Model name: model_name=Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.082927376031875
cohesive_energy=6.489023164852002
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017246382056639448
Energy: 0.017503505987667152
Energy: 2.38973949691484
Energy: 0.017503505987667152
Energy: 0.017503505987667152
Energy: 0.017677148359186094
Energy: 0.012132836163667844
Energy: 0.017677148359186094
Energy: 2.389739496915654
Energy: 0.012132836163667844
Energy: 0.010970508601732137
Energy: 0.012132836163667844
Energy: 0.017503505987667152
Energy: 0.017677148359186094
Energy: 0.012132836163667844
Energy: 0.017677148359186094

minimum gb energy = 0.010970508601732137 eV
minimum distance =  2.6668269807982 Angstroms
sigma value = 1


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

Energy: 0.5203227073453686
Energy: 0.060195452145945814
Energy: 0.1498546107750894
Energy: 0.06019545214489991
Energy: 0.4427725625098982
Energy: -0.06550322373749339
Energy: -0.006909129239565813
Energy: -0.0655032237385393
Energy: 0.5950603441900455
Energy: 0.06573834213044022
Energy: -0.04412214322975409
Energy: 0.0657383421283484
Energy: 0.3023111005074428
Energy: 0.09816552727599545
Energy: -0.003626634508376585
Energy: 0.09816552727704134
Energy: 0.2985901316872957
Energy: -0.050496613337832175
Energy: 0.3832622049248191
Energy: -0.050496613336786275
Energy: 0.5279284924450529
Energy: -0.014576900694927411
Energy: -0.030364571899183526
Energy: -0.014576900694927411
Energy: 0.1932955554442725
Energy: -0.022214481303863495
Energy: -0.05963152171803193
Energy: -0.022214475182818407
Energy: -0.015820000279540364
Energy: -0.05375340525245662
Energy: 0.3581661458224795
Energy: -0.05375340525559433
Energy: 0.17671617440807125
Energy: -0.05519482875328922
Energy: 0.31311046318396635
Energy: -0.05519482875328922
Energy: 0.49195949790923765
Energy: -0.02870679287943009
Energy: 0.2514170028627701
Energy: -0.028706792877338287
Energy: -0.03118213399003821
Energy: 0.21378367714125743
Energy: 0.32614445762152044
Energy: 0.21378367714230334
Energy: -0.019527400364351827
Energy: -0.06707231400901931
Energy: 0.8633862308331934
Energy: -0.067072314012157
Energy: 0.07877401533557638
Energy: 0.16440352286625043
Energy: 0.24604578818944073
Energy: 0.16440352286834228
Energy: 0.026054827116366766
Energy: -0.0443735088158927
Energy: 0.24399802736856954
Energy: -0.0443735088138009
Energy: 0.023783003588158737
Energy: 0.10802917509715185
Energy: 0.5031868240981892
Energy: 0.10802917509924363
Energy: 0.027442272782275522
Energy: 0.10845518527095907
Energy: 0.49409002742647606
Energy: 0.10845518527095907
Energy: 0.07416000924060039
Energy: -0.06465950918216085
Energy: 0.24397757829678013
Energy: -0.06465950918006905
Energy: 0.0845947951096144
Energy: 0.3605568357479142
Energy: 0.24693013822951657
Energy: 0.3605568357520978
Energy: -0.022437569349641067
Energy: -0.06717739858049801
Energy: 0.8074229427078129
Energy: -0.0671773985794521
Energy: -0.01846902678519272
Energy: 0.19494828907700482
Energy: 0.13547588603218136
Energy: 0.19494828907700482
Energy: 0.4929787655936465
Energy: 0.2577644581062507
Energy: 0.2354897414880543
Energy: 0.25776445811143267
Energy: 0.18570042973040696
Energy: -0.01935377316922527
Energy: 0.3540026009662708
Energy: -0.01935377316922527
Energy: 0.2217292335822879
Energy: -0.054460269439274275
Energy: 0.2365844430296728
Energy: -0.05446026943822838
Energy: 0.32555236545634636
Energy: 0.5364362140595135
Energy: -0.05949315459858637
Energy: 0.5364362140595135
Energy: 0.5302233883528384
Energy: -0.014783402836452781
Energy: -0.011549391786995957
Energy: -0.014783402838544584
Energy: 0.29695442122125487
Energy: -0.028906560257009897
Energy: 0.38247085373325995
Energy: -0.028906560257009897
Energy: 0.30223151433359313
Energy: 0.05528695129005176
Energy: -0.004509877107190029
Energy: 0.05528695129005176
Energy: 0.7784019241816279
Energy: 0.01890783285345437
Energy: -0.03915300439428266
Energy: 0.01890783285345437
Energy: 0.4442445876829068
Energy: -0.06597211607769106
Energy: -0.006772849762465596
Energy: -0.06597211607664516
Energy: 0.27557451870403826
Energy: -0.03229269828553599
Energy: -0.043806091193844814
Energy: -0.03229269828553599
Energy: 0.44267101375838147
Energy: -0.0749394654411298
Energy: -0.0029206823299884233
Energy: -0.07493946542439538
Energy: 0.5898952585492307
Energy: -0.014477732178157685
Energy: -0.020774383057570192
Energy: -0.014477732179203586
Energy: 0.2995385893439101
Energy: 0.21496754062568854
Energy: 0.04323435942705307
Energy: 0.21496754062045903

minimum gb energy = -0.0749394654411298 eV
minimum distance =  2.47111599376174 Angstroms
sigma value = 1


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

Energy: 0.9830392596983945
Energy: 0.3811880288848194
Energy: 0.37674428115557185
Energy: 0.3811880288848194
Energy: 0.49181026248990917
Energy: -0.01787505082915573
Energy: 0.04416568202540981
Energy: -0.017875050678953484
Energy: 0.3902336444259076
Energy: 0.20046103167649454
Energy: 0.017926593294930925
Energy: 0.20046103167768706
Energy: -0.044974500269770276
Energy: 0.1001909853563952
Energy: 0.04587103631472388
Energy: 0.1001909853563952
Energy: -0.04545846598731433
Energy: 0.294940681274497
Energy: 0.4716867045979287
Energy: 0.294940681274497
Energy: 0.4512983904812164
Energy: 0.13785103176363156
Energy: 0.2497591651825815
Energy: 0.13785103176363156
Energy: -0.006599388477315282
Energy: 0.09511808629167978
Energy: -0.0063766127216550025
Energy: 0.09511808606401849
Energy: -0.004901876118845347
Energy: -0.0054020510127309644
Energy: 0.7392022912437344
Energy: -0.0054020510127309644
Energy: 0.001439122765503902
Energy: 0.0199990535118677
Energy: 0.38987428936423457
Energy: 0.01999905351306021
Energy: 0.07034497213318812
Energy: -0.01953471267215984
Energy: -0.04552367048735056
Energy: -0.01953471267096733
Energy: 0.018265987466697654
Energy: -0.0073856402283299875
Energy: 0.3896195631492182
Energy: -0.0073856402283299875
Energy: 0.1487870570643988
Energy: -0.006762692010431382
Energy: 0.8129445154439264
Energy: -0.006762692011623892
Energy: 0.04405809187693833
Energy: 0.2403121806116369
Energy: 0.3724628896073218
Energy: 0.24031218061640694
Energy: 0.04405809187574581
Energy: 0.2382089747755771
Energy: 0.3725361696273562
Energy: 0.23820897462775986
Energy: 0.1486792256050987
Energy: -0.0067929616344126215
Energy: 0.8126174599207326
Energy: -0.0067929616344126215
Energy: 0.018281065155381502
Energy: -0.007232440898279494
Energy: 0.38957977717071873
Energy: -0.007232440898279494
Energy: 0.07034497213795818
Energy: -0.019854656907907883
Energy: -0.04547737379443011
Energy: -0.019854656907907883
Energy: 0.0013374347626933616
Energy: 0.020243030733009218
Energy: 0.3898772643940791
Energy: 0.020243030730624195
Energy: -0.00389970757133613
Energy: -0.005446780566383465
Energy: 0.7392022912401568
Energy: -0.005446780566383465
Energy: -0.006727629279959834
Energy: 0.09549377355308425
Energy: -0.00637502575726268
Energy: 0.09549377288912636
Energy: 0.45126500843114736
Energy: 0.1380356202521819
Energy: 0.24999358117347906
Energy: 0.1380356202521819
Energy: -0.045429781116592266
Energy: 0.2943832393033502
Energy: 0.4716867046050838
Energy: 0.2943832393045427
Energy: -0.04543500147952022
Energy: 0.10038347217085135
Energy: 0.04587103631353137
Energy: 0.10038347217323637
Energy: 0.3905981495617123
Energy: 0.2004200845346343
Energy: 0.01795080616960905
Energy: 0.20042008453344182
Energy: 0.4913057007193369
Energy: 0.13773006786985117
Energy: 0.044165682026602315
Energy: 0.13773006787104372
Energy: 0.9830392596983945
Energy: 0.3811880288860119
Energy: 0.3767442822688355
Energy: 0.38118802888362685
Energy: 0.4918102624911016
Energy: -0.01787504992322642
Energy: 0.04416568202540981
Energy: -0.017875049707490247
Energy: 0.3902336444259076
Energy: 0.20046103167887958
Energy: 0.017926593294930925
Energy: 0.20046103167887958
Energy: -0.04497450027096278
Energy: 0.1001909853563952
Energy: 0.04587103631472388
Energy: 0.1001909853563952

minimum gb energy = -0.04552367048735056 eV
minimum distance =  2.56773822505432 Angstroms
sigma value = 25


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

Energy: 0.6557357811728579
Energy: 0.2857442092124806
Energy: 0.3348931807185832
Energy: 0.2857442092124806
Energy: 0.6729916510219263
Energy: 0.2464849908784731
Energy: 0.2754303011336534
Energy: 0.2464849908770868
Energy: 0.7620952239282905
Energy: 0.2074353910579978
Energy: 0.20713747741737937
Energy: 0.2074353910579978
Energy: 0.5194785759462995
Energy: 0.23087430076972681
Energy: 0.2429997818352425
Energy: 0.2308743007669543
Energy: 0.5100700561057103
Energy: 0.2354758650470544
Energy: 0.5681755548554932
Energy: 0.23547586504566814
Energy: 0.7293535853250888
Energy: 0.2390120567214017
Energy: 0.25507653140964387
Energy: 0.2390120567214017
Energy: 0.2439768598011818
Energy: 0.256414340541843
Energy: 0.25318956547757826
Energy: 0.256414340541843
Energy: 0.1747129837229927
Energy: 0.19194769910006593
Energy: 1.0675674122471215
Energy: 0.19194769910006593
Energy: 0.3431122852042866
Energy: 0.36255175388434796
Energy: 0.5083941084934678
Energy: 0.36255175388573424
Energy: 0.2785742313504839
Energy: 0.25711435162206114
Energy: 0.673513444537301
Energy: 0.25711435162067486
Energy: 0.23017515642555447
Energy: 0.3614730211863229
Energy: 0.6778398734133481
Energy: 0.3614730211877092
Energy: 0.25806180459709954
Energy: 0.24321269986180483
Energy: 0.6756346668005315
Energy: 0.24321269986180483
Energy: 0.16111722863252
Energy: 0.25706189462610746
Energy: 0.6746817918401691
Energy: 0.25706189462472123
Energy: 0.32071069266955926
Energy: 0.3615986432668775
Energy: 0.5150434473897236
Energy: 0.3615986432682638
Energy: 0.21632971095407721
Energy: 0.1919753678582356
Energy: 1.0676632335943874
Energy: 0.19197536785962185
Energy: 0.26361616117735953
Energy: 0.23180583900841384
Energy: 0.2381689686211407
Energy: 0.2318058390111864
Energy: 1.0454936738735052
Energy: 0.23870822181577464
Energy: 0.240134627573272
Energy: 0.23870822181577464
Energy: 0.5039542178282697
Energy: 0.24765594952519973
Energy: 0.5676549709413872
Energy: 0.24765594952519973
Energy: 0.5174141220841549
Energy: 0.230843537585435
Energy: 0.34798932428264023
Energy: 0.23084353758682125
Energy: 0.5673357001989915
Energy: 0.2418222277741209
Energy: 0.207266178230165
Energy: 0.2418222277755072
Energy: 0.6732743875924504
Energy: 0.24706168413315935
Energy: 0.2616923977046898
Energy: 0.24706168413454563
Energy: 0.5655890424774801
Energy: 0.3034774939257533
Energy: 0.2955276487033281
Energy: 0.3034774939257533
Energy: 0.6701540290353712
Energy: 0.37960047526216856
Energy: 0.3383220392666338
Energy: 0.3796004752649411
Energy: 0.8409775511943457
Energy: 0.2073961521679897
Energy: 0.20720594993664423
Energy: 0.20739615216937596
Energy: 0.5311984164554306
Energy: 0.23150809338631606
Energy: 0.23584963478184154
Energy: 0.23150809338770234

minimum gb energy = 0.16111722863252 eV
minimum distance =  2.56708991825889 Angstroms
sigma value = 9


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

Energy: 0.2526533680449273
Energy: 0.2512180586948784
Energy: 0.6003750507471811
Energy: 0.25121805867999497
Energy: 0.22359833000813217
Energy: 0.07901928670327131
Energy: 0.0784580114611288
Energy: 0.07901928670327131
Energy: 0.45115772122931724
Energy: 0.40944077271582446
Energy: 0.3376695208789209
Energy: 0.40944077271582446
Energy: 0.07869681557317068
Energy: 0.07912554466857993
Energy: 0.07901179476035801
Energy: 0.07912554466857993
Energy: 0.07924186394184257
Energy: 0.07925509023862277
Energy: 0.3279844278645245
Energy: 0.07925509024027651
Energy: 1.0383431639954313
Energy: 0.07902565238044093
Energy: 0.07875749405887654
Energy: 0.07902565238044093
Energy: 0.07883423477608825
Energy: 0.07912843883458939
Energy: 0.07885506652270803
Energy: 0.07912843883458939
Energy: 0.33753842754608854
Energy: 0.07898582270841722
Energy: 0.8799083083202585
Energy: 0.07898582271007096
Energy: 0.4042144918626061
Energy: 0.0774580396339714
Energy: 0.23560057500411974
Energy: 0.07745803963889494
Energy: 0.40388696443008987
Energy: 0.25374341450513527
Energy: 0.23534933024923294
Energy: 0.25374341457624505
Energy: 0.07862621207618341
Energy: 0.21768525794358456
Energy: 0.7968484655309174
Energy: 0.21768525794358456
Energy: 0.4106313538773307
Energy: 0.12854308818041849
Energy: 0.07856187719000661
Energy: 0.12854308818703333
Energy: 0.404992120120011
Energy: 0.0787553668615038
Energy: 0.07854698034360856
Energy: 0.07875536685985009
Energy: 0.07900914461580487
Energy: 0.38254385734379626
Energy: 0.07901939518350252
Energy: 0.3825438573553722
Energy: 0.07856404305227227
Energy: 0.07876783616042675
Energy: 0.404992120120011
Energy: 0.07876783616042675
Energy: 0.078578379691579
Energy: 0.1318536873100309
Energy: 0.4100351245252923
Energy: 0.13185368731168462
Energy: 0.7966793996394524
Energy: 0.2144612429248571
Energy: 0.07867093569646112
Energy: 0.21446124293974056
Energy: 0.23537786065900612
Energy: 0.2534888523002779
Energy: 0.40388696443008987
Energy: 0.25348885228870194
Energy: 0.2362237964994928
Energy: 0.21731228808178163
Energy: 0.4042144918626061
Energy: 0.21731228807516678
Energy: 0.88200810898151
Energy: 0.07900780684445585
Energy: 0.3374819982697139
Energy: 0.07900780684445585
Energy: 0.07905574263467627
Energy: 0.07911687834998193
Energy: 0.0787130713573164
Energy: 0.0791168783483282

minimum gb energy = 0.0774580396339714 eV
minimum distance =  2.56475957218146 Angstroms
sigma value = 25


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

Energy: 0.3732650671889811
Energy: 0.3092407665241274
Energy: 0.6603427899378755
Energy: 0.3092407665241274
Energy: 0.5514092850087129
Energy: 0.5358146453005854
Energy: 0.4166324373541582
Energy: 0.5358146453005854
Energy: 0.5370795828411128
Energy: 0.49771973885874793
Energy: 0.3417917209558234
Energy: 0.49771973885874793
Energy: 0.39475668359397725
Energy: 0.5060347400327325
Energy: 0.480545901396501
Energy: 0.5060347400306874
Energy: 0.42552644913322274
Energy: 0.3002375920290822
Energy: 0.5756262919978427
Energy: 0.3002375920290822
Energy: 0.5774218306991711
Energy: 0.4309013672857954
Energy: 0.46271539715974175
Energy: 0.4309013672857954
Energy: 0.7303180920642024
Energy: 0.44832329377073843
Energy: 0.4030420612630672
Energy: 0.44832329377073843
Energy: 0.4477474173111454
Energy: 0.41382246826736263
Energy: 0.709900621416705
Energy: 0.41382246826736263
Energy: 0.41434313133932227
Energy: 0.3982567261289155
Energy: 0.4039324398802615
Energy: 0.3982567261289155
Energy: 0.6328021034507461
Energy: 0.39823849039870896
Energy: 0.40110296569423126
Energy: 0.39823849039870896
Energy: 0.47363536235521364
Energy: 0.4764546103100671
Energy: 0.5891677086516571
Energy: 0.4764546103100671
Energy: 0.4064298621582557
Energy: 0.3699767074762899
Energy: 0.423905144276595
Energy: 0.3699767074762899
Energy: 0.5077530989791929
Energy: 0.4624529344418115
Energy: 0.3981057906373768
Energy: 0.4624529344418115
Energy: 0.815704306472933
Energy: 0.4703334090070492
Energy: 0.6818330956951952
Energy: 0.4703334090070492
Energy: 0.8151865352681172
Energy: 0.29884782082714545
Energy: 0.6792949826558273
Energy: 0.29884782082714545
Energy: 0.5898792781987213
Energy: 0.40542657949108535
Energy: 0.3981617499858205
Energy: 0.40542657949313043
Energy: 0.4071425955023432
Energy: 0.42964890037924813
Energy: 0.3984803778336134
Energy: 0.42964890037924813

minimum gb energy = 0.29884782082714545 eV
minimum distance =  2.55952937534742 Angstroms
sigma value = 17


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

Energy: 0.6950032048936448
Energy: 0.21104229156482215
Energy: 0.5472861177752046
Energy: 0.21104229156482215
Energy: 0.4502650023395883
Energy: 0.4045191062174611
Energy: 0.3039839740895028
Energy: 0.4045191062174611
Energy: 0.3614744928241053
Energy: 0.2844720365282095
Energy: 0.20225246146770734
Energy: 0.2844720365270513
Energy: 0.2629611670199076
Energy: 0.2980430493171103
Energy: 0.3518846084425657
Energy: 0.2980430493182686
Energy: 0.28252898651556124
Energy: 0.3319545170574852
Energy: 0.4869574210804953
Energy: 0.33195451705632684
Energy: 0.5539455604602996
Energy: 0.1751219977703179
Energy: 0.29799347321666025
Energy: 0.1751219977703179
Energy: 0.4491438029261898
Energy: 0.2949580459855226
Energy: 0.438831868874553
Energy: 0.2949580459855226
Energy: 0.28795990089480356
Energy: 0.2894442755270104
Energy: 0.682584402803785
Energy: 0.2894442755270104
Energy: 0.23976198060469103
Energy: 0.2407126212956142
Energy: 0.23867642762097835
Energy: 0.2407126212956142
Energy: 0.5871022905557056
Energy: 0.39811623102736293
Energy: 0.34230442477782647
Energy: 0.39811623102736293
Energy: 0.26020456196060754
Energy: 0.3850853376212603
Energy: 0.4009345043429711
Energy: 0.3850853376212603
Energy: 0.2835710814810281
Energy: 0.29178614943740705
Energy: 0.3838732473219535
Energy: 0.29178614943740705
Energy: 0.6333851881785925
Energy: 0.3291522390503706
Energy: 0.22971577718014521
Energy: 0.32915223905152885
Energy: 0.2603887018486453
Energy: 0.3141236060975035
Energy: 0.38076509171968387
Energy: 0.3141236060986618
Energy: 0.25853962257563734
Energy: 0.24705364844717193
Energy: 0.5957975910734904
Energy: 0.24705364844717193
Energy: 0.4651180772113352
Energy: 0.27447973025240674
Energy: 0.24013132564439418
Energy: 0.27447973025240674
Energy: 0.23725084541284508
Energy: 0.5002980467373259
Energy: 0.24038093680265377
Energy: 0.5002980467361676
Energy: 0.22447768562390047
Energy: 0.31601028284631727
Energy: 0.638688789891222
Energy: 0.31601028284631727
Energy: 0.4489668225009916
Energy: 0.1917658851145712
Energy: 0.3867122060212964
Energy: 0.1917658851145712
Energy: 0.5561295630757163
Energy: 0.17554004398212272
Energy: 0.46271060261357266
Energy: 0.17554004398212272
Energy: 0.20705401237016574
Energy: 0.25309761086052596
Energy: 0.42662605945627585
Energy: 0.2530976108582094
Energy: 0.20644467944904807
Energy: 0.288970423311154
Energy: 0.23938469855852534
Energy: 0.2889704233088375
Energy: 0.4515853306949871
Energy: 0.2511647219145478
Energy: 0.23954845570792616
Energy: 0.2511647219133895
Energy: 0.4725960956534259
Energy: 0.4639386866043235
Energy: 0.6388366516178218
Energy: 0.4639386866043235
Energy: 0.6198748185902262
Energy: 0.590285664634621
Energy: 0.6395406129943196
Energy: 0.5902856646311461
Energy: 0.5263709535427851
Energy: 0.24252060620475832
Energy: 0.23943906385997898
Energy: 0.24252060620244179
Energy: 0.20645138870135182
Energy: 0.32452050713421027
Energy: 0.23927149560578306
Energy: 0.32452050713305197
Energy: 0.20732866479498907
Energy: 0.36352604322842474
Energy: 0.530019702685033
Energy: 0.36352604322842474
Energy: 0.5980546760421185
Energy: 0.4338039673691908
Energy: 0.46653353338297665
Energy: 0.43380396736803256
Energy: 0.3608216641971772
Energy: 0.1917446929625241
Energy: 0.29732997333380057
Energy: 0.19174469296368235

minimum gb energy = 0.1751219977703179 eV
minimum distance =  2.54861660180002 Angstroms
sigma value = 53


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

Energy: 0.5038029226527853
Energy: 0.5007254918653069
Energy: 0.7083771552079265
Energy: 0.5007254918653069
Energy: 0.4569587600979363
Energy: 0.5381805391875604
Energy: 0.4984312237569811
Energy: 0.5381805391875604
Energy: 0.45600050065174014
Energy: 0.30958125778048123
Energy: 0.3102517541419298
Energy: 0.3095812577831477
Energy: 0.3104553057583592
Energy: 0.30960470916004473
Energy: 0.45715911400247317
Energy: 0.30960470916004473
Energy: 0.49843736272574163
Energy: 0.538200745617229
Energy: 0.45697748672361793
Energy: 0.538200745617229
Energy: 1.3386983726401174
Energy: 0.5007254918653069
Energy: 0.5038029226554518
Energy: 0.5007254918653069
Energy: 0.49843122375964766
Energy: 0.5381805391875604
Energy: 0.4569587601006028
Energy: 0.5381805391875604
Energy: 0.3102517541419298
Energy: 0.3095812577858143
Energy: 0.4560005013127382
Energy: 0.3095812577831477
Energy: 0.45715911399714015
Energy: 0.30960470915737826
Energy: 0.3104553057583592
Energy: 0.3096047091627114
Energy: 0.45697748672361793
Energy: 0.538200745617229
Energy: 0.49843736272574163
Energy: 0.538200745617229
Energy: 0.5038029226554518
Energy: 0.5007254918653069
Energy: 0.7083771554237948
Energy: 0.5007254918653069
Energy: 0.4569587600979363
Energy: 0.5381805391875604
Energy: 0.49843122375964766
Energy: 0.5381805391875604
Energy: 0.4560005005051412
Energy: 0.30958125778048123
Energy: 0.3102517541419298
Energy: 0.3095812577831477

minimum gb energy = 0.30958125778048123 eV
minimum distance =  2.57189536151939 Angstroms
sigma value = 9


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

Energy: 0.23793354853023307
Energy: 0.44633432914392435
Energy: 0.6035686367563543
Energy: 0.44633432914589816
Energy: 0.4891182542773804
Energy: 0.1950585214470357
Energy: 0.3281931864459186
Energy: 0.1950585214470357
Energy: 0.10976271895032987
Energy: 0.06254827196387493
Energy: 0.061000126234970684
Energy: 0.062548271962888
Energy: 0.11975038046516624
Energy: 0.04324130068772059
Energy: 0.10985488243664528
Energy: 0.04324130068772059
Energy: 0.18944729270480143
Energy: 0.20211039458114693
Energy: 0.5270612679402455
Energy: 0.20211039458114693
Energy: 0.29317053525033043
Energy: 0.20236853637714433
Energy: 0.20206693242451315
Energy: 0.20236853637418356
Energy: 0.2579394615624688
Energy: 0.18249721782937883
Energy: 0.4323828061166051
Energy: 0.18249721783036577
Energy: 0.08764212745783256
Energy: 0.03618336070421056
Energy: 0.04027075534976646
Energy: 0.03618336070322362
Energy: 0.3288514955061141
Energy: 0.0619389101281134
Energy: 0.10123511209458781
Energy: 0.06193891013008726
Energy: 0.17564421620176277
Energy: 0.213656349163068
Energy: 0.17640237062232458
Energy: 0.213656349162081
Energy: 0.08486850064537356
Energy: 0.17722899108045845
Energy: 0.1774200040459195
Energy: 0.17722899108045845
Energy: 0.5307297427005411
Energy: 0.25830513687953505
Energy: 0.07299691007779928
Energy: 0.2583051368785481
Energy: 0.09335672188783317
Energy: 0.0657913774476344
Energy: 0.05496568082083765
Energy: 0.0657913774476344
Energy: 0.21394997683320766
Energy: 0.0428822137396888
Energy: 0.3500411775540127
Energy: 0.04288221374462345
Energy: 0.1892334243413973
Energy: 0.39802754974769294
Energy: 0.05568754562107668
Energy: 0.39802754974769294
Energy: 0.5582813539098409
Energy: 0.056486652581472084
Energy: 0.05507250359957002
Energy: 0.056486652581472084
Energy: 0.17658374160203408
Energy: 0.2441201696601706
Energy: 0.5534474251549601
Energy: 0.24412016966214448
Energy: 0.08482650430579448
Energy: 0.38348481127132633
Energy: 0.1761418991673818
Energy: 0.38348481127330014
Energy: 0.457818663212343
Energy: 0.14042793408654863
Energy: 0.08474021972124521
Energy: 0.14042793408753557
Energy: 0.036757421152345426
Energy: 0.15169462273552642
Energy: 0.10095746861859409
Energy: 0.15169462277199797
Energy: 0.08554294506017689
Energy: 0.03775606887764892
Energy: 0.5150174427638061
Energy: 0.03775606887666199
Energy: 0.5251362604563766
Energy: 0.27962065449944173
Energy: 0.20839590962731613
Energy: 0.2796206544984548
Energy: 0.2956143567767629
Energy: 0.3852575671347289
Energy: 0.20198872718643116
Energy: 0.38525756713374193
Energy: 0.1014347836910036
Energy: 0.23642754118837642
Energy: 0.46420438726406044
Energy: 0.23642754118640255
Energy: 0.11967451854262236
Energy: 0.31302602263935375
Energy: 0.0603405321825032
Energy: 0.3130260226403407
Energy: 0.5551590482814647
Energy: 0.023361143095004644
Energy: 0.038224528016724754
Energy: 0.023361143095991573
Energy: 0.3286813512351106
Energy: 0.20672337461252654
Energy: 0.5461362327635328
Energy: 0.20672337460857884
Energy: 0.2337585335269662
Energy: 0.24640945981926918
Energy: 0.5460195784608447
Energy: 0.24640945981630835
Energy: 0.4951575793161688
Energy: 0.19977145208118013
Energy: 0.037683087847308554
Energy: 0.1997714520801932
Energy: 0.11953705334025018
Energy: 0.40950270551148327
Energy: 0.06095942999728581
Energy: 0.40950270551247014
Energy: 0.12634258752091948
Energy: 0.0820350711479925
Energy: 0.5082641357890504
Energy: 0.08203507114601866
Energy: 0.29585348734152483
Energy: 0.2428191469385939
Energy: 0.20256248643210253
Energy: 0.24281914693958087
Energy: 0.5618486023019937
Energy: 0.24440829659971397
Energy: 0.20419493727384175
Energy: 0.24440829659675314
Energy: 0.047647689751431986
Energy: 0.03845985602027452
Energy: 0.5154230943005634
Energy: 0.03845985602126144
Energy: 0.03659503756458823
Energy: 0.37722581975001834
Energy: 0.10091683534472635
Energy: 0.37722581975001834

minimum gb energy = 0.023361143095004644 eV
minimum distance =  2.52083528228365 Angstroms
sigma value = 73


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

Energy: 0.635776256012473
Energy: 0.635958801741881
Energy: 0.8154574938456142
Energy: 0.635958801741881
Energy: 0.7848027804399995
Energy: 0.5252597119595176
Energy: 0.5336804244137364
Energy: 0.5252597119501226
Energy: 0.4574344883132124
Energy: 0.3914745112688263
Energy: 0.4942516888445949
Energy: 0.39147451127039223
Energy: 0.4569185252059134
Energy: 0.40559593664042354
Energy: 0.6004002168041903
Energy: 0.4055959366388577
Energy: 0.6078912528555012
Energy: 0.5487489295475471
Energy: 0.588273207326433
Energy: 0.5487489295459812
Energy: 0.6066957254170243
Energy: 0.58903230852628
Energy: 0.45882979654356193
Energy: 0.5890323085278457
Energy: 0.5323226974889536
Energy: 0.5963201021590863
Energy: 0.7569492413634816
Energy: 0.5963201021622179
Energy: 0.40535660160671944
Energy: 0.4054729186518685
Energy: 0.45892622449723947
Energy: 0.4054729186503027
Energy: 0.8577391474362484
Energy: 0.392470521514966
Energy: 0.625805072831851
Energy: 0.392470521514966
Energy: 0.4063065902423771
Energy: 0.5143775099942817
Energy: 0.6250304810991176
Energy: 0.5143775099927158
Energy: 0.4054870685625484
Energy: 0.406442085474537
Energy: 0.4588638379974341
Energy: 0.406442085474537
Energy: 0.9477699325499522
Energy: 0.7955107761784825
Energy: 0.5875481231497283
Energy: 0.7955107761784825
Energy: 0.6093095121490241
Energy: 0.588487911431489
Energy: 0.4592834965301573
Energy: 0.5884879114299232
Energy: 0.5527213510158488
Energy: 0.4580895949620745
Energy: 0.9379838188237322
Energy: 0.45808959496050866
Energy: 0.457469414611262
Energy: 0.530844503019608
Energy: 0.4325957299237639
Energy: 0.530844503019608
Energy: 0.6845583706343455
Energy: 0.3928936802223478
Energy: 0.5143768430507578
Energy: 0.3928936802207819
Energy: 0.6303041337072034
Energy: 0.6991231372380078
Energy: 1.0138879967342729
Energy: 0.6991231372380078
Energy: 0.6301010497184429
Energy: 0.6981693206372933
Energy: 1.0141454989140786
Energy: 0.6981693206372933
Energy: 0.9566140353714943
Energy: 0.3925512524124214
Energy: 0.5244144307288171
Energy: 0.3925512524124214
Energy: 0.45816449213241756
Energy: 0.8123406826800069
Energy: 0.49464270392006976
Energy: 0.8123406826800069
Energy: 0.5680104037082835
Energy: 0.5362132244919524
Energy: 0.9373903890673742
Energy: 0.5362132244919524
Energy: 0.6090681332105423
Energy: 0.7916356427589767
Energy: 0.4596534370322862
Energy: 0.7916356427589767

minimum gb energy = 0.3914745112688263 eV
minimum distance =  2.47887106790775 Angstroms
sigma value = 7


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

Energy: 0.608061132494771
Energy: 0.6092479783144705
Energy: 0.6076201879233519
Energy: 0.6092479783155776
Energy: 0.6256625262328592
Energy: 0.2604650727519596
Energy: 0.2472141243920901
Energy: 0.2604650727519596
Energy: 0.3264576984809234
Energy: 0.3700944012088886
Energy: 0.2918355828293251
Energy: 0.37009440120999576
Energy: 0.32467955691602035
Energy: 0.20754604522939885
Energy: 0.3178089151931329
Energy: 0.2075460452271844
Energy: 0.42660692037403036
Energy: 0.35686048338054727
Energy: 0.21171804935476482
Energy: 0.35686048337944
Energy: 0.42991382276536116
Energy: 0.20801692604998034
Energy: 0.20874451874943
Energy: 0.20801692605108757
Energy: 0.20987982556817747
Energy: 0.2947305767093102
Energy: 0.7893136280559567
Energy: 0.2947305767059885
Energy: 0.20876165922570486
Energy: 0.20913596250936958
Energy: 0.42780581729259654
Energy: 0.20913596250826236
Energy: 0.7024093137900654
Energy: 0.3170042140597829
Energy: 0.3128523137799945
Energy: 0.3170042140597829
Energy: 0.2933884260840378
Energy: 0.3360372774973933
Energy: 0.3245491527680387
Energy: 0.3360372774973933
Energy: 0.2929271854592343
Energy: 0.25847463220459427
Energy: 0.4431542668133619
Energy: 0.25847463220459427
Energy: 0.8978222522810158
Energy: 0.33593848989969227
Energy: 0.5942622435573965
Energy: 0.33593848989858505
Energy: 0.8980570278579264
Energy: 0.3326695547723417
Energy: 0.5960495642432408
Energy: 0.3326695547712345
Energy: 0.29355768990576697
Energy: 0.34397523412817693
Energy: 0.6573428946893405
Energy: 0.34397523412817693
Energy: 0.2928813521877947
Energy: 0.37700156729434897
Energy: 0.3232661728395012
Energy: 0.37700156729545625
Energy: 0.7031090572387625
Energy: 0.21974272303456893
Energy: 0.2480156164460422
Energy: 0.21974272303567616
Energy: 0.2093449573901327
Energy: 0.21086069784014372
Energy: 0.42751060218482345
Energy: 0.21086069784014372
Energy: 0.1689114548892668
Energy: 0.44308737187695246
Energy: 0.789833924879662
Energy: 0.4430873718780597
Energy: 0.7309252943175026
Energy: 0.21022799573151707
Energy: 0.20930966597757072
Energy: 0.21022799573151707
Energy: 0.42688378867694105
Energy: 0.48488376564954977
Energy: 0.20930814358306357
Energy: 0.4848837656484425
Energy: 0.3236429543827732
Energy: 0.3226111029014309
Energy: 0.3689843360856207
Energy: 0.3226111029014309
Energy: 0.32492998208877233
Energy: 0.3711391237325298
Energy: 0.2921703379650475
Energy: 0.37113912373363694
Energy: 0.6239523948218532
Energy: 0.364064548661689
Energy: 0.24564228007169348
Energy: 0.364064548661689
Energy: 0.6080050915075373
Energy: 0.5851071763145788
Energy: 0.8988320717992339
Energy: 0.5851071763145788
Energy: 0.5944892863270211
Energy: 0.3338885022752186
Energy: 0.3860644656282796
Energy: 0.3338885022752186
Energy: 0.4420259289562793
Energy: 0.33090344962311996
Energy: 0.29214951899194386
Energy: 0.33090344962311996
Energy: 0.3273622737384448
Energy: 0.20574448084922878
Energy: 0.2945355662463235
Energy: 0.20574448084812155
Energy: 0.42686314319667146
Energy: 0.31562894786513196
Energy: 0.7011255957505986
Energy: 0.31562894786513196
Energy: 0.42883453813719186
Energy: 0.20683393310305173
Energy: 0.2069044235163951
Energy: 0.2068339331019445
Energy: 0.8128092548653497
Energy: 0.30250906828075685
Energy: 0.8127998343870433
Energy: 0.30250906828075685
Energy: 0.20690586318190402
Energy: 0.20679990192665823
Energy: 0.4288345381394063
Energy: 0.20679990192555098

minimum gb energy = 0.1689114548892668 eV
minimum distance =  2.53926903209969 Angstroms
sigma value = 29


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

Energy: 0.22047933294425295
Energy: 0.20970880386940602
Energy: 0.7232571318324856
Energy: 0.20970880386940602
Energy: 0.8654881568312166
Energy: 0.3032382988104108
Energy: 0.2584998804923363
Energy: 0.30323829881079656
Energy: 0.7100476553755247
Energy: 0.1618576898880807
Energy: 0.1616429788806992
Energy: 0.16185768988846636
Energy: 1.0367617785287835
Energy: 0.21081347427833358
Energy: 0.16263835460045964
Energy: 0.21081347427833358
Energy: 1.13975881456444
Energy: 0.16182550064741077
Energy: 0.16109788916639767
Energy: 0.16182550064702508
Energy: 0.44317292758739085
Energy: 0.1614655776891742
Energy: 0.16229675318426806
Energy: 0.16146557768955985
Energy: 0.43003056308235643
Energy: 0.16164550811463935
Energy: 0.6331921086049012
Energy: 0.16164550811425366
Energy: 0.22254405242496744
Energy: 0.1615104803381822
Energy: 0.8495134546948881
Energy: 0.16151048033741083
Energy: 0.8690345713429941
Energy: 0.16254725814716298
Energy: 0.1610546717114457
Energy: 0.16254725814793433

minimum gb energy = 0.1610546717114457 eV
minimum distance =  2.57708373805296 Angstroms
sigma value = 5


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

Energy: 0.11818877986546113
Energy: -0.09031656374077605
Energy: 0.815285996196817
Energy: -0.09031656374182194
Energy: 0.31657940919787475
Energy: 0.20317210857475868
Energy: 0.14948294182855174
Energy: 0.20317210857371282
Energy: -0.001443435461344802
Energy: 0.010211298661097386
Energy: -0.1893945625209939
Energy: 0.010211298659005583
Energy: -0.0020909137999473096
Energy: -0.08382537241073423
Energy: 0.0025315766148051545
Energy: -0.08382537240968832
Energy: -0.032383502765322494
Energy: -0.172486586900127
Energy: -0.10946234603682609
Energy: -0.17248658689908108
Energy: 0.08960847592940983
Energy: -0.04865293509307821
Energy: -0.11615585800624435
Energy: -0.04865293509412412
Energy: -0.033505432645844185
Energy: -0.1927492701252159
Energy: 0.27254537178280075
Energy: -0.19274927012416998
Energy: -0.03339355162503456
Energy: -0.19406749664416592
Energy: 0.2754855928556296
Energy: -0.1940674966452118
Energy: 0.3406515900864102
Energy: -0.11460172244798682
Energy: 0.03458211401423351
Energy: -0.11460172244903273
Energy: 0.44331973523040563
Energy: -0.11449222870440884
Energy: 0.03334981854804091
Energy: -0.11449222870336294
Energy: -0.1674859700221549
Energy: -0.16717600379680372
Energy: 0.026710605580983225
Energy: -0.16717600379680372
Energy: -0.16848226668737215
Energy: -0.16885556222311598
Energy: -0.0235532634252615
Energy: -0.1688555622220701
Energy: 0.40123019008932465
Energy: 0.028595934973005926
Energy: -0.024701747385657807
Energy: 0.028595934973005926
Energy: -0.11411552319854631
Energy: -0.16986906502261007
Energy: -0.023607656388775735
Energy: -0.16986906502156415
Energy: -0.07266727392478857
Energy: 0.23892962947731777
Energy: 0.3232704754751158
Energy: 0.23892962947731777
Energy: 0.7251347505659113
Energy: -0.10041907655732858
Energy: 0.03165156779572689
Energy: -0.10041907655628268
Energy: 0.4286922314755552
Energy: -0.046054517089366004
Energy: 0.22088364307584343
Energy: -0.046054517087274205
Energy: -0.1206356861131116
Energy: 0.04999437340318182
Energy: 0.2765238907472726
Energy: 0.049994373401090024
Energy: -0.03224330606700735
Energy: -0.10465480381707422
Energy: 0.043324601261171936
Energy: -0.104654803819166
Energy: -0.09263405514527626
Energy: 0.08880664670241532
Energy: -0.11288126457613826
Energy: 0.08880664670241532
Energy: -0.09308768581562643
Energy: -0.08570866412290191
Energy: -0.04780202919322218
Energy: -0.08570866412290191
Energy: 0.287673226206337
Energy: -0.1707137817823744
Energy: -0.19473902346530036
Energy: -0.1707137817834203
Energy: -0.0011767071824664193
Energy: 0.08197306441622353
Energy: -0.18848991776692653
Energy: 0.08197306441936124
Energy: 0.29820703775645235
Energy: -0.10682055118460922
Energy: 0.47855748412277227
Energy: -0.10682055118460922
Energy: 0.30263204393930654
Energy: -0.10668028830971138
Energy: 0.7239099428403987
Energy: -0.1066802883086655
Energy: 0.3739439590768003
Energy: -0.17085462377941096
Energy: -0.19536072904793356
Energy: -0.17085462377941096
Energy: 0.1247347625089184
Energy: -0.16908104583879519
Energy: -0.1876628398929514
Energy: -0.16908104583879519
Energy: -0.09269870403286316
Energy: 0.11203244590649472
Energy: 0.46966735199079995
Energy: 0.11203244590754063
Energy: -0.09301305001484901
Energy: -0.16967532196502594
Energy: -0.11018802091938928
Energy: -0.16967532196607185
Energy: 0.41426911109280184
Energy: 0.2832687349460565
Energy: 0.13508330265768503
Energy: 0.2832687349450106
Energy: -0.0815789954567204
Energy: -0.029382110888808387
Energy: 0.27519701256245466
Energy: -0.029382110888808387
Energy: -0.031353598610707675
Energy: -0.07079531341010571
Energy: 0.4174487396780295
Energy: -0.07079531341010571
Energy: 0.7166515125910219
Energy: -0.10001882874779089
Energy: 0.03204365955198318
Energy: -0.10001882874674498

minimum gb energy = -0.19536072904793356 eV
minimum distance =  2.50772101293195 Angstroms
sigma value = 1


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

Energy: 0.33085931355489495
Energy: 0.245369202336582
Energy: 0.9254837773267401
Energy: 0.24536920233802811
Energy: 0.2210430028821121
Energy: 0.2501252025512355
Energy: 0.40002669638462307
Energy: 0.25012520254978937
Energy: 0.29504040435995166
Energy: 0.2437291158886628
Energy: 0.2853850730051292
Energy: 0.2437291158886628
Energy: 0.2612619350818602
Energy: 0.1192954942583158
Energy: 0.30413230655515894
Energy: 0.1192954942583158
Energy: 0.16517433789208844
Energy: 0.25601445036830467
Energy: 0.16497434773780048
Energy: 0.25601445036830467
Energy: 0.16560994000155516
Energy: 0.1649893081098915
Energy: 0.16498532612883895
Energy: 0.1649893081098915
Energy: 0.2857151861296438
Energy: 0.23557125487848016
Energy: 0.46328974265170264
Energy: 0.23557125487848016
Energy: 0.28543556296740374
Energy: 0.12081091106431632
Energy: 0.5962188870156784
Energy: 0.12081091106576244
Energy: 0.4982182658989973
Energy: 0.25545756593926644
Energy: 0.1535933511548504
Energy: 0.2554575659407126
Energy: 0.4982182658989973
Energy: 0.26303093651400916
Energy: 0.1525377246846819
Energy: 0.26303093651400916
Energy: 0.28565385085832834
Energy: 0.23573498769445386
Energy: 0.5962188870142323
Energy: 0.23573498769445386
Energy: 0.285424268492398
Energy: 0.12122644727695556
Energy: 0.46328974265170264
Energy: 0.12122644727695556
Energy: 0.1651710628440925
Energy: 0.15107159467764705
Energy: 0.16489721625678966
Energy: 0.15107159467620093
Energy: 0.1650622193626561
Energy: 0.25235188326724356
Energy: 0.1648330842387426
Energy: 0.2523518832701358
Energy: 0.24396571618648347
Energy: 0.23573842578220203
Energy: 0.30436728030171006
Energy: 0.23573842578220203
Energy: 0.29504040435995166
Energy: 0.23581610383353876
Energy: 0.2854514877751324
Energy: 0.2358161038321255
Energy: 0.3563353488707759
Energy: 0.23008146968372795
Energy: 0.2329145476376936
Energy: 0.2300814696851741
Energy: 0.33085931355489495
Energy: 0.245369202336582
Energy: 0.925483777357076
Energy: 0.245369202336582
Energy: 0.2210430028821121
Energy: 0.2501252025512355
Energy: 0.40002669638606914
Energy: 0.2501252025512355
Energy: 0.2950404043585055
Energy: 0.24372911588721669
Energy: 0.2853850730051292
Energy: 0.2437291158886628
Energy: 0.2612619350818602
Energy: 0.11929549425976192
Energy: 0.304132306556605
Energy: 0.11929549425976192
Energy: 0.16517433789208844
Energy: 0.25601445036830467
Energy: 0.1649743477392466
Energy: 0.25601445036830467
Energy: 0.16560994000010903
Energy: 0.1649893081084454
Energy: 0.16498532613028513
Energy: 0.1649893081084454
Energy: 0.2857151861296438
Energy: 0.23557125487848016
Energy: 0.4632897426531487
Energy: 0.23557125487848016

minimum gb energy = 0.1192954942583158 eV
minimum distance =  2.48908582075349 Angstroms
sigma value = 17


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

Energy: 0.030237225358326528
Energy: -0.400424353846095
Energy: 0.5700527822949087
Energy: -0.4004243538452012
Energy: 0.08774527662990013
Energy: -0.1745508316557623
Energy: 0.017828035079057093
Energy: -0.17455083165308086
Energy: -0.11785810877544681
Energy: -0.09394086542856914
Energy: -0.2913921141481273
Energy: -0.09394086543303826
Energy: -0.12119611106733823
Energy: -0.07039531648699655
Energy: 0.07414287394571165
Energy: -0.07039531648610274
Energy: -0.17902858502414487
Energy: -0.20080813930986385
Energy: -0.22658051267171023
Energy: -0.20080813930897004
Energy: -0.2432469785556798
Energy: -0.2293014839257948
Energy: -0.2032036286864703
Energy: -0.2293014839257948
Energy: -0.2002294392513486
Energy: -0.08332237343433695
Energy: -0.06590752808816198
Energy: -0.08332237343523076
Energy: -0.19194975623898305
Energy: -0.06631110269234643
Energy: -0.1545353447121368
Energy: -0.06631110269055877
Energy: 0.3411812195486103
Energy: -0.25880629222493434
Energy: 0.13129102313658866
Energy: -0.2588062922258282
Energy: -0.21960566170255677
Energy: -0.2574786830114768
Energy: 0.13343819661353434
Energy: -0.25747868301237065
Energy: -0.18511047364905714
Energy: -0.12843507234278104
Energy: -0.15375412297323612
Energy: -0.1284350723418872
Energy: -0.1841869078158984
Energy: -0.12036720148334748
Energy: 0.04934570382711166
Energy: -0.12036720148513515
Energy: -0.22132438468107937
Energy: -0.21297049738634655
Energy: -0.21606323577612735
Energy: -0.21297049738545273
Energy: -0.10847540974641437
Energy: -0.07164681642696008
Energy: -0.21870462025069198
Energy: -0.07164681642696008
Energy: -0.1006049936100794
Energy: -0.24209284422024577
Energy: -0.21683250731879364
Energy: -0.24209284422024577
Energy: -0.15034657441004368
Energy: -0.20499559219199684
Energy: -0.17354772220167547
Energy: -0.20499559219289062
Energy: 0.14379162335825485
Energy: -0.10158078362703779
Energy: -0.07485786500128366
Energy: -0.10158078362525012
Energy: -0.1836339216092189
Energy: -0.1904780776044429
Energy: 0.1316715714053873
Energy: -0.19047807760533672
Energy: 0.014154410983977059
Energy: -0.2742746492195523
Energy: 0.01686415025602371
Energy: -0.2742746492177647
Energy: 0.3967781997418601
Energy: -0.30799212494616024
Energy: -0.2882123836475813
Energy: -0.30799212494437256
Energy: 0.013115684941364752
Energy: 0.02419417439675792
Energy: 0.07167214936342002
Energy: 0.024194174394076447
Energy: -0.19658572523220033
Energy: -0.1973678498768786
Energy: -0.06627929715898964
Energy: -0.1973678498733033
Energy: -0.04261435331030099
Energy: -0.08105335262113804
Energy: -0.13163888159243173
Energy: -0.08105335261935039
Energy: -0.17350802704131021
Energy: -0.21931707911235684
Energy: -0.1373345871926422
Energy: -0.21931707911146303
Energy: -0.15879763390024798
Energy: -0.24160563758195336
Energy: -0.28818510979301726
Energy: -0.24160563758463485
Energy: -0.12688090622018064
Energy: -0.08194449010145309
Energy: -0.2947060712117142
Energy: -0.08194449010502838
Energy: -0.017016885105353853
Energy: -0.0848334461290408
Energy: -0.10462544953259574
Energy: -0.08483344613082845
Energy: -0.013850553165170029
Energy: -0.03226458152742912
Energy: -0.09901364326921518
Energy: -0.03226458153189824
Energy: -0.008398828166285514
Energy: -0.031522379363982035
Energy: -0.2889794159166353
Energy: -0.03152237936934499
Energy: -0.11887452213291716
Energy: -0.08753765863055876
Energy: -0.29447422390532607
Energy: -0.08753765863055876
Energy: -0.12701468104764016
Energy: -0.0854622232607873
Energy: -0.10581508912526807
Energy: -0.08546222325899963
Energy: -0.1363546865552552
Energy: -0.24313821934984017
Energy: -0.22739907234567616
Energy: -0.24313821935073401
Energy: -0.18243024165664512
Energy: -0.20458607445556454
Energy: -0.13521603373531296
Energy: -0.20458607445467072
Energy: -0.0915202885772005
Energy: -0.2058532484084575
Energy: -0.12169789998100312
Energy: -0.20585324841113894
Energy: -0.19575835686508936
Energy: -0.19821451447957703
Energy: -0.12319559767771374
Energy: -0.1982145144804708
Energy: -0.031046842968650755
Energy: -0.1007210496263073
Energy: 0.10700951493416903
Energy: -0.10072104962720113
Energy: 0.3980001135331693
Energy: -0.3074498016296998
Energy: -0.2904127919934926
Energy: -0.30744980163238134
Energy: 0.1584256500884935
Energy: -0.22131107556563884
Energy: 0.04821681542457746
Energy: -0.22131107556563884

minimum gb energy = -0.400424353846095 eV
minimum distance =  2.51332933167495 Angstroms
sigma value = 89


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

Energy: 0.425622698765304
Energy: 0.15054246751217631
Energy: 0.8562045245888373
Energy: 0.15054246751145878
Energy: 0.35371806627471397
Energy: 0.5763177980486445
Energy: 0.3180018905189198
Energy: 0.5763177980486445
Energy: 0.3774934281820465
Energy: 0.14526824409499514
Energy: 0.14594567960482063
Energy: 0.14526824409499514
Energy: 0.253646005706309
Energy: 0.21916371140988
Energy: 0.5214708283062608
Energy: 0.21916371140988
Energy: 0.22201737655245254
Energy: 0.2232828381262653
Energy: 0.3834912079067003
Energy: 0.2232828381262653
Energy: 0.21988396772304594
Energy: 0.4691027740060554
Energy: 0.38443378337518197
Energy: 0.4691027740060554
Energy: 0.22058014693463407
Energy: 0.1443424103434621
Energy: 0.38369983028907867
Energy: 0.14434241034298376
Energy: 0.21890694506793787
Energy: 0.21871256982759082
Energy: 0.6865026889293155
Energy: 0.21871256982759082
Energy: 0.3749776466084834
Energy: 0.22253452977856786
Energy: 0.14265255046146705
Energy: 0.22253452977622917
Energy: 0.21761518780892478
Energy: 0.21885160708585535
Energy: 0.14215794115466682
Energy: 0.21885160708585535
Energy: 0.4083008012619215
Energy: 0.14192017752118483
Energy: 0.6875495368947255
Energy: 0.14192017752094563
Energy: 0.39990342374968446
Energy: 0.14546313422728027
Energy: 0.6861228704276796
Energy: 0.14546313422751944
Energy: 0.3763051927663512
Energy: 0.22538958495534397
Energy: 0.1423174980391131
Energy: 0.22538958495534397
Energy: 0.377676547026449
Energy: 0.21855588510283602
Energy: 0.1421660975628607
Energy: 0.21855588510283602
Energy: 0.2199488974374998
Energy: 0.21858416890086022
Energy: 0.47052692241070426
Energy: 0.21858416890086022

minimum gb energy = 0.14192017752094563 eV
minimum distance =  2.51184817323606 Angstroms
sigma value = 13


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

Energy: 0.14730849622410064
Energy: -0.003618920547365768
Energy: 0.45973390375336926
Energy: -0.003618920549326245
Energy: -0.0037826027195662186
Energy: 0.01651055171051084
Energy: -0.1598173078745965
Energy: 0.016510551711491076
Energy: 0.18674187834939704
Energy: 0.08393832933221028
Energy: 0.0566134275149924
Energy: 0.08393832933221028
Energy: 0.0012104719789617752
Energy: -0.027944436552380627
Energy: -0.1777374431128344
Energy: -0.027944436526894427
Energy: -0.006543368354678348
Energy: 0.2998793496546678
Energy: -0.011244441515195889
Energy: 0.29987934965564805
Energy: 0.03402968017081995
Energy: 0.14453142547058892
Energy: -0.056507681324455765
Energy: 0.1445314254686284
Energy: -0.2652587516255557
Energy: 0.16458292315725906
Energy: -0.26460527774427794
Energy: 0.1645829231582393
Energy: -0.26474355158100193
Energy: -0.256006198391829
Energy: -0.2641065153067031
Energy: -0.25600619839084876
Energy: -0.008954137546291605
Energy: 0.34733602807700376
Energy: -0.0028030293698414386
Energy: 0.34733602807700376
Energy: 0.1695675723779601
Energy: 0.25996201260741775
Energy: 0.18835973576279402
Energy: 0.25996201260839796
Energy: 0.10300114140880011
Energy: 0.15874207513970817
Energy: 0.025560795214262633
Energy: 0.15874207514166866
Energy: 0.04672439935484549
Energy: 0.23197127145058444
Energy: -0.26240680228029534
Energy: 0.23197127145058444
Energy: 0.01062614699996093
Energy: -0.007074934014204352
Energy: 0.1431275947935062
Energy: -0.00707493401518459
Energy: 0.030669258030523023
Energy: -0.1281310069130281
Energy: 0.19958630178899092
Energy: -0.12813100691204787
Energy: 0.10272453753774889
Energy: 0.15987647376278777
Energy: 0.0863394953944199
Energy: 0.15987647376180752
Energy: 0.12161495994169762
Energy: 0.10754311220981067
Energy: 0.1878119850119886
Energy: 0.10754311221177114
Energy: -0.15927879412812954
Energy: 0.34741843761895863
Energy: -0.0038220341564776995
Energy: 0.3474184376199389
Energy: -0.01050337577946726
Energy: 0.24374151198493516
Energy: 0.15997752891275457
Energy: 0.24374151198493516
Energy: -0.2653464655174621
Energy: 0.0649277355134837
Energy: -0.2647890440757012
Energy: 0.0649277355134837
Energy: -0.2648612310926151
Energy: 0.06543537751769486
Energy: -0.2652534613250497
Energy: 0.0654353775186751
Energy: 0.16000649374579295
Energy: 0.2437779160013333
Energy: -0.01058693239174351
Energy: 0.24377791599741236
Energy: -0.0038797205128977266
Energy: 0.3471031084806801
Energy: -0.15912871913382567
Energy: 0.3471031084796999
Energy: 0.1878119850119886
Energy: 0.10935252544298792
Energy: 0.120222059847012
Energy: 0.10935252544298792
Energy: 0.08633949539540015
Energy: 0.1597676172077054
Energy: 0.10295545779759521
Energy: 0.15976761720868562
Energy: 0.19975841304170638
Energy: -0.12824381776674107
Energy: 0.030635959509247114
Energy: -0.1282438177677213
Energy: 0.14308641239439882
Energy: -0.007336477681724757
Energy: 0.010626147002901645
Energy: -0.007336477680744519
Energy: -0.26215103347494034
Energy: 0.23200321355286618
Energy: 0.15394771812471225
Energy: 0.2320032135538464
Energy: 0.02556079521622311
Energy: 0.15869304012627064
Energy: 0.10304878605402246
Energy: 0.1586930401252904
Energy: 0.18838892843144547
Energy: 0.25852462553034156
Energy: 0.16956282662854638
Energy: 0.2585246255342625
Energy: -0.0028227786480293595
Energy: 0.34739880061153167
Energy: -0.008229989574009899
Energy: 0.34739880061153167
Energy: -0.26408222535094955
Energy: -0.25630892953194806
Energy: -0.2647598670907753
Energy: -0.25630892953194806
Energy: -0.26457298076801855
Energy: 0.16430729711702913
Energy: -0.26528083088168003
Energy: 0.1643072971189896
Energy: -0.05655555252665925
Energy: 0.08048588180998137
Energy: 0.03403463967605854
Energy: 0.08048588181194184
Energy: -0.01135935801799059
Energy: 0.2999020841414511
Energy: -0.006556923947884492
Energy: 0.2999020841414511
Energy: -0.17776781524213714
Energy: -0.02840442301396982
Energy: 0.00088268460549694
Energy: -0.028404423012009336

minimum gb energy = -0.2653464655174621 eV
minimum distance =  2.4951800790364 Angstroms
sigma value = 37


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

Energy: 0.42444029110951753
Energy: 0.2606823768562393
Energy: 0.8409808471678784
Energy: 0.2606823768528664
Energy: 0.3504625517405529
Energy: 0.442141692808084
Energy: 0.3265394398680915
Energy: 0.442141692808084
Energy: 0.5576885121935561
Energy: 0.4667874981968525
Energy: 0.45266365362412664
Energy: 0.46678749819853893
Energy: 0.3465366311502937
Energy: 0.5771857910588962
Energy: 0.4409863642984439
Energy: 0.5771857910588962
Energy: 0.42802134331410835
Energy: 0.4580008018460994
Energy: 0.4055808607086566
Energy: 0.4580008018460994
Energy: 0.47216504121315206
Energy: 0.40907743939630675
Energy: 0.4847576145280264
Energy: 0.40907743939630675
Energy: 0.25476292046966803
Energy: 0.43952941551654867
Energy: 0.36947436627361063
Energy: 0.4395294155182351
Energy: 0.25486761888987836
Energy: 0.5263429617748171
Energy: 0.3872826179757531
Energy: 0.5263429617748171
Energy: 0.2551080272997356
Energy: 0.4580677164408534
Energy: 0.4066381911777708
Energy: 0.4580677164408534
Energy: 0.4624626691887316
Energy: 0.4093747488210514
Energy: 0.40714094768273285
Energy: 0.4093747488210514
Energy: 0.4446929401632404
Energy: 0.44751314833647393
Energy: 0.40523384918000127
Energy: 0.44751314833647393
Energy: 0.4440803085152456
Energy: 0.4069688659086177
Energy: 0.36012364445053396
Energy: 0.4069688659086177
Energy: 0.5353046329090195
Energy: 0.4541628939575984
Energy: 0.6027272058339793
Energy: 0.45416289395591186
Energy: 0.337067732545099
Energy: 0.4514295336192185
Energy: 0.4759043537743752
Energy: 0.4514295336192185
Energy: 0.4512229870933301
Energy: 0.27848495347306695
Energy: 0.4055094377374199
Energy: 0.27848495347306695
Energy: 0.3560434063640918
Energy: 0.3427317514811061
Energy: 0.41948826407565465
Energy: 0.3427317514811061
Energy: 0.5608499722380408
Energy: 0.4263484094707941
Energy: 0.6021713920528498
Energy: 0.4263484094707941
Energy: 0.34761630452543985
Energy: 0.44386656279758396
Energy: 0.3515093859438522
Energy: 0.4438665627958975
Energy: 0.4448201997453514
Energy: 0.4286193114408894
Energy: 0.405644254492563
Energy: 0.4286193114408894
Energy: 0.4872010200953156
Energy: 0.42545116957148693
Energy: 0.405633054820123
Energy: 0.42545116957148693

minimum gb energy = 0.25476292046966803 eV
minimum distance =  2.49373605854174 Angstroms
sigma value = 25


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

Energy: 0.33211322339847
Energy: 0.15607249274658022
Energy: 0.6007201279502713
Energy: 0.15607249274658022
Energy: 0.1641866755293013
Energy: 0.5490824317000401
Energy: 0.17686046400664415
Energy: 0.5490824316987232
Energy: 0.3438034503322118
Energy: 0.22824183961292283
Energy: 0.3192940688841051
Energy: 0.22824183961423974
Energy: 0.20329910420400346
Energy: 0.21381614285346098
Energy: 0.23738571451139026
Energy: 0.21381614285214406
Energy: 0.20367676349968108
Energy: 0.2500464401115765
Energy: 0.23898291347675493
Energy: 0.2500464401102596
Energy: 0.20432233035290157
Energy: 0.18600986145793347
Energy: 0.2907803322350902
Energy: 0.18600986145793347
Energy: 0.13601536329258732
Energy: 0.3381477770704923
Energy: 0.26294369981830634
Energy: 0.33814777707180915
Energy: 0.24085131582354335
Energy: 0.36867430948785934
Energy: 0.23394347287138065
Energy: 0.36867430949049323
Energy: 0.23773333631183277
Energy: 0.33823932323598194
Energy: 0.22531567138336836
Energy: 0.33823932323598194
Energy: 0.2390007573008775
Energy: 0.448587691894245
Energy: 0.29257373162267425
Energy: 0.448587691894245
Energy: 0.23306363862543605
Energy: 0.3387911286658243
Energy: 0.22914032625706304
Energy: 0.3387911286658243
Energy: 0.24551858315992425
Energy: 0.350482172806155
Energy: 0.23402790423852526
Energy: 0.3504821728074719
Energy: 0.13403860562138775
Energy: 0.3413928052883239
Energy: 0.28390641398681216
Energy: 0.3413928052896408
Energy: 0.23812409041138147
Energy: 0.32931377619565927
Energy: 0.14970229142337907
Energy: 0.32931377619565927
Energy: 0.21663774214329054
Energy: 0.4313918690889379
Energy: 0.24269145672443415
Energy: 0.43139186909420557
Energy: 0.2284339695193923
Energy: 0.33761472267578274
Energy: 0.23733903371272042
Energy: 0.33761472267578274
Energy: 0.3476340897544082
Energy: 0.22968715015122643
Energy: 0.30975649156363466
Energy: 0.22968715015122643
Energy: 0.179392040214085
Energy: 0.14866708092761546
Energy: 0.21767313224725737
Energy: 0.14866708092761546
Energy: 0.27728907004393555
Energy: 0.0946557411642608
Energy: 0.271802132857847
Energy: 0.09465574116557772
Energy: 0.21042912610811737
Energy: 0.18687400738213547
Energy: 0.1486447540604798
Energy: 0.18687400738213547
Energy: 0.486197840094272
Energy: 0.23027369594698802
Energy: 0.25466136282520935
Energy: 0.23027369594698802
Energy: 0.2170654001390735
Energy: 0.2513433972408895
Energy: 0.2500148457910519
Energy: 0.2513433972408895
Energy: 0.18800807550671753
Energy: 0.346988781391142
Energy: 0.23851956765638077
Energy: 0.346988781391142
Energy: 0.2035739244543988
Energy: 0.3526549526895685
Energy: 0.2871322589195054
Energy: 0.3526549526895685
Energy: 0.13651616466169295
Energy: 0.398214189507693
Energy: 0.28414248585033663
Energy: 0.398214189507693
Energy: 0.2970636098918921
Energy: 0.3638153111680671
Energy: 0.19863115632945483
Energy: 0.3638153111680671

minimum gb energy = 0.0946557411642608 eV
minimum distance =  2.51086386571606 Angstroms
sigma value = 41


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

Energy: 0.030237551239150316
Energy: 0.037320747905665023
Energy: 0.2794362867243672
Energy: 0.03732074790782432
Energy: 0.033524124590903814
Energy: 0.07653856728228724
Energy: 0.06868958443294823
Energy: 0.07653856728120759
Energy: 0.11958227729514499
Energy: 0.02359134478992282
Energy: 0.2618267011387517
Energy: 0.02359134479856001
Energy: 0.005010924782798799
Energy: 0.02337093921997918
Energy: 0.027602300857633988
Energy: 0.02337093921889953
Energy: 0.22518958839727854
Energy: 0.11557180712561273
Energy: 0.05482994721678012
Energy: 0.11557180712561273
Energy: 0.025091493779867562
Energy: 0.15027509201360467
Energy: 0.03050519399036041
Energy: 0.15027509201252504
Energy: 0.10830152336140073
Energy: 0.16835738175990222
Energy: 0.0736580675015382
Energy: 0.16835738175990222
Energy: 0.03371811037573382
Energy: 0.16176751882797144
Energy: 0.018067719964206978
Energy: 0.16176751882689178
Energy: 0.08800312301466127
Energy: 0.13884126770618646
Energy: 0.03046642434761603
Energy: 0.13884126770618646
Energy: 0.01686386302591301
Energy: 0.1997901074954875
Energy: 0.01635248663805518
Energy: 0.19979010749656717
Energy: 0.06803015250243068
Energy: 0.0818902169520269
Energy: 0.07813294535716661
Energy: 0.08189021695310654
Energy: 0.03687649476593611
Energy: 0.20038146897322778
Energy: 0.021323900935889695
Energy: 0.20038146897430745
Energy: 0.06394693453183771
Energy: 0.08273735082754846
Energy: 0.1360764989207965
Energy: 0.08273735082538917
Energy: 0.010100215964490523
Energy: 0.21523585938935763
Energy: 0.01848743761357278
Energy: 0.21523585939043724
Energy: 0.21638005662605736
Energy: 0.13944226092701464
Energy: 0.02394110022402368
Energy: 0.13944226092809428
Energy: 0.028179286546907555
Energy: 0.17911919320642003
Energy: 0.04176163429787125
Energy: 0.17911919320857933
Energy: 0.11270464725954786
Energy: 0.07758113111844629
Energy: 0.03437224159443752
Energy: 0.07758113111628699
Energy: 0.026121966851479637
Energy: 0.13384357513894288
Energy: -0.0006213240424019263
Energy: 0.13384357513786324
Energy: 0.2182735752620557
Energy: 0.06427178625297478
Energy: 0.05382883486792804
Energy: 0.06427178625189514
Energy: -0.034594359940319654
Energy: 0.005721134623239052
Energy: 0.033957867060451036
Energy: 0.005721134623239052
Energy: 0.12597877434348848
Energy: -0.035775145685529
Energy: -0.039602751618045925
Energy: -0.03577514568660865
Energy: 0.001942955330662169
Energy: -0.02496723623138019
Energy: 0.017203814212099787
Energy: -0.024967236230300536
Energy: -0.02128484676838506
Energy: -0.06445912116996086
Energy: 0.06295387287145846
Energy: -0.06445912116996086
Energy: -0.03035511099990854
Energy: -0.018611940144914216
Energy: -0.025251640655804018
Energy: -0.018611940145993867
Energy: 0.23837541382192748
Energy: -0.0366648417469818
Energy: 0.054626796398632355
Energy: -0.03666484174914109
Energy: 0.005996059472687336
Energy: 0.013858175539001896
Energy: 0.030633744063893673
Energy: 0.013858175537922247
Energy: 0.18805655451435851
Energy: 0.11409505959010255
Energy: 0.057795744840405665
Energy: 0.1140950595890229
Energy: -0.04110958697734999
Energy: 0.034257075908792296
Energy: 0.10759697640801451
Energy: 0.03425707590987195
Energy: 0.09176589095087316
Energy: 0.2946556052829505
Energy: 0.03302806457585038
Energy: 0.2946556052807912
Energy: 0.036362450853639004
Energy: 0.15060199083102044
Energy: 0.012879598454259322
Energy: 0.15060199083210007
Energy: 0.2162750848399022
Energy: 0.13560810087053338
Energy: 0.03003340016204948
Energy: 0.13560810087377229
Energy: 0.01196796757701695
Energy: 0.15733638484319476
Energy: 0.009383117502536025
Energy: 0.1573363848442744

minimum gb energy = -0.06445912116996086 eV
minimum distance =  2.50868843207566 Angstroms
sigma value = 15


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

Energy: -0.18592722785802296
Energy: -0.18935054494914383
Energy: 0.044970399889343544
Energy: -0.18935054494822923
Energy: -0.19274153544767528
Energy: -0.1309575198263235
Energy: -0.11037525129258288
Energy: -0.1309575198254089
Energy: -0.1358186325035594
Energy: 0.03496578281754922
Energy: 0.011651281311703822
Energy: 0.03496578282029306
Energy: -0.18304960348678434
Energy: -0.02293607073358425
Energy: -0.168162274489559
Energy: -0.02293607073632809
Energy: -0.1361396030866092
Energy: -0.09719446957490496
Energy: -0.14320950124323337
Energy: -0.09719446957490496
Energy: -0.1786272826052603
Energy: -0.03443836090220331
Energy: -0.20350291267730333
Energy: -0.03443836090037408
Energy: 0.011746327714242109
Energy: -0.12334052423760912
Energy: -0.14790280728236974
Energy: -0.1233405242366945
Energy: -0.21550358971977907
Energy: -0.08269402763567134
Energy: -0.1916418493080969
Energy: -0.08269402763567134
Energy: -0.04324933578066636
Energy: -0.019785391815174323
Energy: -0.18014289867857555
Energy: -0.019785391818832782
Energy: -0.21503519842952354
Energy: -0.06846361721370296
Energy: -0.12960682452661468
Energy: -0.06846361721461758
Energy: -0.1477244059048543
Energy: -0.01739742191657337
Energy: -0.13167557214097939
Energy: -0.017397421942182578
Energy: -0.1907780600352938
Energy: 0.10766661605090813
Energy: -0.18918090971963078
Energy: 0.10766661605273738
Energy: -0.10579203252068567
Energy: -0.1014704454115435
Energy: -0.15641076577202123
Energy: -0.10147044541245812
Energy: -0.19379846512965804
Energy: -0.06606240689147469
Energy: -0.11735868215915017
Energy: -0.06606240688873084
Energy: -0.047522682596788976
Energy: -0.10378175514365244
Energy: -0.09301160550033012
Energy: -0.10378175514365244
Energy: -0.20378612045814978
Energy: 0.13612468512856316
Energy: -0.18802200744593284
Energy: 0.136124685131307
Energy: -0.15192404776314275
Energy: -0.015907670650785126
Energy: -0.24228005130102842
Energy: -0.015907670651699738
Energy: -0.12356834387467759
Energy: -0.006562510222164519
Energy: -0.21584664294486505
Energy: -0.006562510221249906
Energy: -0.14293778601382684
Energy: -0.015485184773828802
Energy: -0.18041774418542686
Energy: -0.015485184771999573
Energy: -0.21665809828084534
Energy: -0.04341016474693235
Energy: -0.1914257981996005
Energy: -0.04341016474510311
Energy: -0.11675756876589226
Energy: -0.1204513466083028
Energy: -0.07148816286361612
Energy: -0.12045134660738818
Energy: -0.17617696274073644
Energy: -0.0994515535182964
Energy: -0.15129905353689316
Energy: -0.09945155351555254
Energy: -0.18913671324462372
Energy: -0.12832894406553916
Energy: -0.14296687888298665
Energy: -0.1283289440664538
Energy: -0.21866278422004537
Energy: -0.15954764432911844
Energy: -0.16936694641108552
Energy: -0.15954764432911844
Energy: -0.15207689127013294
Energy: 0.03524419719146226
Energy: -0.1715677844694361
Energy: 0.035244197193291485
Energy: -0.19484672146301077
Energy: -0.19542096606418366
Energy: -0.20966271600843864
Energy: -0.19542096606326903
Energy: -0.2725400310944507
Energy: -0.24162008733644913
Energy: -0.13340222144574418
Energy: -0.24162008732638837
Energy: -0.229597235717624
Energy: -0.22651841863706532
Energy: -0.08065946218544183
Energy: -0.22651841863797995
Energy: -0.13254578854592797
Energy: -0.07236212629032301
Energy: -0.17149968026337106
Energy: -0.07236212629215223
Energy: -0.17995707855809406
Energy: -0.1616199001421646
Energy: -0.19758008515922862
Energy: -0.16161990014490846
Energy: -0.1686119105585654
Energy: -0.09684373207811137
Energy: -0.1435037518852257
Energy: -0.09684373207811137
Energy: -0.1782060412211578
Energy: -0.09963687535418003
Energy: -0.20109066348056778
Energy: -0.09963687535235081
Energy: 0.005803677191171171
Energy: -0.1258802778775465
Energy: -0.2017561988668066
Energy: -0.1258802778766319
Energy: -0.16143064328499798
Energy: -0.17361414211081339
Energy: -0.18676206514823024
Energy: -0.17361414210806952
Energy: -0.19395705431200688
Energy: -0.09028493922382196
Energy: -0.09753903984674082
Energy: -0.09028493922748043
Energy: -0.19492127030752623
Energy: -0.014480446558491417
Energy: -0.12900390115809143
Energy: -0.014480446558491417
Energy: -0.13602483386861589
Energy: 0.07395673768232262
Energy: -0.2427182352231904
Energy: 0.07395673768140801

minimum gb energy = -0.2725400310944507 eV
minimum distance =  2.51597809463602 Angstroms
sigma value = 85


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

Energy: 0.2761223463931257
Energy: 0.17219974122228834
Energy: 0.38721225213732213
Energy: 0.17219974122308157
Energy: 0.22798454216866162
Energy: 0.14725367461666303
Energy: 0.12858283021414044
Energy: 0.1472536746158698
Energy: 0.22719969368163068
Energy: 0.19863140474432026
Energy: 0.24286841559321157
Energy: 0.19863140474511348
Energy: 0.17149054294147062
Energy: 0.10163943742912045
Energy: 0.1803156744800412
Energy: 0.10163943742912045
Energy: 0.23954309598437126
Energy: 0.27496180044871843
Energy: 0.23000698260369523
Energy: 0.27496180044871843
Energy: 0.17744315530208
Energy: 0.23828151981239942
Energy: 0.19298803278248855
Energy: 0.23828151981239942
Energy: 0.2666995078312771
Energy: 0.28106376249598714
Energy: 0.20670290896888613
Energy: 0.2810637624944006
Energy: 0.185678026011681
Energy: 0.19199264092365326
Energy: 0.18431140505507482
Energy: 0.19199264092286
Energy: 0.3214419530557845
Energy: 0.2552478446003229
Energy: 0.2744823123249734
Energy: 0.25524784460111616
Energy: 0.18754678408972325
Energy: 0.2991971404657351
Energy: 0.17962521804406265
Energy: 0.2991971404657351
Energy: 0.19484133961006997
Energy: 0.2873977003815142
Energy: 0.18039827609474826
Energy: 0.28739770038230744
Energy: 0.20997629992509131
Energy: 0.18283406201086683
Energy: 0.1939613165436996
Energy: 0.18283406201086683
Energy: 0.2095582491765764
Energy: 0.27145797404175304
Energy: 0.3072022181517669
Energy: 0.27145797404175304
Energy: 0.2082531276428972
Energy: 0.3413249974951977
Energy: 0.23274121685538202
Energy: 0.3413249974951977
Energy: 0.15433162164457173
Energy: 0.2687001004398664
Energy: 0.30549572219014026
Energy: 0.2687001004390731
Energy: 0.19724263327518052
Energy: 0.36264019906921746
Energy: 0.20386196455745056
Energy: 0.36264019906842415
Energy: 0.1523531669357828
Energy: 0.2711971988825253
Energy: 0.19454267965755034
Energy: 0.27119719888173205
Energy: 0.20332226781999233
Energy: 0.3520336531999517
Energy: 0.2335519428449597
Energy: 0.3520336531999517
Energy: 0.20776189623011873
Energy: 0.2733708251368596
Energy: 0.217429086099179
Energy: 0.2733708251368596
Energy: 0.16922789798459648
Energy: 0.21511803396997514
Energy: 0.19887539275467644
Energy: 0.2151180339691819
Energy: 0.17141844053217625
Energy: 0.2861966135368035
Energy: 0.1543400942265745
Energy: 0.2861966135375967
Energy: 0.18729581524566957
Energy: 0.2681633141061888
Energy: 0.1816979599695895
Energy: 0.2681633141069821
Energy: 0.20159586950920674
Energy: 0.3139507112239791
Energy: 0.2721143626163149
Energy: 0.3139507112231859
Energy: 0.1707804049925798
Energy: 0.18404960587098282
Energy: 0.1931065444827045
Energy: 0.18404960587256927
Energy: 0.291752552580426
Energy: 0.28458072279205077
Energy: 0.19761987484647642
Energy: 0.2845807227936372
Energy: 0.17699835998612554
Energy: 0.1507642938472927
Energy: 0.19494883096379234
Energy: 0.1507642938457062
Energy: 0.11405567016912882
Energy: 0.2809923751668222
Energy: 0.23125840087037458
Energy: 0.2809923751668222
Energy: 0.18305879290356294
Energy: 0.1885381310406021
Energy: 0.19718472110235033
Energy: 0.1885381310406021
Energy: 0.2853581643649151
Energy: 0.19778538354706943
Energy: 0.20727989239951225
Energy: 0.1977853835478627
Energy: 0.17007941449869818
Energy: 0.1309569224851664
Energy: 0.1296839690221303
Energy: 0.13095692248595964
Energy: 0.17338806385480468
Energy: 0.24200261491439376
Energy: 0.15801516712119956
Energy: 0.24200261491360048
Energy: 0.19910924837567914
Energy: 0.1473890710829969
Energy: 0.17564767895462108
Energy: 0.1473890710869631
Energy: 0.20444747508798877
Energy: 0.19737892216322797
Energy: 0.15129434767168637
Energy: 0.19737892216322797
Energy: 0.16608043488460436
Energy: 0.11408898160649815
Energy: 0.1773527119043554
Energy: 0.11408898160570491
Energy: 0.11835975079261041
Energy: 0.28110118149501423
Energy: 0.22676770925687842
Energy: 0.28110118149422103
Energy: 0.1820840494719037
Energy: 0.21514030493682723
Energy: 0.19026939346152452
Energy: 0.215140304936034
Energy: 0.26515499898230893
Energy: 0.26547763954811837
Energy: 0.20479928565098213
Energy: 0.26547763954494535
Energy: 0.20447347166792174
Energy: 0.20199585832560257
Energy: 0.18340722145841043
Energy: 0.20199585832718908
Energy: 0.20436414548879264
Energy: 0.2563684904544037
Energy: 0.2974120305585037
Energy: 0.2563684904544037
Energy: 0.162243408503668
Energy: 0.2117297895124427
Energy: 0.2302159969917902
Energy: 0.21172978951164945
Energy: 0.20366273099898652
Energy: 0.28857786303867855
Energy: 0.17037244016462105
Energy: 0.28857786303788524
Energy: 0.20905666971813577
Energy: 0.23835595210178978
Energy: 0.19033199431647121
Energy: 0.23835595210103258
Energy: 0.20686061724527097
Energy: 0.2914167561068606
Energy: 0.2706202888314879
Energy: 0.2914167561068606

minimum gb energy = 0.10163943742912045 eV
minimum distance =  2.50463160553735 Angstroms
sigma value = 113


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

Energy: 0.019523284331209347
Energy: 0.019781615511187744
Energy: 0.9132298043775999
Energy: 0.019781615511797548
Energy: -0.7675303032360423
Energy: 0.5830746568837374
Energy: -0.7675407795336153
Energy: 0.583074656884957
Energy: 0.28634832311112857
Energy: 0.019781615511187744
Energy: 0.019523284331209347
Energy: 0.019781615511797548
Energy: -0.7675342960237358
Energy: 0.5830746568837374
Energy: -0.7675587005911559
Energy: 0.5830746568831614
Energy: 0.019523284331209347
Energy: 0.019781615511187744
Energy: 0.9132298043752286
Energy: 0.019781615511187744
Energy: -0.7675376307782947
Energy: 0.5830746568831614
Energy: -0.7675619572685309
Energy: 0.5830746568855328

minimum gb energy = -0.7675619572685309 eV
minimum distance =  2.65399984049057 Angstroms
sigma value = 1