Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371600866318
cohesive_energy=5.770453839330309
mass=63.546
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=[3.11370211404828e-19, 4.1219358480581393e-19, 4.877778696913979e-19, 5.491364282436959e-19, 6.0086750740228795e-19, 6.454272439470959e-19, 6.84310468677642e-19, 7.185185419901759e-19, 7.48759625956926e-19, 7.755592345138439e-19, 7.993211161726979e-19, 8.20365706260288e-19, 8.389509552146879e-19, 8.5528995252822e-19, 8.69562141983892e-19, 8.819165260086658e-19, 8.9248448308653e-19, 9.01381369935132e-19, 9.08703317152512e-19, 9.145384444535399e-19, 9.18965258493282e-19, 9.22052652867e-19, 9.2386311246342e-19, 9.24455917818e-19, 9.23816649341034e-19, 9.21738626246736e-19, 9.17955887213862e-19, 9.121447925623439e-19, 9.0391601337012e-19, 8.9280491841333e-19, 8.7824113281027e-19, 8.595325162550519e-19, 8.358283129550219e-19, 8.060774950382759e-19, 7.68971084194836e-19, 7.228716559047539e-19, 6.657108001335359e-19, 5.94843323258448e-19, 5.06871008638776e-19, 3.97360633528242e-19, 2.60475468449184e-19, 8.840153773992059e-20, -1.2944786114403e-19, -4.07710694583882e-19, -7.66979578638774e-19, -1.236923620217118e-18, -1.86137676984852e-18, -2.7071017278717598e-18, -3.8795265233339396e-18, -5.552391190426019e-18, -8.027609894058959e-18, -1.1865816282002038e-17, -1.82013674328936e-17, -2.9612389855568397e-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: 0.01895324554398013
Energy: 0.0195612890004005
Energy: 0.9670893039082628
Energy: 0.14419124452589582
Energy: 0.0195612890004005
Energy: 0.9856667866026828
Energy: 0.14419124452743884
Energy: 0.9856667866031873
Energy: 0.9670893039051174
Energy: 0.14419124452743884
Energy: 0.01895324554398013
Energy: 0.01956128900093463
Energy: 0.14419124452743884
Energy: 0.9856667866016146
Energy: 0.01956128900093463
Energy: 0.985666786600576

minimum gb energy = 0.01895324554398013 eV
minimum distance =  2.69462362978327 Angstroms
sigma value = 1


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

Energy: 1.7734918494637353
Energy: 1.219447388168263
Energy: 1.3251561281605142
Energy: 1.3268584936787868
Energy: 1.4032451426981287
Energy: 1.969740718581099
Energy: 1.3700363065638246
Energy: 1.9697407185817468
Energy: 1.2966318430451678
Energy: 1.3278098610140212
Energy: 1.92802479267429
Energy: 1.3278098610133735
Energy: 1.2939486249433148
Energy: 1.9168373410908703
Energy: 1.4273094729249907
Energy: 1.916837341092166
Energy: 1.6489802653391974
Energy: 1.3426131413630538
Energy: 1.17774800131705
Energy: 1.3426131413630538
Energy: 1.3662227413710202
Energy: 1.8004632973927515
Energy: 1.2450080562432708
Energy: 1.8004632973933992
Energy: 1.3206310164152553
Energy: 1.3912506528923816
Energy: 1.6487660135515183
Energy: 1.3912506528923816
Energy: 1.2558095141811791
Energy: 1.786670564125392
Energy: 1.3748832757187606
Energy: 1.7866705641266876
Energy: 1.4208206701520452
Energy: 1.4721197233266523
Energy: 1.4894177969866758
Energy: 1.472119723327948
Energy: 1.25984655836338
Energy: 1.7385207909102542
Energy: 1.374416605798547
Energy: 1.7385207909115499
Energy: 1.5241499117881447
Energy: 1.5063460082658702
Energy: 1.4214799377277099
Energy: 1.5063460082678135
Energy: 1.3225409382400672
Energy: 1.7630026537702514
Energy: 1.486964215569715
Energy: 1.7630026537696037
Energy: 1.2506826024635134
Energy: 1.4882909073025201
Energy: 1.778371447582339
Energy: 1.4882909073038155
Energy: 1.4725291468446715
Energy: 1.7684156019933994
Energy: 1.25357410456598
Energy: 1.7684156019940473
Energy: 1.7769690879788376
Energy: 1.3442100235674799
Energy: 1.198315746426883
Energy: 1.344210023566832
Energy: 1.251403301437891
Energy: 1.5704242924797214
Energy: 1.4272218676782151
Energy: 1.570424324047602
Energy: 1.3835533946932468
Energy: 1.3150665988562682
Energy: 2.0807545301274843
Energy: 1.315066598856916
Energy: 1.370136959404926
Energy: 1.896388312274188
Energy: 1.40352720536155
Energy: 1.89638831227354
Energy: 1.9298921574085295
Energy: 1.3045480904879647
Energy: 1.2980896294373452
Energy: 1.3045480904886124
Energy: 1.52002892418468
Energy: 1.9199334085781599
Energy: 1.3821787636727723
Energy: 1.9199334085781599
Energy: 1.2512488736955067
Energy: 1.3210429942343067
Energy: 1.6506141352217285
Energy: 1.3210429942343067
Energy: 1.2364596775518517
Energy: 1.901459370140614
Energy: 1.3666306174448462
Energy: 1.901459370139966
Energy: 1.6489335563227796
Energy: 1.3927878808351661
Energy: 1.3833608811504015
Energy: 1.3927878808345182
Energy: 1.3684888194218232
Energy: 1.7650483658822813
Energy: 1.3146711479267863
Energy: 1.7650483658822813
Energy: 1.492526038344443
Energy: 1.5043668388794182
Energy: 1.42117057966706
Energy: 1.5043668388794182
Energy: 1.3848553651484097
Energy: 1.739323654701542
Energy: 1.262103785808738
Energy: 1.739323654701542
Energy: 1.4223884136463756
Energy: 1.5115427353790654
Energy: 1.5297325812630607
Energy: 1.5115427353784174
Energy: 1.2647913781189992
Energy: 1.7629053723087362
Energy: 1.403832368037106
Energy: 1.7629053723087362
Energy: 1.7829405513514678
Energy: 1.4945657104790866
Energy: 1.2486594649398663
Energy: 1.494565710478439
Energy: 1.2535066861579012
Energy: 1.5556900137718979
Energy: 1.4790163382211643
Energy: 1.5556900137712502
Energy: 1.19787529923455
Energy: 1.3427898653599206
Energy: 1.781066238622783
Energy: 1.342789865359273
Energy: 1.4284868356884657
Energy: 1.5496197808499328
Energy: 1.2660817863695315
Energy: 1.5496197808499328
Energy: 2.0848943565656213
Energy: 1.2574490311837643
Energy: 1.3846286802125858
Energy: 1.2574490311857072

minimum gb energy = 1.17774800131705 eV
minimum distance =  2.47427708464732 Angstroms
sigma value = 1


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

Energy: 2.0096065449832214
Energy: 1.281751177118992
Energy: 1.3984096712072756
Energy: 1.4067567542802184
Energy: 1.4925018350790253
Energy: 1.905823048867691
Energy: 1.4530157487051683
Energy: 1.905823048867691
Energy: 1.3681959706543139
Energy: 1.3799339621363114
Energy: 1.8456011384852973
Energy: 1.3799339621355728
Energy: 1.3670877323812707
Energy: 1.8318921489352729
Energy: 1.4022408573132763
Energy: 1.8318921489337956
Energy: 1.8452930512053836
Energy: 1.4191976389630063
Energy: 1.233037148289602
Energy: 1.4191976389630063
Energy: 1.4503494106541355
Energy: 1.8205596765648167
Energy: 1.3136038928492633
Energy: 1.8205596765662937
Energy: 1.4108536546427606
Energy: 1.4741014540326238
Energy: 1.5500695810269967
Energy: 1.4741014540326238
Energy: 1.320831932640948
Energy: 1.8015660106141091
Energy: 1.4576001790650852
Energy: 1.801566010616325
Energy: 1.5512713942287395
Energy: 1.5651489966575705
Energy: 1.422722530155566
Energy: 1.565148996658309
Energy: 1.3336630756526673
Energy: 1.7984251875279238
Energy: 1.3963489289937385
Energy: 1.7984251875264465
Energy: 1.6829740941770839
Energy: 1.5508605890747902
Energy: 1.332429542368466
Energy: 1.550860589077006
Energy: 1.4124162568993412
Energy: 1.8785486772212148
Energy: 1.5749428061793806
Energy: 1.8785486772219533
Energy: 1.2343600424626067
Energy: 1.3969090471673788
Energy: 1.680878962879268
Energy: 1.3969090471644916
Energy: 1.523850058933367
Energy: 1.5935897660654093
Energy: 1.3187588910435868
Energy: 1.5935897660661476
Energy: 2.0117691781852924
Energy: 1.3918904527227562
Energy: 1.471272110297767
Energy: 1.3918904527249722
Energy: 1.4914675208138497
Energy: 1.9557655945786712
Energy: 1.4533117989855453
Energy: 1.9557655945794095
Energy: 1.3714421193082806
Energy: 1.3674635228083045
Energy: 1.8474528133895398
Energy: 1.3674635228060887
Energy: 1.3913251965408733
Energy: 1.9473079947457803
Energy: 1.3798759865857773
Energy: 1.947307994746519
Energy: 1.8462029097947346
Energy: 1.3937979206524242
Energy: 1.3126755441375968
Energy: 1.3937979206494702
Energy: 1.4504731694809538
Energy: 1.9307145572063897
Energy: 1.3077947466889426
Energy: 1.9307145572063897
Energy: 1.4125502241972336
Energy: 1.480216276279935
Energy: 1.550533451044748
Energy: 1.480216276281412
Energy: 1.4013626183527779
Energy: 1.8037313270652768
Energy: 1.4552892661700416
Energy: 1.8037313270689694
Energy: 1.550489706360817
Energy: 1.6024025610684385
Energy: 1.5513351328440534
Energy: 1.6024025610676997
Energy: 1.333140969392391
Energy: 1.797463552037834
Energy: 1.398277008090331
Energy: 1.7974635520422655
Energy: 1.6892458138114301
Energy: 1.6016045723582601
Energy: 1.331640682744976
Energy: 1.6016045723597372
Energy: 1.3248012264371485
Energy: 1.6076435042559971
Energy: 1.3722708181651402
Energy: 1.6076435042537813
Energy: 1.2606068737741405
Energy: 1.3931082930517902
Energy: 1.8147221574657506
Energy: 1.3931082930525287
Energy: 1.523546485027092
Energy: 1.5936375367238436
Energy: 1.3326419297196206
Energy: 1.5936375367275366
Energy: 2.017587847592986
Energy: 1.3286965367663497
Energy: 1.4722731475664537
Energy: 1.3286965367656114

minimum gb energy = 1.233037148289602 eV
minimum distance =  2.48108352245908 Angstroms
sigma value = 25


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

Energy: 1.90798860462154
Energy: 1.2885274188257327
Energy: 1.4787472259229741
Energy: 1.444430455214528
Energy: 1.5944602434576605
Energy: 2.0052527778609934
Energy: 1.5353430637042722
Energy: 2.0052527778712963
Energy: 1.4431661559233633
Energy: 1.4449634031410068
Energy: 1.7315797072093413
Energy: 1.4449634031418654
Energy: 1.4230799886703125
Energy: 1.8419181702622782
Energy: 1.5258181906829074
Energy: 1.8419181702631369
Energy: 1.7335347816381004
Energy: 1.4724916934922172
Energy: 1.2973067647244094
Energy: 1.4724916934922172
Energy: 1.5504162473679115
Energy: 1.9257158366082872
Energy: 1.372444825739698
Energy: 1.925715836609146
Energy: 1.4367399322526084
Energy: 1.5681817101639177
Energy: 1.4364470282296424
Energy: 1.5681817101639177
Energy: 1.4393982936430958
Energy: 1.848057626386431
Energy: 1.4114520143186273
Energy: 1.8480576263872897
Energy: 1.4362395226025861
Energy: 1.7015620100164206
Energy: 1.5597875731860014
Energy: 1.701562010017279
Energy: 1.4555224242690254
Energy: 1.9027861245749083
Energy: 1.4998612100145543
Energy: 1.9027861245749083
Energy: 1.9135213865426737
Energy: 1.473249226436613
Energy: 1.2957545933556935
Energy: 1.473249226436613
Energy: 1.3732576837612835
Energy: 1.6352040624420652
Energy: 1.5261102733995517
Energy: 1.6352040624420652
Energy: 1.4428488937827089
Energy: 1.51948820645009
Energy: 1.911682663562692
Energy: 1.51948820645009
Energy: 1.5810100417600679
Energy: 1.9842658717329735
Energy: 1.5948585315996893
Energy: 1.9842658717346906
Energy: 1.7322929249542296
Energy: 1.447952337752049
Energy: 1.4484534357800898
Energy: 1.44795233775119
Energy: 1.4623055113689607
Energy: 1.8432610778170044
Energy: 1.4762630901548015
Energy: 1.8432610778170044
Energy: 1.2981536007510843
Energy: 1.4733155199032855
Energy: 1.734187205541135
Energy: 1.4733155199015686
Energy: 1.388338983639646
Energy: 1.903492186615571
Energy: 1.4541204745069636
Energy: 1.9034921866164294
Energy: 1.4351776566953325
Energy: 1.584349623756544
Energy: 1.531860255627499
Energy: 1.584349623756544
Energy: 1.4129723955980795
Energy: 1.8489814100367634
Energy: 1.5627268111062964
Energy: 1.8489814100367634
Energy: 1.5556422577837057
Energy: 1.6706956313071963
Energy: 1.4369669448090578
Energy: 1.670695631308055
Energy: 1.7151273259001552
Energy: 1.6682767886616903
Energy: 1.4539971903292719
Energy: 1.6682767886608318
Energy: 1.2969286073733048
Energy: 1.5510897805414388
Energy: 1.9155706216949042
Energy: 1.5510897805431558
Energy: 1.5407921245400942
Energy: 1.3739867714745528
Energy: 1.4083825424555476
Energy: 1.3739867714745528
Energy: 1.9089265928818742
Energy: 1.4159467627913038
Energy: 1.5692859599778364
Energy: 1.4159467627921625

minimum gb energy = 1.2885274188257327 eV
minimum distance =  2.48809447666371 Angstroms
sigma value = 9


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

Energy: 1.7559602883115595
Energy: 1.3380280537508893
Energy: 1.5652184298258371
Energy: 1.564165845029729
Energy: 1.6597689392525081
Energy: 2.1134097749909433
Energy: 1.6404395435846217
Energy: 2.113409774992992
Energy: 1.5253497117517254
Energy: 1.524664670113339
Energy: 2.061767845356149
Energy: 1.524664670113339
Energy: 1.50330973145072
Energy: 2.140707707844359
Energy: 1.640486677664481
Energy: 2.140707707843335
Energy: 1.5810029789790196
Energy: 1.5595364370400575
Energy: 1.365720492460425
Energy: 1.5595364370410818
Energy: 1.5518764924095583
Energy: 1.966585031143782
Energy: 1.4862889455470802
Energy: 1.966585031142758
Energy: 1.4042451157958669
Energy: 1.6811345754332314
Energy: 1.5837502492987852
Energy: 1.6811345754322071
Energy: 1.5547334870371607
Energy: 1.934694823151318
Energy: 1.5491751866936563
Energy: 1.9346948231502938
Energy: 1.3646652396703132
Energy: 1.587326110452758
Energy: 1.7602967335926452
Energy: 1.5873261104517338
Energy: 1.4712685189765207
Energy: 1.6730230784675892
Energy: 1.4951905338541966
Energy: 1.6730230784686133
Energy: 1.7600699229117291
Energy: 1.6168724834265369
Energy: 1.5639895798543406
Energy: 1.6168724834265369
Energy: 1.593482688088681
Energy: 2.1269587422965515
Energy: 1.6967178610990732
Energy: 2.1269587422985996
Energy: 1.5322104759992174
Energy: 1.5247538743844689
Energy: 2.062077460296138
Energy: 1.5247538743834448
Energy: 1.5722251953180886
Energy: 2.141313120237625
Energy: 1.5484209995829108
Energy: 2.141313120238649
Energy: 1.5807255330946535
Energy: 1.5606502114286875
Energy: 1.5363735747406966
Energy: 1.5606502114297123
Energy: 1.552517603928391
Energy: 1.960636720032948
Energy: 1.408083638531122
Energy: 1.9606367200339725
Energy: 1.6047099060940857
Energy: 1.703329535453573
Energy: 1.5834043304568486
Energy: 1.703329535453573
Energy: 1.601668980012133
Energy: 1.7457662380567096
Energy: 1.5490138978798578
Energy: 1.7457662380567096
Energy: 1.3635421158877767
Energy: 1.5874730616595616
Energy: 1.762163763557756
Energy: 1.5874730616616102
Energy: 1.4714752449342599
Energy: 1.4521859190312993
Energy: 1.983508898427791
Energy: 1.4521859190292505
Energy: 1.8550708789173844
Energy: 1.5249739205756205
Energy: 1.5243436432980568
Energy: 1.524973920578693

minimum gb energy = 1.3380280537508893 eV
minimum distance =  2.53224781030677 Angstroms
sigma value = 25


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

Energy: 1.53932660555061
Energy: 1.3711410446310188
Energy: 1.649371704594508
Energy: 1.6479576458284184
Energy: 1.779014088047954
Energy: 2.0958151769043893
Energy: 1.7643229762813573
Energy: 2.0958151769043893
Energy: 1.648098653963771
Energy: 1.64835856976151
Energy: 1.8803129219580186
Energy: 1.64835856976151
Energy: 1.6094708196424046
Energy: 2.1319014564105796
Energy: 1.7622731320650609
Energy: 2.1319014564118466
Energy: 1.4465916857621304
Energy: 1.635813766401968
Energy: 1.4510434183980219
Energy: 1.6358137664007013
Energy: 1.6950231536923712
Energy: 2.052190145486963
Energy: 1.6788297857020742
Energy: 2.052190145486963
Energy: 1.5424542374162884
Energy: 1.5778355875838337
Energy: 1.4486042477806584
Energy: 1.5778355875825674
Energy: 1.5427943483461748
Energy: 2.087355171295484
Energy: 1.5449484712112607
Energy: 2.087355171295484
Energy: 1.6468132724694542
Energy: 1.647403266067188
Energy: 2.2236143766217324
Energy: 1.647403266067188
Energy: 1.8370101165645547
Energy: 1.9342173383494348
Energy: 1.689472633767258
Energy: 1.9342173384355104
Energy: 1.8800068874545164
Energy: 2.0063557139640102
Energy: 1.616994970546077
Energy: 2.0063557139640102
Energy: 1.8018730166317272
Energy: 2.1689485345015505
Energy: 1.6093737989216903
Energy: 2.168948534502817
Energy: 1.5501410853110016
Energy: 1.634907008689025
Energy: 1.5118057928073116
Energy: 1.6349070086902917
Energy: 1.517819364264655
Energy: 1.886561333171943
Energy: 1.6956365332854648
Energy: 1.8865613331706763
Energy: 1.446804117496761
Energy: 1.5777966341139011
Energy: 1.5429200911397567
Energy: 1.5777966341151677
Energy: 1.5498850375804514
Energy: 2.032396447470861
Energy: 1.5427480430455125
Energy: 2.0323964474721277
Energy: 2.442671602679831
Energy: 1.522350966964473
Energy: 1.649097454952337
Energy: 1.5223509669543398

minimum gb energy = 1.3711410446310188 eV
minimum distance =  2.48003872912544 Angstroms
sigma value = 17


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

Energy: 2.1267787549902546
Energy: 1.66508500489274
Energy: 1.8913681569579865
Energy: 1.8608359493299504
Energy: 1.9100452062475202
Energy: 2.148344136698395
Energy: 1.9142532152029723
Energy: 2.148344136698395
Energy: 1.5189298618550613
Energy: 1.519512284585149
Energy: 1.9352829210048303
Energy: 1.519512284585149
Energy: 1.6093014240904537
Energy: 2.0487410406015876
Energy: 1.8399001230238168
Energy: 2.048741040602305
Energy: 1.6149761969211687
Energy: 1.8304550180730166
Energy: 1.5454780924053144
Energy: 1.8304550180730166
Energy: 1.8154751917634937
Energy: 2.1250270538167677
Energy: 1.8987749553666085
Energy: 2.1250270538167677
Energy: 1.7454674061877666
Energy: 1.7213169959339187
Energy: 1.6805824811314205
Energy: 1.7213169959360708
Energy: 1.9183086924589932
Energy: 2.1951695069640977
Energy: 1.7589652191913394
Energy: 2.1951695069640977
Energy: 1.9407373597483413
Energy: 1.8646556881993066
Energy: 2.003004466749134
Energy: 1.8646556881985894
Energy: 1.8152613138102391
Energy: 2.026231268395094
Energy: 1.8856069346381659
Energy: 2.026231268394377
Energy: 1.6125214786430047
Energy: 1.9461173681875281
Energy: 1.6677741320121524
Energy: 1.9461173681875281
Energy: 1.8203305619438719
Energy: 1.6340999389002864
Energy: 1.4719512444008729
Energy: 1.6340999388916777
Energy: 1.9756781256656686
Energy: 1.6311155482492756
Energy: 1.4327688878402263
Energy: 1.6311155482464061
Energy: 1.7407930172663173
Energy: 2.0977433520144606
Energy: 1.7380956473729274
Energy: 2.0977433520144606
Energy: 1.8292257397603016
Energy: 2.1106925991779772
Energy: 2.128827215117007
Energy: 2.1106925991772596
Energy: 1.972544229585771
Energy: 2.272331737949257
Energy: 2.1286235711883865
Energy: 2.272331737949257
Energy: 1.9353438048405918
Energy: 2.251950881053117
Energy: 1.798573884846405
Energy: 2.251950881050247
Energy: 1.9360693802357454
Energy: 1.673661284964007
Energy: 1.5173316080802415
Energy: 1.673661284961855
Energy: 1.8154735809797184
Energy: 2.081914500596835
Energy: 1.613084054999433
Energy: 2.081914500596118
Energy: 1.4807928255476266
Energy: 1.8575555417854774
Energy: 1.8471392221213074
Energy: 1.8575555417861949
Energy: 1.556446988148906
Energy: 2.1247890676879417
Energy: 1.8341840377022454
Energy: 2.1247890676879417
Energy: 1.6790687002772524
Energy: 1.5499239265173872
Energy: 1.7387274745668575
Energy: 1.5499239265173872
Energy: 1.8692811988463545
Energy: 2.14928284385198
Energy: 1.9238829111497278
Energy: 2.14928284385198
Energy: 1.936516214205636
Energy: 1.86698131771725
Energy: 1.8569089458650907
Energy: 1.86698131771725
Energy: 1.7494230418387078
Energy: 2.102553352958255
Energy: 1.7062868671128704
Energy: 2.1025533529575373
Energy: 1.5652371441635369
Energy: 1.6315143466590385
Energy: 1.6173553914069754
Energy: 1.631514346659756
Energy: 1.7414395015545587
Energy: 2.1961218365190343
Energy: 1.8040707056418461
Energy: 2.1961218365190343
Energy: 1.4312216895235652
Energy: 1.612850580914637
Energy: 1.7436650223419308
Energy: 1.612850580914637
Energy: 1.9634569063809202
Energy: 2.1034838443308215
Energy: 2.0361070215560275
Energy: 2.103483844330104
Energy: 2.1282430239803003
Energy: 1.8849952280628193
Energy: 1.8908061836890488
Energy: 1.8849952280621018

minimum gb energy = 1.4312216895235652 eV
minimum distance =  2.49116770979983 Angstroms
sigma value = 53


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

Energy: 1.9000840447098788
Energy: 1.3320321583331123
Energy: 1.726036769687648
Energy: 1.7353416587259711
Energy: 1.9213826707699895
Energy: 2.20437953542905
Energy: 1.5992240295649907
Energy: 2.20437953542905
Energy: 1.690863003176743
Energy: 1.7349797788899701
Energy: 1.6001611961047721
Energy: 1.7349797788899701
Energy: 1.8954520041537908
Energy: 2.084927074856224
Energy: 1.5958670292185715
Energy: 2.084927074856224
Energy: 1.6074456696221258
Energy: 1.6690648614584904
Energy: 1.3013676851530145
Energy: 1.6690648614601418
Energy: 1.565647785709381
Energy: 2.006767771328163
Energy: 1.5521062639730525
Energy: 2.006767771336421
Energy: 1.9037677515690985
Energy: 1.7350937351579432
Energy: 1.7237807742089544
Energy: 1.7350937351562914
Energy: 1.9697361683088888
Energy: 2.202446717645805
Energy: 1.691718571906256
Energy: 2.202446717645805
Energy: 1.691737145780578
Energy: 2.3762638581113675
Energy: 1.6015579777896118
Energy: 2.3762638581097164
Energy: 1.6653803512704792
Energy: 1.6479135224622055
Energy: 1.5969451777628612
Energy: 1.6479135224622055
Energy: 1.6052483812180436
Energy: 1.5395060802748022
Energy: 1.303211415581761
Energy: 1.5395060802748022
Energy: 1.5957724508717863
Energy: 2.0049174986511793
Energy: 1.3015537898548903
Energy: 2.0049174986511793
Energy: 1.9699266981326617
Energy: 2.132987086534165
Energy: 1.6920918899358512
Energy: 2.1329870865325136

minimum gb energy = 1.3013676851530145 eV
minimum distance =  2.45401403247953 Angstroms
sigma value = 9


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

Energy: 1.959150051914843
Energy: 1.986844595226148
Energy: 2.031909573317541
Energy: 2.0421184469197087
Energy: 1.9010374402977908
Energy: 2.0430232770254104
Energy: 2.2604960612046976
Energy: 2.043023277023577
Energy: 1.5796799563959476
Energy: 1.8495106370638015
Energy: 1.7827598041256665
Energy: 1.8495106370644125
Energy: 1.551849452923111
Energy: 2.076431692349842
Energy: 2.106626144302555
Energy: 2.076431692348008
Energy: 1.5078233428234165
Energy: 1.814433798123681
Energy: 1.980388256763989
Energy: 1.81443379812307
Energy: 1.7028773808480084
Energy: 2.08396469829134
Energy: 2.0846591473244183
Energy: 2.083964698291951
Energy: 2.2053301670974848
Energy: 2.1027672842066467
Energy: 2.083056925825049
Energy: 2.1027672681481153
Energy: 2.31334616868919
Energy: 2.187089558698881
Energy: 2.005879905900924
Energy: 2.187089558698881
Energy: 1.7883904790132774
Energy: 1.9220430699704458
Energy: 1.594937121333525
Energy: 1.9220430699716682
Energy: 1.5127150078304317
Energy: 1.6966895216440419
Energy: 1.9770358555965966
Energy: 1.6966895216293716
Energy: 1.7446916354137183
Energy: 2.0038836207935353
Energy: 2.3933634325597857
Energy: 2.0038836207935353
Energy: 1.7985114075404263
Energy: 1.800344606628039
Energy: 1.9651787899927573
Energy: 1.8003446066848858
Energy: 2.2868651601323484
Energy: 2.1471265217285653
Energy: 1.9413034126672448
Energy: 2.1471265217291764
Energy: 2.210485652159681
Energy: 2.0521396077419793
Energy: 1.751744349742098
Energy: 2.0521396077413683
Energy: 2.104715594435059
Energy: 2.0814280178804325
Energy: 1.6466782248406902
Energy: 2.081428017881044
Energy: 1.663665763204551
Energy: 1.8884631218476162
Energy: 1.6178248717889447
Energy: 1.8884631218482273
Energy: 1.9093794442584473
Energy: 1.9823851646511992
Energy: 2.0308601164147064
Energy: 1.9823851646542554
Energy: 1.933380788396833
Energy: 1.8822333367325847
Energy: 1.841056098875146
Energy: 1.8822333367350297
Energy: 2.220410108439758
Energy: 2.197498791922459
Energy: 1.921763122364978
Energy: 2.197498791922459
Energy: 1.781350099939397
Energy: 1.7374527317407684
Energy: 1.6646017997776104
Energy: 1.737452731744436
Energy: 2.1230348383752093
Energy: 1.9237376415925085
Energy: 1.626679369303739
Energy: 1.92373764159312
Energy: 2.1348607433134985
Energy: 1.877491364761975
Energy: 1.5197693173250957
Energy: 1.8774913647589189
Energy: 1.9805319245277146
Energy: 2.2087514817628358
Energy: 1.7627406922547793
Energy: 2.2087514817628358
Energy: 2.1016920986700156
Energy: 2.283546306834424
Energy: 2.2103844690407626
Energy: 2.283546306834424
Energy: 2.022549589006522
Energy: 2.203990961271681
Energy: 2.217173015575262
Energy: 2.203990961271681
Energy: 1.597339721227713
Energy: 2.1102490734497206
Energy: 1.8168363759729185
Energy: 2.110249073450943
Energy: 1.8966983508126884
Energy: 1.6642502250627387
Energy: 1.5133775775408433
Energy: 1.6642502250639615
Energy: 2.153258333922126
Energy: 2.0000310158979517
Energy: 1.732315703375005
Energy: 2.000031015896729
Energy: 1.9620846891180403
Energy: 1.758571685656742
Energy: 1.79663823103428
Energy: 1.7585716856536855
Energy: 1.9323199098449655
Energy: 2.1040506652349147
Energy: 2.3773626952652664
Energy: 2.104050665234303
Energy: 1.7649471241673382
Energy: 1.8240618560430137
Energy: 1.7858064971468943
Energy: 1.8240618560546276
Energy: 1.727384958573909
Energy: 2.076378669967925
Energy: 2.104557627058763
Energy: 2.0763786699685363
Energy: 1.577145847444326
Energy: 1.856952544665725
Energy: 1.6671999984483126
Energy: 1.856952544664502
Energy: 1.930391208134452
Energy: 1.9248024150668372
Energy: 1.926651738675017
Energy: 1.9248024150656147
Energy: 1.9624612183177632
Energy: 1.9922966063001986
Energy: 2.021923937093299
Energy: 1.9922966063001986

minimum gb energy = 1.5078233428234165 eV
minimum distance =  2.4714901253391 Angstroms
sigma value = 73


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

Energy: 1.9300112039090744
Energy: 1.8254447353971366
Energy: 1.9647747721168531
Energy: 1.973345593356474
Energy: 1.8076076866084492
Energy: 1.8454766374580358
Energy: 2.3534282479553896
Energy: 1.8454766374580358
Energy: 1.6883196522661252
Energy: 2.0063066304530066
Energy: 1.6577524587118586
Energy: 2.0063066304539765
Energy: 1.566809421239889
Energy: 1.8474147531907346
Energy: 2.1195005337834556
Energy: 1.847414753189765
Energy: 1.5802860967248584
Energy: 1.9842461613190954
Energy: 1.941776944612028
Energy: 1.9842461613171556
Energy: 1.5921195019299839
Energy: 2.071040817616652
Energy: 1.9543793393093258
Energy: 2.071040817616652
Energy: 2.321274335112262
Energy: 2.2737697548041003
Energy: 2.028663379822616
Energy: 2.27376975480507
Energy: 2.344250900838014
Energy: 1.9972875998171358
Energy: 2.019557157664896
Energy: 1.9972875998181054
Energy: 1.8012187780117443
Energy: 2.001178106114989
Energy: 1.736531115038245
Energy: 2.001178106115959
Energy: 1.481102278538799
Energy: 1.7438340227728892
Energy: 1.8680996229359135
Energy: 1.743834022770024
Energy: 1.8043730351345342
Energy: 1.9202727470907672
Energy: 2.492046890761067
Energy: 1.9202727470907672
Energy: 1.8160049707768888
Energy: 2.398791965352408
Energy: 1.7447798714197125
Energy: 2.398791965352408
Energy: 1.8409569384774733
Energy: 2.0057394803739226
Energy: 1.8365807907741118
Energy: 2.0057394803748925
Energy: 1.6569785680004068
Energy: 1.985508322655488
Energy: 1.742460607635141
Energy: 1.9855083226535484
Energy: 2.1642867995926025
Energy: 2.077537131636043
Energy: 1.6507853228850882
Energy: 2.077537131635073
Energy: 1.9407319606487163
Energy: 1.9842600821185328
Energy: 1.6130747177398685
Energy: 1.9842600821175629
Energy: 2.089913823057671
Energy: 2.084650792391458
Energy: 1.620249959145071
Energy: 2.0846507923904882
Energy: 2.039293953730487
Energy: 1.944208415034772
Energy: 2.316853733403029
Energy: 1.9442084150328323
Energy: 1.863429676504259
Energy: 1.7428866182378693
Energy: 2.075623878379342
Energy: 1.7428866182378693
Energy: 1.6215930079363847
Energy: 1.8284666803400875
Energy: 1.6458066109088367
Energy: 1.8284666803400875
Energy: 1.8832808003766306
Energy: 1.7906416086711578
Energy: 1.4817323300866476
Energy: 1.7906416088504842
Energy: 1.931899412070536
Energy: 2.162404750672188
Energy: 1.9650464327499926
Energy: 2.162404750673158

minimum gb energy = 1.481102278538799 eV
minimum distance =  2.4366347624541 Angstroms
sigma value = 7


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

Energy: 2.335372579351364
Energy: 1.9668910645168722
Energy: 2.022606275910593
Energy: 2.0257510390601725
Energy: 2.073227120125183
Energy: 1.8914857753323542
Energy: 2.1099012512182433
Energy: 1.8914857753309828
Energy: 1.6106413465668432
Energy: 1.9410073638747818
Energy: 1.5995724262576672
Energy: 1.9410073638747818
Energy: 1.5208088363171888
Energy: 1.8197814454908185
Energy: 2.2306724824977815
Energy: 1.8197814454901327
Energy: 1.7606848784661566
Energy: 1.9610624853307366
Energy: 1.8037118033854964
Energy: 1.9610624853307366
Energy: 1.8161993223572641
Energy: 2.2117604158085693
Energy: 1.9715498332537416
Energy: 2.211760415807883
Energy: 2.0719406628385917
Energy: 2.139822763986118
Energy: 1.7681741896171803
Energy: 2.139822764053322
Energy: 2.143664551473451
Energy: 1.9396839920520799
Energy: 1.7561852263966975
Energy: 1.9396839920507085
Energy: 2.107271539274462
Energy: 1.7204976250848694
Energy: 1.472553950209182
Energy: 1.720497625086241
Energy: 1.7964821281714536
Energy: 1.9591489635670192
Energy: 1.7459092644356107
Energy: 1.9591489635519326
Energy: 2.1398326149005644
Energy: 2.3575718990497374
Energy: 2.3358298732868854
Energy: 2.3575718990469943
Energy: 2.0416346278337802
Energy: 2.0241345691888983
Energy: 2.06590976706874
Energy: 2.024134569190956
Energy: 1.7410427563473236
Energy: 1.8008803808763933
Energy: 1.8459339340593774
Energy: 1.800880380875022
Energy: 1.6681366331809344
Energy: 1.8694477142501145
Energy: 1.4788902100174315
Energy: 1.8694477142508001
Energy: 1.9188965221728744
Energy: 1.7424846724876022
Energy: 1.6283995655366188
Energy: 1.7424846724869167
Energy: 2.2041123207918534
Energy: 1.8902039087379447
Energy: 1.9066784655271622
Energy: 1.8902039086783462
Energy: 2.3599921553790923
Energy: 2.0571465971120824
Energy: 2.163607115441904
Energy: 2.057146597113454
Energy: 1.6904658807967794
Energy: 1.9650996800119092
Energy: 1.598535783096602
Energy: 1.9650996800132805
Energy: 1.5935941384444015
Energy: 1.8302908601775563
Energy: 2.1440123081472606
Energy: 1.8302908601713848
Energy: 1.7788930506988323
Energy: 1.8529618736416629
Energy: 2.3585165112722164
Energy: 1.8529618736416629
Energy: 1.826566795855463
Energy: 2.2957277144737978
Energy: 1.8006953390562197
Energy: 2.295727714472427
Energy: 2.0764318436551736
Energy: 2.1067083906619497
Energy: 1.971124658610819
Energy: 2.1067083906619497
Energy: 2.0714202946351596
Energy: 1.941082816214673
Energy: 1.7717905739101398
Energy: 1.9410828162160445
Energy: 2.077109759603452
Energy: 1.8655593098566714
Energy: 1.5202106912987876
Energy: 1.8655593098552998
Energy: 1.7989276790065056
Energy: 1.9434272234338275
Energy: 1.6852588585936568
Energy: 1.9434272234317702
Energy: 2.089949071684984
Energy: 1.9985419635360122
Energy: 1.7537155802311042
Energy: 1.9985419635360122
Energy: 2.060672379401267
Energy: 2.0522211542937496
Energy: 2.0615492487404565
Energy: 2.0522211542882633
Energy: 1.8324258694674664
Energy: 1.7586240314994828
Energy: 1.946431282040692
Energy: 1.7586240314981114
Energy: 1.5468559356409828
Energy: 1.72786351581513
Energy: 1.5947083403942799
Energy: 1.7278635158137583
Energy: 1.913968004578292
Energy: 1.9599968987063754
Energy: 1.4807695136407522
Energy: 1.9599968987036325
Energy: 2.317594030157968
Energy: 2.1451422461943674
Energy: 2.044605978895075
Energy: 2.1451422461957383

minimum gb energy = 1.472553950209182 eV
minimum distance =  2.45134764094857 Angstroms
sigma value = 29


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

Energy: 1.257375025411454
Energy: 1.2588366648822626
Energy: 1.6890465393988456
Energy: 1.7832810620434305
Energy: 1.2625556537214055
Energy: 1.4203036596739724
Energy: 1.8462317866304145
Energy: 1.420303659671637
Energy: 1.6867586275443662
Energy: 1.7896836577073234
Energy: 1.2655653983994881
Energy: 1.789683657709659
Energy: 1.3097206474207936
Energy: 1.2875593951635824
Energy: 1.8463185243397855
Energy: 1.2875593951612467
Energy: 1.683495482113832
Energy: 1.5835251393284207
Energy: 1.261790487729163
Energy: 1.5835251393237495
Energy: 1.6891844700477545
Energy: 1.4322244534084705
Energy: 1.261723004006423
Energy: 1.4322244534084705
Energy: 1.2669345981902214
Energy: 1.7908508659015012
Energy: 2.196224320869195
Energy: 1.7908508658991658
Energy: 1.3821573280594646
Energy: 1.2854263771578431
Energy: 1.311067677821772
Energy: 1.2854263771555077
Energy: 1.2616349085652492
Energy: 1.285583362612618
Energy: 1.7945808643102164
Energy: 1.285583362635921

minimum gb energy = 1.257375025411454 eV
minimum distance =  2.51581533462466 Angstroms
sigma value = 5


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

Energy: 1.7016196151996237
Energy: 2.1354549852137796
Energy: 2.063683409348904
Energy: 2.152158865606816
Energy: 1.9905204534138528
Energy: 1.7323012322428453
Energy: 1.929954532543514
Energy: 1.7323012322428453
Energy: 1.5704550559997448
Energy: 1.6577345458036967
Energy: 1.5164426896278234
Energy: 1.6577345458043447
Energy: 1.3193839831800271
Energy: 1.6838154760910216
Energy: 1.8560683352954404
Energy: 1.6838154760936128
Energy: 2.006133489077519
Energy: 1.4410009802040857
Energy: 2.034280638370606
Energy: 1.4410009802053814
Energy: 1.715468414908515
Energy: 1.4413327566375838
Energy: 2.0505541541363574
Energy: 1.4413327566272194
Energy: 1.331804336540763
Energy: 1.3071786555594707
Energy: 1.8670542084242476
Energy: 1.3071786555581753
Energy: 1.440351112052156
Energy: 1.6398610416418333
Energy: 1.7093632414663893
Energy: 1.6398610416411854
Energy: 1.9386244539284223
Energy: 2.275052634007649
Energy: 1.9294107728877508
Energy: 2.2750526340070008
Energy: 1.5088769843465606
Energy: 2.08236341906963
Energy: 1.7637589799098303
Energy: 2.0823634190702776
Energy: 1.8799246476451015
Energy: 1.4979627289724582
Energy: 1.3200796070737109
Energy: 1.4979627289698674
Energy: 1.898125102752684
Energy: 1.6581676406169366
Energy: 1.4474756125443389
Energy: 1.6581676406175845
Energy: 1.71174851180437
Energy: 2.287857350067189
Energy: 2.0162595508736163
Energy: 2.287857350066541
Energy: 1.855100313609023
Energy: 2.1511515430760064
Energy: 1.5164660297277128
Energy: 2.1511515430760064
Energy: 1.3370057034263905
Energy: 1.6692801752515571
Energy: 1.6493288832805957
Energy: 1.669280175252205
Energy: 1.3136707251231106
Energy: 1.3083090434308617
Energy: 1.969244815886861
Energy: 1.3083090434295663
Energy: 2.0623773949534554
Energy: 2.2166557222615926
Energy: 2.2263869754185324
Energy: 2.216655722260297
Energy: 1.9318155062218219
Energy: 1.7270948286961374
Energy: 1.990292810918708
Energy: 1.7270948286935464
Energy: 1.5133210609633796
Energy: 1.9332881726970723
Energy: 1.5744869717096224
Energy: 1.9332881726970723
Energy: 1.853096167132005
Energy: 1.6839270386326957
Energy: 1.3165634448187018
Energy: 1.68392703864041
Energy: 2.134573067802316
Energy: 1.5571628051809447
Energy: 1.977697320558194
Energy: 1.5571628051815927
Energy: 1.9706589154780887
Energy: 1.441043791676576
Energy: 1.750677198201243
Energy: 1.4410437916778716
Energy: 1.8719763367189635
Energy: 1.3157871583296172
Energy: 1.308856148267254
Energy: 1.3157871583283216
Energy: 1.7110409293369875
Energy: 1.3351043107110883
Energy: 1.3340865249022533
Energy: 1.335104310711736
Energy: 1.836630811377981
Energy: 2.021701800099696
Energy: 1.9391632388110642
Energy: 2.021701800102287
Energy: 1.9175483080004536
Energy: 2.124548267088233
Energy: 1.5086726564123782
Energy: 2.124548267089529
Energy: 1.3239170749051594
Energy: 1.6573115533455562
Energy: 1.8832774569499784
Energy: 1.6573115533481473
Energy: 1.3313417165055186
Energy: 1.499792340426338
Energy: 2.193040465317458
Energy: 1.4997923404153257
Energy: 1.917286076053976
Energy: 2.1921120668156036
Energy: 1.705923322485695
Energy: 2.1921120668162515
Energy: 1.570202039402425
Energy: 2.1534795481640856
Energy: 1.8735031265018873
Energy: 2.153479548161495
Energy: 1.521611924740959
Energy: 1.669576143925743
Energy: 1.3418508853729745
Energy: 1.6695761439263908
Energy: 1.9656737779600857
Energy: 1.685570217449839
Energy: 1.309719122326881
Energy: 1.6855702174543736
Energy: 2.2295937519662035
Energy: 2.2321509627866885
Energy: 1.981707118103321
Energy: 2.2321509627866885

minimum gb energy = 1.3071786555581753 eV
minimum distance =  2.45907654452897 Angstroms
sigma value = 1


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

Energy: 1.9823275886135814
Energy: 2.1274205584641774
Energy: 1.8917131991339673
Energy: 2.195039240364071
Energy: 2.2413667989868995
Energy: 1.784151653106493
Energy: 1.703380258566608
Energy: 1.784151653106493
Energy: 1.6352432293829364
Energy: 1.805250271136207
Energy: 1.558820870186029
Energy: 1.805250271136207
Energy: 1.4025595199542817
Energy: 1.759916641283212
Energy: 1.825179208477662
Energy: 1.759916641283212
Energy: 1.915425584732173
Energy: 1.7639350036038182
Energy: 2.404563599944905
Energy: 1.763935003743501
Energy: 1.5503226370690883
Energy: 1.5214019845423292
Energy: 2.4065765552580314
Energy: 1.5214019845414337
Energy: 1.2746135995766736
Energy: 1.2754910786352656
Energy: 2.0941037907940796
Energy: 1.2754910786352656
Energy: 1.4339673487876592
Energy: 1.5340066061353026
Energy: 1.9922333821782612
Energy: 1.5340066061648596
Energy: 2.0985037088717973
Energy: 1.9410692243871546
Energy: 2.093918403415546
Energy: 1.9410692243871546
Energy: 1.6698021450081422
Energy: 2.086802783643414
Energy: 1.6552172751587757
Energy: 2.086802783643414
Energy: 2.2062960601234662
Energy: 1.5821238093929566
Energy: 1.4025181561347773
Energy: 1.5821238093938523
Energy: 2.0661166798600097
Energy: 1.4495396865259018
Energy: 1.474621821708417
Energy: 1.449539685155251
Energy: 1.8094702316800246
Energy: 2.0248529102860147
Energy: 1.9537136162692326
Energy: 2.0248529102860147
Energy: 1.567655321983577
Energy: 2.0785261045917327
Energy: 1.7581169367245506
Energy: 2.0785261045917327
Energy: 1.4077643417122
Energy: 1.9600113629226004
Energy: 1.8050357250949491
Energy: 1.9600113629217049
Energy: 1.4375629989281686
Energy: 1.6766613508801405
Energy: 2.0383858054652433
Energy: 1.6766613508801405
Energy: 2.068934779960415
Energy: 2.1289278055483893
Energy: 2.350504638310556
Energy: 2.1289278055465983
Energy: 1.531701132029096
Energy: 1.4313411208694045
Energy: 2.270968649993423
Energy: 1.4313411208676132
Energy: 1.370234168475311
Energy: 1.6865236719673857
Energy: 2.060593446630362
Energy: 1.6865236719673857
Energy: 1.438672847006895
Energy: 1.8883369627845765
Energy: 1.9900336700449275
Energy: 1.8883369627854723
Energy: 1.751671417514056
Energy: 2.225594593703434
Energy: 2.1017635435114355
Energy: 2.225594593702538
Energy: 1.6717643766808195
Energy: 1.4909309844740342
Energy: 1.2718573931728943
Energy: 1.4909309844740342
Energy: 2.184351987931028
Energy: 1.2700250459281452
Energy: 1.2705986481890055
Energy: 1.2700250459281452
Energy: 1.987619231215334
Energy: 1.3580595783115137
Energy: 1.6074852858574866
Energy: 1.3580595784028309

minimum gb energy = 1.2700250459281452 eV
minimum distance =  2.47615574563706 Angstroms
sigma value = 17


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

Energy: 1.9181965960428573
Energy: 2.154975668416441
Energy: 2.135425590795507
Energy: 2.183765834606581
Energy: 2.092301926857354
Energy: 1.5109562557296832
Energy: 1.4742547162760264
Energy: 1.5109562532108407
Energy: 1.6615612379300715
Energy: 1.8051167766257397
Energy: 1.4166849813827076
Energy: 1.8051167766263434
Energy: 1.5798403180393106
Energy: 2.0175684586492224
Energy: 1.4735415151678148
Energy: 2.0175684586519407
Energy: 2.008661478546757
Energy: 2.231690172477325
Energy: 1.8203130074416152
Energy: 2.231690172476771
Energy: 1.3479414286928133
Energy: 1.335282684009871
Energy: 2.139078458436033
Energy: 1.3352826840120853
Energy: 1.2312337926083727
Energy: 1.231013746842984
Energy: 2.194692814549652
Energy: 1.2310137468446953
Energy: 1.561661278938681
Energy: 1.283127880361147
Energy: 1.9232283615494625
Energy: 1.2831278803638648
Energy: 1.9953273428913765
Energy: 1.5041301006650125
Energy: 2.2552722146650392
Energy: 1.5041301006633012
Energy: 1.4101843574872148
Energy: 1.589265629008352
Energy: 1.4805335936706558
Energy: 1.5892656290105664
Energy: 1.8841025483077787
Energy: 1.8692005523371462
Energy: 1.2465920743402825
Energy: 1.8692005523377502
Energy: 2.188207936228676
Energy: 1.3540922898670256
Energy: 1.6520478771772238
Energy: 1.3540922898659187
Energy: 2.1484337070986688
Energy: 1.4025625188523745
Energy: 1.795137339847462
Energy: 1.4025625188529784
Energy: 1.9958182309675028
Energy: 1.2411897789001953
Energy: 1.2438564953661027
Energy: 1.241189778899692
Energy: 1.5827508189666495
Energy: 1.4924371779675842
Energy: 1.276903397490783
Energy: 1.4924371779636587
Energy: 1.9894933811161872
Energy: 2.2176601064876755
Energy: 2.179551195436925
Energy: 2.2176601064871218
Energy: 1.3346456702556047
Energy: 1.677967564984167
Energy: 1.7481007302932872
Energy: 1.677967564989703
Energy: 1.2446268075561295
Energy: 1.4702894208657409
Energy: 2.1431492775277583
Energy: 1.4702894208641302
Energy: 1.3158729698810254
Energy: 1.2445755981527078
Energy: 2.281063507710748
Energy: 1.2445755981538151
Energy: 2.1488382409959765
Energy: 2.2918860457616077
Energy: 1.91893391992415
Energy: 2.291886045759947
Energy: 1.4605452547959998
Energy: 1.5083114350008313
Energy: 2.059844211750516
Energy: 1.508311433869793
Energy: 1.4656518768892235
Energy: 1.8203471708465135
Energy: 1.6556180635408075
Energy: 1.8203471708471175
Energy: 1.4672432711964238
Energy: 2.021286979398555
Energy: 1.6695666370577176
Energy: 2.0212869793974484
Energy: 1.7525540760343181
Energy: 2.3299267388768006
Energy: 1.9604292635777538
Energy: 2.3299267388773544
Energy: 2.1262722165416292
Energy: 1.3355817360379212
Energy: 1.3697707267252057
Energy: 1.3355817360335933
Energy: 2.1956739698350964
Energy: 1.2313657911647606
Energy: 1.2345605897145557
Energy: 1.2313657911636537
Energy: 1.9203538750975384
Energy: 1.2392001955340561
Energy: 1.5674863664143557
Energy: 1.2392001955091951
Energy: 2.254517819160266
Energy: 1.6939856320642623
Energy: 1.8885798460765744
Energy: 1.6939856320653695
Energy: 1.479781891838049
Energy: 1.8278119477094321
Energy: 1.4133179555822046
Energy: 1.8278119477105392
Energy: 1.2484414524723293
Energy: 1.692872966679246
Energy: 2.003091697427393
Energy: 1.69287296667985
Energy: 1.7526906476129707
Energy: 1.5608654214923827
Energy: 2.1899716790662613
Energy: 1.560865420379059
Energy: 1.3490728916688435
Energy: 1.3560209702383659
Energy: 2.23739623349433
Energy: 1.356020970238869
Energy: 1.2394798631633135
Energy: 1.2410363560603996
Energy: 1.99082325900455
Energy: 1.2410363560626139
Energy: 1.282808520194872
Energy: 1.4918404314610272
Energy: 1.5780189650038854
Energy: 1.4918404314637446
Energy: 2.1323601106796457
Energy: 2.2591176560096926
Energy: 1.9874852276241046
Energy: 2.2591176560096926
Energy: 1.7472914376794182
Energy: 1.2559520971797975
Energy: 1.3344369872015434
Energy: 1.2556610811137277
Energy: 2.14412380453615
Energy: 1.4700049232996768
Energy: 1.241741877718422
Energy: 1.4700049232968586
Energy: 2.26105446325949
Energy: 1.4531381387187408
Energy: 1.2437593168425436
Energy: 1.4531381387198479

minimum gb energy = 1.231013746842984 eV
minimum distance =  2.49245696735354 Angstroms
sigma value = 89


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

Energy: 2.014285926883584
Energy: 1.1791106849181527
Energy: 1.696961047593757
Energy: 1.6980013802510217
Energy: 2.0683741147428454
Energy: 1.6943488898532029
Energy: 1.5944966296232836
Energy: 1.6943488898532029
Energy: 1.1220635279313964
Energy: 1.253148672782307
Energy: 1.6437446175052273
Energy: 1.253148672782307
Energy: 1.1246442406342465
Energy: 1.7546376671164263
Energy: 1.5975339960196893
Energy: 1.7546376671164263
Energy: 1.4681954637640657
Energy: 1.8866949816475307
Energy: 1.5720501733271608
Energy: 1.8866949816475307
Energy: 1.1339689764722125
Energy: 1.4101629450797342
Energy: 1.564457458286909
Energy: 1.4101629450782858
Energy: 1.1287758598151996
Energy: 1.1292550086073607
Energy: 2.072008448109136
Energy: 1.1292550086059123
Energy: 1.6839465560678666
Energy: 1.1341700362050562
Energy: 2.01974282412697
Energy: 1.1341700362079201
Energy: 1.5911439618943135
Energy: 1.6963192984434174
Energy: 2.034812224362238
Energy: 1.6963192984434174
Energy: 1.5732244775794735
Energy: 1.2553599221465443
Energy: 1.5921127893641362
Energy: 1.2553599221465443
Energy: 1.5977528427904655
Energy: 1.255156534846973
Energy: 1.119779995596608
Energy: 1.2551565348455245
Energy: 1.5861424847280654
Energy: 1.4083218236959014
Energy: 1.2194142584331198
Energy: 1.4083218236959014
Energy: 1.568691289387932
Energy: 1.4114013606011035
Energy: 1.4117822645227986
Energy: 1.4114013606011035
Energy: 2.0451339193194427
Energy: 1.1288166023007202
Energy: 1.1273143536161945
Energy: 1.1288166023007202
Energy: 2.0384885450914565
Energy: 1.1321482172604527
Energy: 1.683162779464312
Energy: 1.1321482172590043

minimum gb energy = 1.119779995596608 eV
minimum distance =  2.50883778263733 Angstroms
sigma value = 13


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

Energy: 1.7873024355741238
Energy: 1.1361567519191318
Energy: 1.757902490321485
Energy: 1.6463143425672608
Energy: 2.142158171702475
Energy: 1.3948108245037703
Energy: 1.3021998895823677
Energy: 1.3948108244879853
Energy: 1.8541089463572777
Energy: 1.4622979187720289
Energy: 1.2578745476706903
Energy: 1.4622979187744576
Energy: 1.4149520495679793
Energy: 2.0743213732991608
Energy: 1.7762247784137497
Energy: 2.074321373302196
Energy: 1.9505604279080766
Energy: 1.8568271469711053
Energy: 1.6761421371395722
Energy: 1.8568271469717124
Energy: 1.2988782773720335
Energy: 1.3857304581934506
Energy: 1.6786375828104663
Energy: 1.3857304581916294
Energy: 1.3005828231470828
Energy: 1.4004535915028193
Energy: 2.0817047292663853
Energy: 1.4004535915016052
Energy: 1.6361762358212286
Energy: 1.5197387725788623
Energy: 2.009361793092265
Energy: 1.519738772567934
Energy: 1.211043570238949
Energy: 1.202152464909867
Energy: 2.1354935226376988
Energy: 1.202152464911081
Energy: 1.0895895255691417
Energy: 1.0862181736218792
Energy: 2.0754669708498166
Energy: 1.0862181736249148
Energy: 1.193448558641954
Energy: 1.0961563649887556
Energy: 1.787240818588243
Energy: 1.0961563649741846
Energy: 1.7050005759283877
Energy: 1.889903884772237
Energy: 2.1339011048422982
Energy: 1.889903884772237
Energy: 1.6781674131766644
Energy: 1.8870601060246577
Energy: 1.6855514856524236
Energy: 1.8870601060289074
Energy: 1.7032247955067674
Energy: 1.9627465694502015
Energy: 1.4162143138187353
Energy: 1.9627465694544513
Energy: 2.098066648308423
Energy: 1.9683168999337657
Energy: 1.7416399564206935
Energy: 1.9683168999319443
Energy: 2.011717840522211
Energy: 1.1948673565621606
Energy: 1.201818985947038
Energy: 1.1948673565609464
Energy: 2.0850970549366834
Energy: 1.087179638606081
Energy: 1.090515619755502
Energy: 1.087179638606688
Energy: 1.7890271874882306
Energy: 1.3194647709044909
Energy: 1.3319602427288852
Energy: 1.319464770906312
Energy: 2.1364460962867997
Energy: 1.402623376907138
Energy: 1.4982535848813088
Energy: 1.402623376907138
Energy: 1.986675097042673
Energy: 1.48971266352609
Energy: 1.2513455664235906
Energy: 1.4897126635224474
Energy: 1.4119963105266118
Energy: 1.4687341498952327
Energy: 1.2990424305849333
Energy: 1.46873414989159
Energy: 1.9550157411485047
Energy: 2.0899048863842014
Energy: 1.6784879709575455
Energy: 2.089904886387844
Energy: 1.3058831683794057
Energy: 1.3883195595603166
Energy: 1.6086278341454994
Energy: 1.3883195595572813
Energy: 1.0867804400421432
Energy: 1.4021271523205325
Energy: 2.0916323803095227
Energy: 1.4021271523199255
Energy: 1.5209735241006181
Energy: 1.5203748259556817
Energy: 2.079157757885493
Energy: 1.520374825957503
Energy: 1.2190131669588558
Energy: 1.311708002163057
Energy: 2.0113900088485583
Energy: 1.3117080021618428
Energy: 1.0856677139246376
Energy: 1.0842825698927658
Energy: 2.08204821698269
Energy: 1.0842825698903376
Energy: 1.1920873464294872
Energy: 1.0946164562123033
Energy: 1.7915801295725107
Energy: 1.0946164562123033
Energy: 1.7078109577367737
Energy: 1.8917304257112362
Energy: 2.111251404648711
Energy: 1.8917304257106289
Energy: 1.250217851689064
Energy: 1.8420141459269654
Energy: 1.6910069346940553
Energy: 1.8420141459287869
Energy: 1.6906954736012916
Energy: 1.790870018538522
Energy: 1.4130922909723689
Energy: 1.7908700185330582
Energy: 1.9871318708279266
Energy: 1.7592356310785164
Energy: 1.859712248463025
Energy: 1.7592356310797308
Energy: 2.0770068846969227
Energy: 1.1972868638716643
Energy: 1.208818814856671
Energy: 1.1972868638704501
Energy: 2.086153092477461
Energy: 1.0843414913122127
Energy: 1.0853081840560688
Energy: 1.0843414913122127
Energy: 2.2807193219252717
Energy: 1.3152857441129862
Energy: 1.308688877275072
Energy: 1.3152857441129862

minimum gb energy = 1.0842825698903376 eV
minimum distance =  2.50051661107675 Angstroms
sigma value = 37


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

Energy: 1.7456776443390665
Energy: 1.1529579518522577
Energy: 1.1103345185981253
Energy: 1.1105018301658742
Energy: 2.1762700521142975
Energy: 1.5087015142065445
Energy: 1.4445453139631428
Energy: 1.5087015142054998
Energy: 1.7934657471580364
Energy: 1.4648355684446852
Energy: 1.3031685735848566
Energy: 1.4648355684446852
Energy: 1.752455646025748
Energy: 1.9632101652400875
Energy: 1.80697149553547
Energy: 1.9632101652421767
Energy: 1.861599137557327
Energy: 2.0145467639776147
Energy: 1.4160732508659393
Energy: 2.014546763978659
Energy: 1.3350735375321283
Energy: 1.3860253051458118
Energy: 1.7360387782878797
Energy: 1.3860253051458118
Energy: 1.1370102088783471
Energy: 1.3536699326525157
Energy: 2.104746594832985
Energy: 1.3536699326514712
Energy: 1.576640353487439
Energy: 1.6138482513139483
Energy: 2.1278668855202487
Energy: 1.6138482513139483
Energy: 1.4224753625635425
Energy: 1.2990895157482998
Energy: 2.0578006010412713
Energy: 1.299089515747255
Energy: 1.154297771180658
Energy: 1.2520163005384073
Energy: 2.1280304211832
Energy: 1.2520163005384073
Energy: 1.3030637282024553
Energy: 1.3048335449577249
Energy: 1.5571818612241861
Energy: 1.3048335449587694
Energy: 1.485289569218117
Energy: 1.7145984770589662
Energy: 2.1731732380517674
Energy: 1.7145984770589662
Energy: 1.517415531971763
Energy: 1.720701990186361
Energy: 1.793158653580316
Energy: 1.7207019901853164
Energy: 1.7343292555392968
Energy: 1.930564019318957
Energy: 1.7521961923765614
Energy: 1.9305640193200015
Energy: 1.4160732508669835
Energy: 1.8591798421627834
Energy: 1.840259999917756
Energy: 1.8591798421617391
Energy: 1.7360387782878797
Energy: 1.4144045479865648
Energy: 1.3591445575504826
Energy: 1.4144045479865648
Energy: 2.1174838797463624
Energy: 1.5277131884843458
Energy: 1.1371810034016974
Energy: 1.5277131884843458
Energy: 2.1278668855202487
Energy: 1.6222165933198804
Energy: 1.662062866379227
Energy: 1.6222165933198804
Energy: 2.0578006010412713
Energy: 1.020048334675274
Energy: 1.2082951941002502
Energy: 1.0200483346763187
Energy: 2.1705978665475665
Energy: 1.017757670200355
Energy: 1.1120687658888808
Energy: 1.017757670200355

minimum gb energy = 1.017757670200355 eV
minimum distance =  2.48565891770464 Angstroms
sigma value = 25


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

Energy: 2.0092638217641112
Energy: 1.016629426937989
Energy: 1.0481311680065581
Energy: 0.9739757004441009
Energy: 2.225524451282868
Energy: 1.308421819341294
Energy: 1.2385826923369754
Energy: 1.3084218193404784
Energy: 1.9213269268026534
Energy: 1.2895948462345304
Energy: 1.165444500972664
Energy: 1.2895948462337148
Energy: 1.450306780480365
Energy: 1.8336507257752803
Energy: 1.8054837796347372
Energy: 1.8336507257736492
Energy: 2.0287164926236763
Energy: 1.8044201717240755
Energy: 1.6213619463870559
Energy: 1.8044201717232597
Energy: 1.5176962966408176
Energy: 1.6544038767347826
Energy: 1.6350053846252441
Energy: 1.6544038767372293
Energy: 1.4561942959554237
Energy: 1.7286056612998852
Energy: 2.081550088243181
Energy: 1.7286056613007008
Energy: 1.7422317706720007
Energy: 1.712257713846036
Energy: 1.724657301955162
Energy: 1.7122577138468518
Energy: 1.1502651357092417
Energy: 1.1815836512261162
Energy: 1.9928254314825866
Energy: 1.181583651224485
Energy: 1.153803508028125
Energy: 1.1677049578376437
Energy: 2.1742704576630145
Energy: 1.1677049578400907
Energy: 1.251066655868099
Energy: 1.3332800667330895
Energy: 1.7203270770826533
Energy: 1.3332800667347207
Energy: 1.0058263895420345
Energy: 1.1283484572628715
Energy: 2.1491843378311932
Energy: 1.128348457263687
Energy: 1.0242813829144912
Energy: 1.100227350299468
Energy: 2.16015301989499
Energy: 1.1002273503002835
Energy: 1.3749613891232872
Energy: 1.3477627007471582
Energy: 1.8618833701456092
Energy: 1.3477627007463424
Energy: 1.2134613749277356
Energy: 1.4910186728045907
Energy: 2.201245532532541
Energy: 1.4910186728045907
Energy: 1.3682996223522037
Energy: 1.5578992924882478
Energy: 1.9257591859782124
Energy: 1.5578992924882478
Energy: 1.7699059224501257
Energy: 1.7510707888822863
Energy: 1.944885128733937
Energy: 1.7510707888831019
Energy: 1.2068162315941078
Energy: 1.7552702717903619
Energy: 2.046168157848208
Energy: 1.7552702717911772
Energy: 1.621219739925161
Energy: 1.5408884984932394
Energy: 1.5362166716277534
Energy: 1.5408884984948708
Energy: 2.0963899469289355
Energy: 1.7247937449069133
Energy: 1.5175690646779456
Energy: 1.7247937449060977
Energy: 1.721861067963953
Energy: 1.283440323531789
Energy: 1.2048653092180688
Energy: 1.283440323531789
Energy: 1.9904824708969502
Energy: 1.3105496834636836
Energy: 0.9958316354201748
Energy: 1.3105496834636836
Energy: 2.1162393055900424
Energy: 1.4419693350554625
Energy: 1.3717076083376516
Energy: 1.4419693350554625
Energy: 1.7237662476561841
Energy: 1.0469601167850549
Energy: 1.0465623084470401
Energy: 1.0469601167842393
Energy: 2.207496397043715
Energy: 0.9007824011913302
Energy: 0.902309621064344
Energy: 0.9007824011913302
Energy: 1.936211483620304
Energy: 1.051506943717401
Energy: 0.9711703076077352
Energy: 1.0515069437157698

minimum gb energy = 0.9007824011913302 eV
minimum distance =  2.49665061008007 Angstroms
sigma value = 41


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

Energy: 2.0459291516059968
Energy: 0.8520822024425002
Energy: 0.9280122662707092
Energy: 0.9283421812854555
Energy: 2.208451591736618
Energy: 1.1503800603883216
Energy: 1.031644992708505
Energy: 1.1503800603843095
Energy: 1.8834697314393065
Energy: 1.1722546240106377
Energy: 1.0303803544754333
Energy: 1.1722546242051635
Energy: 1.5830430849990684
Energy: 1.4711639910073278
Energy: 1.4699646769613934
Energy: 1.4711639910019783
Energy: 1.9722946597170457
Energy: 1.5950888710079487
Energy: 1.4431066552900707
Energy: 1.5950888710079487
Energy: 1.5842863742449755
Energy: 1.5328104261959687
Energy: 1.415218994210025
Energy: 1.5328104261966373
Energy: 1.6446185706445826
Energy: 1.6733691257646681
Energy: 1.8202403751686758
Energy: 1.6733691257646681
Energy: 1.8251084587141257
Energy: 1.613589707512485
Energy: 1.365336431090537
Energy: 1.6135897075118162
Energy: 1.2403435256210822
Energy: 1.555158765838703
Energy: 1.737648421870633
Energy: 1.5551587658393715
Energy: 1.2413907132724211
Energy: 1.5367381639468154
Energy: 2.139257052335207
Energy: 1.5367381639461468
Energy: 1.0299599525643586
Energy: 1.1537808016704916
Energy: 1.8141618015629402
Energy: 1.1537808016704916
Energy: 0.9792335415578249
Energy: 1.1718476158667337
Energy: 2.0352468980527036
Energy: 1.1718476158680708
Energy: 1.1488195153328198
Energy: 1.268449938846163
Energy: 2.036673181971853
Energy: 1.2684499388475006
Energy: 0.9259612243636229
Energy: 0.9383512191423784
Energy: 1.8150634767770208
Energy: 0.9383512191430472
Energy: 0.8113117924181155
Energy: 0.8106077481640926
Energy: 2.2140657528890855
Energy: 0.8106077481647612
Energy: 0.9415594747061108
Energy: 0.9309165144990039
Energy: 1.9271531072622392
Energy: 0.9309165144996727
Energy: 1.23989997986113
Energy: 1.275026310793818
Energy: 1.934597695925078
Energy: 1.275026310795824
Energy: 0.9787227063294879
Energy: 1.1700047134984817
Energy: 2.0599229082308748
Energy: 1.1700047135065061
Energy: 1.0390744444353563
Energy: 1.1475889946780642
Energy: 1.6424664956075639
Energy: 1.1475889946660278
Energy: 1.4195248541241812
Energy: 1.541863537997788
Energy: 1.5846146575300637
Energy: 1.541863537997788
Energy: 1.3654315445022218
Energy: 1.6274631464836682
Energy: 1.7427938958164062
Energy: 1.6274631464836682
Energy: 1.4220769856827487
Energy: 1.6054098816907731
Energy: 1.586773141922402
Energy: 1.6054098816901046
Energy: 1.73688433758032
Energy: 1.591080193865596
Energy: 1.5849558272393998
Energy: 1.591080193865596
Energy: 1.3661953074681623
Energy: 1.517814772616234
Energy: 1.423133712549684
Energy: 1.517814772616234
Energy: 1.7667961597311643
Energy: 1.512732202803027
Energy: 1.1471072519954075
Energy: 1.5127322028023582
Energy: 1.7566106895699967
Energy: 1.5399277045566584
Energy: 1.4205390720219162
Energy: 1.5399277045586646
Energy: 1.7894390320369438
Energy: 1.1769367260688106
Energy: 1.039747609880691
Energy: 1.176936726068142
Energy: 2.045172611166875
Energy: 1.1491404920505126
Energy: 0.976995718086947
Energy: 1.1491404920518498
Energy: 1.863398224388235
Energy: 1.2731407064528222
Energy: 1.1618030517982643
Energy: 1.2731407064528222
Energy: 1.7564709122871225
Energy: 0.9314995639610578
Energy: 0.9412136564256076
Energy: 0.9314995639610578
Energy: 2.0602451508667974
Energy: 0.8105278765929478
Energy: 0.8101460553176597
Energy: 0.8105278765929478
Energy: 2.051036895191559
Energy: 0.937491509371881
Energy: 0.9268440544632592
Energy: 0.937491509412002

minimum gb energy = 0.8101460553176597 eV
minimum distance =  2.50175024161867 Angstroms
sigma value = 15


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

Energy: 1.7708156342174757
Energy: 0.7832701668970373
Energy: 0.8461949950722528
Energy: 0.8560900386088109
Energy: 2.2186601059197506
Energy: 1.0433042597261633
Energy: 0.9363446709114762
Energy: 1.0433042597261633
Energy: 1.9395271510389924
Energy: 1.067554592294205
Energy: 0.9346971588065137
Energy: 1.0675545922925056
Energy: 1.7738968192397406
Energy: 1.3362190949017756
Energy: 1.2799726477231814
Energy: 1.3362190948372497
Energy: 2.015372867404807
Energy: 1.4524381424548123
Energy: 1.2827823278652255
Energy: 1.4524381424548123
Energy: 1.6974596542649962
Energy: 1.408603522315998
Energy: 1.2636004971723753
Energy: 1.408603522315998
Energy: 1.3943228605573734
Energy: 1.5338383804633862
Energy: 1.5569750772222575
Energy: 1.53383838046282
Energy: 2.007229299388129
Energy: 1.545434612597443
Energy: 1.2097619293166617
Energy: 1.545434612597443
Energy: 1.4085187692222143
Energy: 1.4411930501111332
Energy: 1.5544097194138509
Energy: 1.4411930501105665
Energy: 1.407400067418242
Energy: 1.4631978600168858
Energy: 1.8078019204663704
Energy: 1.4631978600151863
Energy: 1.3335050024523403
Energy: 1.385808254679286
Energy: 1.5799345885478429
Energy: 1.385808254679286
Energy: 1.0313187379624429
Energy: 1.4084488435302729
Energy: 1.8084331480659588
Energy: 1.4084488435302729
Energy: 1.2706543664169307
Energy: 1.3930980756815297
Energy: 1.8286324978430843
Energy: 1.393098075679264
Energy: 0.9515402190676022
Energy: 1.043366412168665
Energy: 1.5815925410048788
Energy: 1.0433664117015349
Energy: 0.8898955826476956
Energy: 1.0668373332856285
Energy: 2.071218229531835
Energy: 1.066837333272651
Energy: 1.0410686323208505
Energy: 1.1482761604046399
Energy: 1.8432911503553484
Energy: 1.1482761604029406
Energy: 0.864702711175
Energy: 0.8522026428636722
Energy: 1.8784685364956542
Energy: 0.8522026428648051
Energy: 0.7455844449611461
Energy: 0.745769026498574
Energy: 2.220140298068938
Energy: 0.7457690264991405
Energy: 0.8625696326706328
Energy: 0.8508638345582316
Energy: 1.8158641913295566
Energy: 0.8508638345570987
Energy: 1.0423994016638907
Energy: 1.1500102650676913
Energy: 1.968285873924092
Energy: 1.1500102650767547
Energy: 0.885651278018419
Energy: 1.0646615644121549
Energy: 2.112985318432874
Energy: 1.0646615644121549
Energy: 1.0012176999915958
Energy: 1.043322470130481
Energy: 1.775590544122188
Energy: 1.043322470129348
Energy: 1.2669946550623004
Energy: 1.391048929470192
Energy: 1.6951206408431476
Energy: 1.3910489294696253
Energy: 1.210576447686329
Energy: 1.4705786520360407
Energy: 1.8221625708491813
Energy: 1.4705786520349073
Energy: 1.2770866507756184
Energy: 1.4429265183375068
Energy: 1.3876113715694993
Energy: 1.4429265183369404
Energy: 1.5527609579228303
Energy: 1.467316325696852
Energy: 1.875157495978557
Energy: 1.467316325696852
Energy: 1.2435210383596764
Energy: 1.4302662881304957
Energy: 1.545559156381452
Energy: 1.4302662881316286
Energy: 1.8285463045660493
Energy: 1.5902476428631331
Energy: 1.3887449122977307
Energy: 1.5902476428631331
Energy: 1.5836336292103557
Energy: 1.4634795123059097
Energy: 1.5509866344760468
Energy: 1.4634795123053432
Energy: 1.5526015445581554
Energy: 1.4112621692361849
Energy: 1.2659315143092438
Energy: 1.411262169236751
Energy: 2.149856250427161
Energy: 1.394224442722525
Energy: 1.0312777172716114
Energy: 1.3942244427191264
Energy: 1.582550853703687
Energy: 1.34276572773315
Energy: 1.3505101683608454
Energy: 1.34276572773315
Energy: 1.8405504800416297
Energy: 1.0678954389502588
Energy: 0.9386540434299343
Energy: 1.0678954389536064
Energy: 2.0970565598684665
Energy: 1.0427339819489962
Energy: 0.935801475514311
Energy: 1.0427339819489962
Energy: 1.9715162939282374
Energy: 1.15227054423056
Energy: 1.1023574552267998
Energy: 1.1510103394447406
Energy: 2.08934726551589
Energy: 0.7499499333811539
Energy: 0.7544371532458274
Energy: 0.7499499333817203
Energy: 1.9612437355432761
Energy: 0.7481346447456855
Energy: 0.7527382381038425
Energy: 0.7481346447354891

minimum gb energy = 0.7455844449611461 eV
minimum distance =  2.4942745485966 Angstroms
sigma value = 85


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

Energy: 1.890903360393571
Energy: 0.7387101598636971
Energy: 0.7598279100518889
Energy: 0.7580896128803791
Energy: 2.2030796751537878
Energy: 0.9353721654352021
Energy: 0.8409058913970052
Energy: 0.9353721654371673
Energy: 1.7544332742555309
Energy: 0.9599512385774803
Energy: 0.8407231001185317
Energy: 0.9599512385779716
Energy: 1.5523201980068129
Energy: 1.1929446817807088
Energy: 1.1870613913911552
Energy: 1.192944681777761
Energy: 2.020871526166231
Energy: 1.272014593228155
Energy: 1.1425642387553039
Energy: 1.272014593228155
Energy: 1.5041412605306481
Energy: 1.2661407415824186
Energy: 1.1297062764193901
Energy: 1.2661407415819272
Energy: 1.5553916313847183
Energy: 1.322976863396572
Energy: 1.3815494186817545
Energy: 1.322976863396572
Energy: 1.7533849542197406
Energy: 1.3744252946218092
Energy: 1.0712847725294303
Energy: 1.3744252946213178
Energy: 1.5093373436226736
Energy: 1.3090373463014122
Energy: 1.3842551157287497
Energy: 1.3090373463014122
Energy: 1.507264202214097
Energy: 1.3379254812939498
Energy: 1.6113163218661781
Energy: 1.3379254812934587
Energy: 1.3817749128976367
Energy: 1.2973577472523097
Energy: 1.3900385692912327
Energy: 1.2973577472528008
Energy: 1.2314900789128278
Energy: 1.3140795371581506
Energy: 1.6357933292796856
Energy: 1.3140795371581506
Energy: 1.3738743515778742
Energy: 1.3170614859177832
Energy: 1.6311957356831457
Energy: 1.3170614859182745
Energy: 1.1695515928140046
Energy: 1.2365812020051212
Energy: 1.3904806087811492
Energy: 1.2365812020051212
Energy: 0.9160362761461662
Energy: 1.2669262432915684
Energy: 1.8466432688746623
Energy: 1.2669262432910773
Energy: 1.1947159338452447
Energy: 1.2453674265913446
Energy: 1.6300281356466868
Energy: 1.245367426591836
Energy: 0.8363351685592573
Energy: 0.9594920941513252
Energy: 1.7148349443807185
Energy: 0.95949209414936
Energy: 0.7952999061410161
Energy: 0.943237394597526
Energy: 2.0908264996976196
Energy: 0.9432373945970346
Energy: 0.9211592483688026
Energy: 1.0196517647066827
Energy: 1.879194381115706
Energy: 1.0196517647057002
Energy: 0.7577292795283525
Energy: 0.7587552867230509
Energy: 1.883278668715154
Energy: 0.7587552867220684
Energy: 0.6739411795745883
Energy: 0.6731216003765927
Energy: 2.1132778902877916
Energy: 0.6731216003756102
Energy: 0.7578107820722484
Energy: 0.7583498475981009
Energy: 1.8953724876727218
Energy: 0.7583498475971183
Energy: 0.982951599688139
Energy: 1.0230058760257958
Energy: 1.963877613406486
Energy: 1.0230058760272698
Energy: 0.7983742777738244
Energy: 0.958047600285767
Energy: 2.0885497396088644
Energy: 0.9580476002852756
Energy: 0.8775504397878368
Energy: 0.9334145300482455
Energy: 1.5505104405543415
Energy: 0.9334145300477542
Energy: 1.1276853796058468
Energy: 1.243539115005442
Energy: 2.0054034344672544
Energy: 1.2435391150059334
Energy: 1.1262579615814745
Energy: 1.2658497478300652
Energy: 1.7411819506245567
Energy: 1.2658497478300652
Energy: 1.3788347588253418
Energy: 1.3247973725777324
Energy: 1.553576766504182
Energy: 1.3247973725777324
Energy: 1.3832270639048718
Energy: 1.372655330440501
Energy: 1.898749805139351
Energy: 1.372655330440501
Energy: 1.381809222312006
Energy: 1.3069776636434556
Energy: 1.506643186721562
Energy: 1.3069776636434556
Energy: 1.6091742393750785
Energy: 1.394190598876362
Energy: 1.2296145159620053
Energy: 1.3941905988753795
Energy: 1.3931929686667697
Energy: 1.405920672318805
Energy: 1.6095151900856315
Energy: 1.4059206723192963
Energy: 1.6316235180526122
Energy: 1.3179479200389481
Energy: 1.25348929974256
Energy: 1.3179479200389481
Energy: 1.8976108046962255
Energy: 1.3158242968403988
Energy: 1.2536739751219683
Energy: 1.3158242968403988
Energy: 1.3876961019836052
Energy: 1.3244847382357916
Energy: 1.3738701492197505
Energy: 1.3244847382372655
Energy: 1.8427528119753236
Energy: 1.2659742560167448
Energy: 1.0902098194083747
Energy: 1.2659742560172362
Energy: 1.8421250311679684
Energy: 1.243193949239871
Energy: 1.1282699027479728
Energy: 1.243193949239871
Energy: 1.7234504492677911
Energy: 0.9339440998104495
Energy: 0.8364457560218328
Energy: 0.9339440998070104
Energy: 2.0734907164622656
Energy: 0.9582347696009584
Energy: 0.7971650580249935
Energy: 0.9582347696004672
Energy: 1.8805807109656576
Energy: 1.023516769231165
Energy: 0.9214731476797211
Energy: 1.023516769231165
Energy: 1.7239816142311757
Energy: 0.7586821732461174
Energy: 0.7581423927789884
Energy: 0.758682173250539
Energy: 2.2152009651770213
Energy: 0.6729821462427549
Energy: 0.6734033163371855
Energy: 0.6729821462422635
Energy: 1.812977277776134
Energy: 0.7589561432094186
Energy: 0.7577931342472322
Energy: 0.7589561432094186

minimum gb energy = 0.6729821462422635 eV
minimum distance =  2.49301524370822 Angstroms
sigma value = 113


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

Energy: 0.02144314951981338
Energy: 0.022281342566289334
Energy: 1.6639214640027018
Energy: 0.8084814707719756
Energy: 0.023144062430727603
Energy: 0.15476509227296534
Energy: 1.0001746705638157
Energy: 0.15476509227225194
Energy: 0.022244303358175843
Energy: 0.1525045849035813
Energy: 0.9987600437646628
Energy: 0.15250458490433663
Energy: 0.023810025146746044
Energy: 0.15452631051865123
Energy: 1.0030327778398256
Energy: 0.15452631051898696
Energy: 0.9999870685544607
Energy: 0.15519759576020897
Energy: 1.2909209810418096
Energy: 0.15519759576020897
Energy: 0.02221711359492119
Energy: 0.15245939675935435
Energy: 0.9983670749017809
Energy: 0.15245939675935435

minimum gb energy = 0.02144314951981338 eV
minimum distance =  2.73362093946376 Angstroms
sigma value = 1