2774045318256945
Energy: 0.6248306352829462
Energy: 0.2774045318256945
Energy: 0.2779507087808585
Energy: 0.2797790970850062
Energy: 0.5817286142854008
Energy: 0.2797790970868475
Energy: 0.25181599423511675
Energy: 0.280914571784074
Energy: 0.5817330467352184
Energy: 0.2809145717845342
Energy: 0.25510797124271944
Energy: 0.2767652619705527
Energy: 0.6592000189116626
Energy: 0.27676526197101303
Energy: 0.4454457867519103
Energy: 0.38664452856465453
Energy: 0.5435166113387985
Energy: 0.38664452856465453
Energy: 0.28138584812068046
Energy: 0.2782765556079183
Energy: 0.6184684813291241
Energy: 0.27827655560837866
Energy: 0.28131226535839365
Energy: 0.2991836076857682
Energy: 0.6460517454137129
Energy: 0.2991836076857682
Energy: 0.4563322350658063
Energy: 0.4738856477928667
Energy: 0.48239895430962754
Energy: 0.4738856477928667
Energy: 0.35044166384331554
Energy: 0.29969114857401496
Energy: 0.6140852162734671
Energy: 0.29969114857355456
Energy: 0.34991780954781915
Energy: 0.3002070689843893
Energy: 0.5456957747217589
Energy: 0.3002070689843893
Energy: 0.494507166633124
Energy: 0.4404268360806417
Energy: 0.4832551729265616
Energy: 0.4404268360801813
Energy: 0.42623406383064555
Energy: 0.2988436250157459
Energy: 0.5801355247344401
Energy: 0.29884362501482525
Energy: 0.4268680349633434
Energy: 0.29806922729590174
Energy: 0.46621915627553084
Energy: 0.29806922729590174
Energy: 0.5316834678966608
Energy: 0.4057126697695683
Energy: 0.39009064779298935
Energy: 0.4057126697695683
Energy: 0.43742258452728455
Energy: 0.408994341520834
Energy: 0.5301410985913603
Energy: 0.408994341520834
Energy: 0.506495259785278
Energy: 0.29954882907612723
Energy: 0.3869380189177625
Energy: 0.29954882907612723
Energy: 0.5791146343838968
Energy: 0.29885580184225014
Energy: 0.3854972817508034
Energy: 0.2988558018417898
Energy: 0.4383481881178842
Energy: 0.44071779141950135
Energy: 0.48956912771844435
Energy: 0.44071779141950135
Energy: 0.5836205852155993
Energy: 0.30007598548954456
Energy: 0.3455476010169437
Energy: 0.30007598548954456
Energy: 0.5826572590425856
Energy: 0.2960975860185792
Energy: 0.3495343144546226
Energy: 0.2960975860185792
Energy: 0.5055004547143879
Energy: 0.473585882504803
Energy: 0.45773287079125224
Energy: 0.4735858825039032
Energy: 0.6465867975191265
Energy: 0.2908302143546332
Energy: 0.27906965064415395
Energy: 0.29083021435417283
Energy: 0.5823068551018143
Energy: 0.2793352772314066
Energy: 0.28172247591115385
Energy: 0.2793352772314066
Energy: 0.5314618423171203
Energy: 0.27559393640712926
Energy: 0.4423259683069008
Energy: 0.27559393640758956
Energy: 0.6246780185923939
Energy: 0.2876173111851572
Energy: 0.25527091679125774
Energy: 0.2876173111846969
Energy: 0.543620882167154
Energy: 0.279741636006051
Energy: 0.2523801149641965
Energy: 0.27974163600651136

minimum gb energy = 0.25181599423511675 eV
minimum distance =  2.50604133696714 Angstroms
sigma value = 113


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

Energy: 0.011689268348432015
Energy: 0.01223078827569414
Energy: 0.45811981627071796
Energy: 0.012230788276382232
Energy: 0.012251396164128911
Energy: 0.059899885142174245
Energy: 0.3438075989925431
Energy: 0.059899885142174245
Energy: 0.012093948566949403
Energy: 0.05886903630882741
Energy: 0.3423433957756831
Energy: 0.05886903630882741
Energy: 0.013341988444488704
Energy: 0.058575890767144284
Energy: 0.4591894944543331
Energy: 0.05857589076783238
Energy: 0.912165906792776
Energy: 0.17607519778765307
Energy: 0.3424283731558813
Energy: 0.17607519778765307
Energy: 0.012002220159391851
Energy: 0.05855778824922864
Energy: 0.3420296765462326
Energy: 0.05855778824887476

minimum gb energy = 0.011689268348432015 eV
minimum distance =  2.82394481288567 Angstroms
sigma value = 1