Model name: model_name=Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0415970236062995
cohesive_energy=3.3700537750426105
mass=26.981538
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: 0.010426006523041046
Energy: 0.011351002264286758
Energy: 1.595536228506296
Energy: 0.011351002263812839
Energy: 0.011351002264286758
Energy: 0.3431341763101762
Energy: 0.011351002264286758
Energy: 0.3431341763101762
Energy: 1.595536228506296
Energy: 0.011351002264286758
Energy: 0.010426006522567127
Energy: 0.011351002263812839
Energy: 0.011351002264286758
Energy: 0.3431341763101762
Energy: 0.011351002264286758
Energy: 0.3431341763101762

minimum gb energy = 0.010426006522567127 eV
minimum distance =  2.77336413216397 Angstroms
sigma value = 1


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

Energy: 0.6827318161244759
Energy: 0.5598142820385055
Energy: 0.8321760460977545
Energy: 0.559814282039114
Energy: 0.6260263076096547
Energy: 0.675384191170372
Energy: 0.626888078174776
Energy: 0.675384191170372
Energy: 0.6500009763259509
Energy: 0.5626212935932863
Energy: 0.6304890189553478
Energy: 0.5626212935926777
Energy: 0.6213866092600457
Energy: 0.5774505549132474
Energy: 0.609572286353264
Energy: 0.5774505549138559
Energy: 0.6218825985344744
Energy: 0.5727059547741076
Energy: 0.7212154303166326
Energy: 0.5727059547741076
Energy: 0.6245795089447288
Energy: 0.6601211415413314
Energy: 0.6343229377608535
Energy: 0.6601211415407229
Energy: 0.7293613454799835
Energy: 0.5633667415266388
Energy: 0.6241449719615175
Energy: 0.5633667415266388
Energy: 0.6413970833773185
Energy: 0.5720594235996905
Energy: 0.6314794210171074
Energy: 0.5720594236002992
Energy: 0.6075795855954772
Energy: 0.6493638950734351
Energy: 0.6666582344668724
Energy: 0.6493638950722179
Energy: 0.6304528758034615
Energy: 0.5533578521091956
Energy: 0.6558022732827269
Energy: 0.5533578521098043
Energy: 0.6741028733437949
Energy: 0.6283768676221899
Energy: 0.6077321871239773
Energy: 0.6283768676227985
Energy: 0.6890031077869949
Energy: 0.5946183794640963
Energy: 0.6353059126027764
Energy: 0.5946183794634878
Energy: 0.625328162686419
Energy: 0.5521697719998107
Energy: 0.6784778578066178
Energy: 0.5521697720004192
Energy: 0.6264073219550245
Energy: 0.5644088444145321
Energy: 0.6055682905188141
Energy: 0.5644088444139234
Energy: 0.6258234346078063
Energy: 0.5606067948765422
Energy: 0.6297290663130105
Energy: 0.5606067948771508
Energy: 0.6243439866061454
Energy: 0.6401436478685361
Energy: 0.6317577653880235
Energy: 0.6401436478685361
Energy: 0.6292102225183693
Energy: 0.5627195262081145
Energy: 0.6257901284830465
Energy: 0.5627195262093316
Energy: 0.6268574950653746
Energy: 0.5526488987737036
Energy: 0.6767916715665424
Energy: 0.552648898773095
Energy: 0.726490388604695
Energy: 0.5945134342117582
Energy: 0.6328155883683857
Energy: 0.5945134342111497
Energy: 0.6714332603050148
Energy: 0.6552500048891534
Energy: 0.6080874602093391
Energy: 0.655250004889762
Energy: 0.6227376976185462
Energy: 0.5626176401075852
Energy: 0.6482910394856848
Energy: 0.5626176401075852
Energy: 0.6095042579145225
Energy: 0.6424094902339953
Energy: 0.6648348238990633
Energy: 0.6424094902339953
Energy: 0.6681590526269511
Energy: 0.5728038578387763
Energy: 0.6225765194944164
Energy: 0.5728038578381677
Energy: 0.6763113921587866
Energy: 0.5631957125785053
Energy: 0.6234766556937006
Energy: 0.5631957125791138
Energy: 0.6256428501980353
Energy: 0.6602218132027686
Energy: 0.6705180752385068
Energy: 0.6602218132033771
Energy: 0.6268173066672554
Energy: 0.5629489182042401
Energy: 0.639501156354331
Energy: 0.5629489182054572
Energy: 0.6245964940871822
Energy: 0.7045105664271223
Energy: 0.6076482076838003
Energy: 0.7045105664259051
Energy: 0.6979799191247784
Energy: 0.5523365409045321
Energy: 0.6588201176321706
Energy: 0.5523365409045321
Energy: 0.6641147688905393
Energy: 0.6780936351525125
Energy: 0.6214352776829608
Energy: 0.6780936351531212
Energy: 0.6808711428526881
Energy: 0.5608286631094109
Energy: 0.7012138128945535
Energy: 0.5608286631094109
Energy: 0.6089567933664752
Energy: 0.5710228350818908
Energy: 0.6253765530500331
Energy: 0.5710228350818908
Energy: 0.6388819128204164
Energy: 0.5563776108315811
Energy: 0.6264405737470912
Energy: 0.5563776108321897
Energy: 0.6218856068481171
Energy: 0.5771939601230506
Energy: 0.61256073814816
Energy: 0.5771939601230506

minimum gb energy = 0.5521697719998107 eV
minimum distance =  2.56117641908841 Angstroms
sigma value = 1


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

Energy: 0.6896368347138565
Energy: 0.5933290900214221
Energy: 0.871753319285139
Energy: 0.5933290900214221
Energy: 0.641897001470348
Energy: 0.6546631141672999
Energy: 0.6393853431754685
Energy: 0.6546631141679938
Energy: 0.6652594040744291
Energy: 0.6035679360918672
Energy: 0.6553494352253568
Energy: 0.6035679360918672
Energy: 0.6536287781106624
Energy: 0.6012137002523519
Energy: 0.6480269080094845
Energy: 0.6012137002516581
Energy: 0.6536515280668957
Energy: 0.5809418945546474
Energy: 0.7014100679351949
Energy: 0.5809418945560352
Energy: 0.6945607657633461
Energy: 0.5810097231967611
Energy: 0.6675294987362078
Energy: 0.5810097231974549
Energy: 0.7068089648878022
Energy: 0.6639554808352425
Energy: 0.624572126737582
Energy: 0.6639554808345487
Energy: 0.6665750445830039
Energy: 0.6037114171964931
Energy: 0.6478100910507575
Energy: 0.6037114171964931
Energy: 0.6242416777572458
Energy: 0.7017349485165889
Energy: 0.6996068487365545
Energy: 0.7017349485186706
Energy: 0.63045074205345
Energy: 0.5953884615345929
Energy: 0.7409198544116937
Energy: 0.5953884615345929
Energy: 0.6955102973564927
Energy: 0.63981438278342
Energy: 0.64620514302585
Energy: 0.639814382782726
Energy: 0.641881387958448
Energy: 0.5968010555765149
Energy: 0.6545710648000601
Energy: 0.5968010555772087
Energy: 0.6527461822742652
Energy: 0.5782198073649387
Energy: 0.6518500023177217
Energy: 0.5782198073642449
Energy: 0.6526775982872937
Energy: 0.5785094570552146
Energy: 0.6431345899401184
Energy: 0.5785094570538268
Energy: 0.6418709510923517
Energy: 0.596863471753828
Energy: 0.6543673461736721
Energy: 0.596863471754522
Energy: 0.6955115627915738
Energy: 0.6396540339471846
Energy: 0.6248854242152926
Energy: 0.6396540339471846
Energy: 0.6305746434332541
Energy: 0.5954645347859804
Energy: 0.7126211320230095
Energy: 0.5954645347866743
Energy: 0.6242490136490656
Energy: 0.7016982790484194
Energy: 0.6995311581436774
Energy: 0.7016982790484194
Energy: 0.6665518659720936
Energy: 0.6036141282058791
Energy: 0.6435313970414532
Energy: 0.6036141282037976
Energy: 0.7067939472430146
Energy: 0.6638587825824999
Energy: 0.6460264915957246
Energy: 0.6638587825838876
Energy: 0.694545690973948
Energy: 0.5813176513302808
Energy: 0.6497263132312883
Energy: 0.5813176513302808
Energy: 0.6537202987823484
Energy: 0.5809727459673094
Energy: 0.6460111218780349
Energy: 0.5809727459666155
Energy: 0.6536663804041324
Energy: 0.6013332829931166
Energy: 0.6246934931745699
Energy: 0.6013332829938105
Energy: 0.6651046420595667
Energy: 0.603559905283862
Energy: 0.6543479231110594
Energy: 0.603559905283862
Energy: 0.641989457115297
Energy: 0.6546432682940088
Energy: 0.6394072957259437
Energy: 0.6546432682940088
Energy: 0.6896368347124688
Energy: 0.5933290900214221
Energy: 0.8398561216793959
Energy: 0.593329090022116
Energy: 0.6418970014710418
Energy: 0.6546631141672999
Energy: 0.6393853431754685
Energy: 0.6546631141679938
Energy: 0.665259404075123
Energy: 0.6035679360918672
Energy: 0.6553494352253568
Energy: 0.6035679360911733
Energy: 0.6536287781106624
Energy: 0.6012137002537398
Energy: 0.6419024760505754
Energy: 0.6012137002537398

minimum gb energy = 0.5782198073642449 eV
minimum distance =  2.51485298083256 Angstroms
sigma value = 25


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

Energy: 0.6681413562601306
Energy: 0.5968387001785715
Energy: 0.8216742197382535
Energy: 0.5968387001785715
Energy: 0.7067062848469763
Energy: 0.6096324007215707
Energy: 0.6550732752273819
Energy: 0.6096324007199574
Energy: 0.6764591952318239
Energy: 0.6368579211093064
Energy: 0.6481107665116654
Energy: 0.6368579211084998
Energy: 0.6591021867720864
Energy: 0.627063209221936
Energy: 0.6571520432513022
Energy: 0.627063209221936
Energy: 0.6557742193967424
Energy: 0.6000511874521279
Energy: 0.7286487444884292
Energy: 0.6000511874529345
Energy: 0.7157021703496599
Energy: 0.6302451627964715
Energy: 0.714664005025993
Energy: 0.6302451627964715
Energy: 0.716317320207424
Energy: 0.7379319543333018
Energy: 0.6748628292746601
Energy: 0.7379319543324953
Energy: 0.8034247555336057
Energy: 0.5995954372037072
Energy: 0.6706680794239356
Energy: 0.5995954372037072
Energy: 0.6737731298062
Energy: 0.6690153807172311
Energy: 0.7200260207437238
Energy: 0.6690153807164245
Energy: 0.648387769027007
Energy: 0.6280677131004764
Energy: 0.654882534155857
Energy: 0.6280677130996697
Energy: 0.6924239854118263
Energy: 0.6638467506819072
Energy: 0.6582865810833421
Energy: 0.6638467506819072
Energy: 0.6773559026950022
Energy: 0.6081311233255632
Energy: 0.6832629133094251
Energy: 0.6081311233247566
Energy: 0.6481473061952249
Energy: 0.6221467522165812
Energy: 0.6546485133353598
Energy: 0.6221467522181762
Energy: 0.6747674958709358
Energy: 0.6293187354899747
Energy: 0.6715270116177476
Energy: 0.6293187354891682
Energy: 0.7205681774704367
Energy: 0.600351077990325
Energy: 0.672328982960149
Energy: 0.600351077990325
Energy: 0.6828722893065547
Energy: 0.7158942522605177
Energy: 0.6570631785943983
Energy: 0.7158942522597112
Energy: 0.6782026795347018
Energy: 0.6279837291203194
Energy: 0.6759058962419056
Energy: 0.6279837291203194
Energy: 0.6566038215112616
Energy: 0.6001523041424798
Energy: 0.6694652454837491
Energy: 0.6001523041424798
Energy: 0.6585260499360134
Energy: 0.6256853677312856
Energy: 0.6592296598772807
Energy: 0.6256853677312856
Energy: 0.6685623885956514
Energy: 0.6819760398030982
Energy: 0.6523959153836991
Energy: 0.6819760398030982
Energy: 0.6459754031162431
Energy: 0.6199872998094476
Energy: 0.663103256841778
Energy: 0.6199872998094476
Energy: 0.6864812832272424
Energy: 0.6088278620404949
Energy: 0.7466158092924026
Energy: 0.6088278620404949
Energy: 0.7047534488397219
Energy: 0.7064250786832394
Energy: 0.66273210390502
Energy: 0.7064250786832394
Energy: 0.7466834462542513
Energy: 0.6269763571710453
Energy: 0.6483083326661658
Energy: 0.6269763571710453
Energy: 0.7212767359074937
Energy: 0.6255050287014641
Energy: 0.6572966206243366
Energy: 0.6255050287006574

minimum gb energy = 0.5968387001785715 eV
minimum distance =  2.51643011286646 Angstroms
sigma value = 9


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

Energy: 0.6746146271556719
Energy: 0.6405703641391678
Energy: 0.9273210857534637
Energy: 0.6405703641391678
Energy: 0.6898692487566342
Energy: 0.6942022933346269
Energy: 0.6801051780712273
Energy: 0.6942022933336647
Energy: 0.6891535942032597
Energy: 0.6477319779225664
Energy: 0.6740891088370167
Energy: 0.6477319779225664
Energy: 0.7538974087715997
Energy: 0.7778139794496814
Energy: 0.6910301914797768
Energy: 0.7778139794496814
Energy: 0.7375547586211966
Energy: 0.6504344082585304
Energy: 0.7657362401097431
Energy: 0.6504344082585304
Energy: 0.6870015446481136
Energy: 0.6568998324951605
Energy: 0.7992300296669739
Energy: 0.6568998324951605
Energy: 0.7651753181282971
Energy: 0.8194844205878313
Energy: 0.6907473584740372
Energy: 0.8194844205878313
Energy: 0.7694100038070233
Energy: 0.6576211260708553
Energy: 0.6901714470204318
Energy: 0.6576211260698932
Energy: 0.6786752987186572
Energy: 0.6989421149547269
Energy: 0.6796321749399732
Energy: 0.6989421149547269
Energy: 0.6724919668706747
Energy: 0.6557849492415607
Energy: 0.7012772773033262
Energy: 0.6557849492415607
Energy: 0.6679003105084602
Energy: 0.6311386210891939
Energy: 0.6843425971878048
Energy: 0.6311386210882317
Energy: 0.695753509531412
Energy: 0.6472958723513529
Energy: 0.6910019856390278
Energy: 0.6472958723513529
Energy: 0.6862042237476895
Energy: 0.6476109787851264
Energy: 0.695837649182533
Energy: 0.6476109787841641
Energy: 0.7310174752623168
Energy: 0.916930311653
Energy: 0.691492988283809
Energy: 0.9169303116539623
Energy: 0.6862880054410411
Energy: 0.647528075871221
Energy: 0.7561834463790355
Energy: 0.647528075871221
Energy: 0.6956602636076523
Energy: 0.647486395788547
Energy: 0.6906441213968743
Energy: 0.647486395788547
Energy: 0.6678989139144114
Energy: 0.6309863022280664
Energy: 0.6740892107463963
Energy: 0.6309863022280664
Energy: 0.6724436121119599
Energy: 0.6557784555009577
Energy: 0.701255518747839
Energy: 0.6557784555009577
Energy: 0.6785732600539541
Energy: 0.6989951016322535
Energy: 0.6796977433424889
Energy: 0.6989951016322535
Energy: 0.769456253709358
Energy: 0.6575958630640761
Energy: 0.6901522837965359
Energy: 0.6575958630640761
Energy: 0.7650774038158763
Energy: 0.8187560068062151
Energy: 0.690861691878324
Energy: 0.818756006805253

minimum gb energy = 0.6309863022280664 eV
minimum distance =  2.52236263850189 Angstroms
sigma value = 25


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

Energy: 0.7039417784776455
Energy: 0.6377551648856215
Energy: 0.8075767092172247
Energy: 0.6377551648856215
Energy: 0.690019517110054
Energy: 0.693134862365765
Energy: 0.6733864032525556
Energy: 0.693134862365765
Energy: 0.6974563870575045
Energy: 0.7174801724562284
Energy: 0.6734801853373793
Energy: 0.7174801724562284
Energy: 0.6996109813894309
Energy: 0.6465515438296872
Energy: 0.7577893263640775
Energy: 0.6465515438284972
Energy: 0.758961037591883
Energy: 0.6880757796928605
Energy: 0.8495852542604483
Energy: 0.6880757796928605
Energy: 0.6716759307669462
Energy: 0.6857934763506996
Energy: 0.845483898027891
Energy: 0.6857934763506996
Energy: 0.6729639957914315
Energy: 0.6955173569853812
Energy: 0.6938164349278084
Energy: 0.6955173569853812
Energy: 0.7555911790354088
Energy: 0.6590771471629722
Energy: 0.6894074881851577
Energy: 0.6590771471629722
Energy: 0.6734369719798466
Energy: 0.6890230837822948
Energy: 0.6927951288707604
Energy: 0.6890230837822948
Energy: 0.782230615843913
Energy: 0.7183736424660628
Energy: 0.6732985328783087
Energy: 0.7183736424660628
Energy: 0.6805703159079933
Energy: 0.6467259231560616
Energy: 0.8226696454497523
Energy: 0.6467259231560616
Energy: 0.674192026096944
Energy: 0.908863081406949
Energy: 0.7814849148408699
Energy: 0.908863081406949
Energy: 0.7741374725278007
Energy: 0.701212120016069
Energy: 0.6944565556344015
Energy: 0.701212120016069
Energy: 0.6932808574631948
Energy: 0.658679191669941
Energy: 0.6998530072300796
Energy: 0.658679191669941
Energy: 0.710808057443113
Energy: 0.6586073106386602
Energy: 0.7563270062645092
Energy: 0.6586073106386602
Energy: 0.6764027956274113
Energy: 0.7771421753115189
Energy: 0.6711446325847464
Energy: 0.777142175310329
Energy: 0.6743854821630603
Energy: 0.7589691190269108
Energy: 0.7806561726785801
Energy: 0.7589691190281007

minimum gb energy = 0.6377551648856215 eV
minimum distance =  2.52713884243928 Angstroms
sigma value = 17


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

Energy: 0.7027720263452074
Energy: 0.7242335045035789
Energy: 0.9346689394400003
Energy: 0.7242335045035789
Energy: 0.7200119542226115
Energy: 0.7574607643513479
Energy: 0.702000828941624
Energy: 0.7574607643513479
Energy: 0.7985086667737245
Energy: 0.7081832042628704
Energy: 0.6688595051986022
Energy: 0.7081832042635444
Energy: 0.7115930651457464
Energy: 0.7175270251095824
Energy: 0.7437259121024542
Energy: 0.7175270251102563
Energy: 0.7654878762202447
Energy: 0.8250037438052306
Energy: 0.7653731377338197
Energy: 0.8250037438045567
Energy: 0.6845231799987905
Energy: 0.7190101178290407
Energy: 0.8272099275697155
Energy: 0.7190101178283668
Energy: 0.737356114277215
Energy: 0.7152871320627682
Energy: 0.7426636759360963
Energy: 0.7152871320634421
Energy: 0.8214097038853533
Energy: 0.7211077069030412
Energy: 0.7052822750218267
Energy: 0.7211077069037151
Energy: 0.7160118596235511
Energy: 0.7341904206011571
Energy: 0.79619119332709
Energy: 0.7341904206011571
Energy: 0.8420797606920257
Energy: 0.8513290812672981
Energy: 0.7114131609666005
Energy: 0.8513290812666241
Energy: 0.6704235316187473
Energy: 0.7350880424389425
Energy: 0.8873377086648312
Energy: 0.7350880424389425
Energy: 0.7117589881075317
Energy: 0.7801040040933791
Energy: 0.7404104288750547
Energy: 0.7801040040933791
Energy: 0.7531272953210025
Energy: 0.7328486277418425
Energy: 0.705943187638422
Energy: 0.7328486277425164
Energy: 0.6742021425922695
Energy: 0.7442899741615425
Energy: 0.7188214984773892
Energy: 0.7442899741622164
Energy: 0.7519250606899387
Energy: 0.7146863067344567
Energy: 0.7332899980903067
Energy: 0.7146863067344567
Energy: 0.7181884643753218
Energy: 0.7172077266235909
Energy: 0.7679998909370096
Energy: 0.7172077266242648
Energy: 0.7410283492838939
Energy: 0.7297975160778113
Energy: 0.7912166533803079
Energy: 0.7297975160778113
Energy: 0.8422848994990735
Energy: 0.7236911637521298
Energy: 0.6845874918701409
Energy: 0.7236911637521298
Energy: 0.7213489740310388
Energy: 0.7421054906285031
Energy: 0.7135730950702316
Energy: 0.742105490629177
Energy: 0.7210135620754605
Energy: 0.7231456776487926
Energy: 0.7397052895548746
Energy: 0.7231456776481185
Energy: 0.7195154674840782
Energy: 0.7217717059907117
Energy: 0.7465542352007565
Energy: 0.7217717059907117
Energy: 0.7075380204479508
Energy: 0.9331566850257745
Energy: 0.8186128061855439
Energy: 0.9331566850251005
Energy: 0.782055627555146
Energy: 0.7326990693399759
Energy: 0.6794565904391479
Energy: 0.7326990693399759
Energy: 0.7444804593717385
Energy: 0.7427432264474768
Energy: 0.7577094749341896
Energy: 0.7427432264481508
Energy: 0.7262140607144372
Energy: 0.7278723449577092
Energy: 0.7398331030290689
Energy: 0.7278723449570353
Energy: 0.8006322308733675
Energy: 0.7346948668952578
Energy: 0.6820905892164933
Energy: 0.7346948668952578
Energy: 0.7770032043162738
Energy: 0.8943022454079036
Energy: 0.8376436607162057
Energy: 0.8943022454072297
Energy: 0.7103748956030653
Energy: 0.716734907764149
Energy: 0.7471288657286079
Energy: 0.7167349077634751
Energy: 0.7598596019511816
Energy: 0.709820448207086
Energy: 0.7291522821604819
Energy: 0.7098204482064121
Energy: 0.6787748081777932
Energy: 0.7247242272196147
Energy: 0.8168785267717529
Energy: 0.7247242272189408

minimum gb energy = 0.6688595051986022 eV
minimum distance =  2.51399941440601 Angstroms
sigma value = 53


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

Energy: 0.5919961523165226
Energy: 0.6928847947876974
Energy: 1.0250106155243857
Energy: 0.6928847947876974
Energy: 0.7365496052309171
Energy: 0.7348222338216488
Energy: 0.7235185347039461
Energy: 0.7348222338216488
Energy: 0.6095981932467887
Energy: 0.7314348209620759
Energy: 0.7177917484505784
Energy: 0.7314348209620759
Energy: 0.6095375456569497
Energy: 0.7313547662502611
Energy: 0.7070768710346071
Energy: 0.7313547662502611
Energy: 0.7364517460115135
Energy: 0.7348029397766912
Energy: 0.7756791849775286
Energy: 0.7348029397766912
Energy: 0.5919961523165226
Energy: 0.6928847947876974
Energy: 0.9349152533400318
Energy: 0.6928847947876974
Energy: 0.7365496052309171
Energy: 0.7348222338216488
Energy: 0.7235185347054977
Energy: 0.7348222338216488
Energy: 0.6095981932467887
Energy: 0.7314348209620759
Energy: 0.7177917484505784
Energy: 0.7314348209620759
Energy: 0.6095375456569497
Energy: 0.7313547662502611
Energy: 0.7126273308807913
Energy: 0.7313547662502611
Energy: 0.7364517460115135
Energy: 0.7348029397766912
Energy: 0.7738006600495722
Energy: 0.7348029397766912
Energy: 0.591996152314971
Energy: 0.6928847947876974
Energy: 0.8999343647242203
Energy: 0.6928847947876974
Energy: 0.7365496052309171
Energy: 0.7348222338216488
Energy: 0.7455895687822239
Energy: 0.7348222338216488
Energy: 0.6095981932467887
Energy: 0.7314348209620759
Energy: 0.7177917484505784
Energy: 0.7314348209620759

minimum gb energy = 0.591996152314971 eV
minimum distance =  2.55280513614334 Angstroms
sigma value = 9


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

Energy: 0.6544462703965397
Energy: 0.7679057184631879
Energy: 0.9697264585139399
Energy: 0.7679057184631879
Energy: 0.8239428747898172
Energy: 0.719992346574025
Energy: 0.7209061673250285
Energy: 0.7199923465751735
Energy: 0.7788758904455486
Energy: 0.7774829155876097
Energy: 0.7192604310580802
Energy: 0.7774829155858869
Energy: 0.8985525907723176
Energy: 0.7824701700307258
Energy: 0.7181916353145392
Energy: 0.7824701700307258
Energy: 0.8956761969239587
Energy: 0.7261842851652602
Energy: 0.6934709521875394
Energy: 0.7261842851646859
Energy: 0.6454767242304039
Energy: 0.7745014911070485
Energy: 0.9041526088763461
Energy: 0.7745014911064743
Energy: 0.9261381027988829
Energy: 0.7513004839301947
Energy: 0.7083662464166087
Energy: 0.7513004839296205
Energy: 0.7543578591380272
Energy: 0.7843761033376763
Energy: 0.7670906676302652
Energy: 0.7843761033371021
Energy: 0.9009660674939007
Energy: 0.7766933446817339
Energy: 0.6737632038468518
Energy: 0.7766933446811597
Energy: 0.7490892370530375
Energy: 0.8244197803732414
Energy: 0.691044345517442
Energy: 0.8244197803732414
Energy: 0.7030641741398701
Energy: 0.7729342520314706
Energy: 0.9081406962250568
Energy: 0.7729342520314706
Energy: 0.7698890986187733
Energy: 0.8635524821913234
Energy: 0.7117875426428456
Energy: 0.8635524821918978
Energy: 0.7017446765224068
Energy: 0.7875448757855531
Energy: 0.8258080532239348
Energy: 0.7875448757855531
Energy: 0.882876213327217
Energy: 0.7700837338815252
Energy: 0.6989045062479795
Energy: 0.770083733880951
Energy: 0.693417678930107
Energy: 0.8221526621682446
Energy: 0.7519067792935017
Energy: 0.822152662168819
Energy: 0.6771880969720129
Energy: 0.7875868367181584
Energy: 0.8059914826909979
Energy: 0.7875868367175842
Energy: 0.7252192071518598
Energy: 0.7779434278989009
Energy: 0.6808545662391822
Energy: 0.7779434279000494
Energy: 0.7181014008177821
Energy: 0.740632635004742
Energy: 0.8851345847100289
Energy: 0.740632635004742
Energy: 0.9152707995767637
Energy: 0.7546195650924943
Energy: 0.6471554166734642
Energy: 0.7546195650930686
Energy: 0.6940736641036969
Energy: 0.8203415550623486
Energy: 0.774727963970912
Energy: 0.8203415550623486
Energy: 0.7733095678057204
Energy: 0.79018375918844
Energy: 0.8028931141056631
Energy: 0.7901837591890143
Energy: 0.7333444678135532
Energy: 0.8628004994949734
Energy: 0.6833728306931921
Energy: 0.8628004994949734
Energy: 0.6931378475516362
Energy: 0.7168743333887612
Energy: 0.8687650878737601
Energy: 0.7168743333904839
Energy: 0.8844851531739384
Energy: 0.7716402868671662
Energy: 0.7021033710151681
Energy: 0.7716402868671662
Energy: 0.7165105674265801
Energy: 0.8931596769910141
Energy: 0.8850675837150922
Energy: 0.8931596769915884
Energy: 0.7514627174267476
Energy: 0.7895305183718627
Energy: 0.7010649570081874
Energy: 0.7895305183730112
Energy: 0.7423599969330977
Energy: 0.8323934662690966
Energy: 0.8676462209655665
Energy: 0.8323934662685484
Energy: 0.7019191041373604
Energy: 0.7805372498329906
Energy: 0.8685057491252403
Energy: 0.7805372498329906
Energy: 0.764461062694758
Energy: 0.7894151474383385
Energy: 0.7013876528370003
Energy: 0.7894151474383385
Energy: 0.7150023545936746
Energy: 0.8928853454569594
Energy: 0.8859746278200584
Energy: 0.8928853454575336
Energy: 0.869142030800749
Energy: 0.7713903543986356
Energy: 0.7008995456136828
Energy: 0.7713903543992098
Energy: 0.692284410670869
Energy: 0.7419884642679899
Energy: 0.830619428186545
Energy: 0.7419884642679899
Energy: 0.6914341033113958
Energy: 0.7913481786077451
Energy: 0.7135685292861371
Energy: 0.7913481786071708
Energy: 0.7807245354071178
Energy: 0.7890076898711517
Energy: 0.8135704122194993
Energy: 0.7890076898700032
Energy: 0.6939767533125936
Energy: 0.8176533814445527
Energy: 0.9272503559738627
Energy: 0.8176533814439784

minimum gb energy = 0.6454767242304039 eV
minimum distance =  2.47458509007127 Angstroms
sigma value = 73


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

Energy: 0.6789459377566582
Energy: 0.7820619586920146
Energy: 0.9546784782428257
Energy: 0.7820619586911034
Energy: 0.8007981927324295
Energy: 0.8034862337222964
Energy: 0.6935443749697582
Energy: 0.8034862337222964
Energy: 0.8823695775976574
Energy: 0.7180334790016349
Energy: 0.6955817787120921
Energy: 0.7180334790025461
Energy: 0.8000671432310061
Energy: 0.8037607706963968
Energy: 0.7243297854982097
Energy: 0.8037607706954857
Energy: 0.897353814198148
Energy: 0.7568660305710581
Energy: 0.6798201991414321
Energy: 0.7568660305701469
Energy: 0.7237415563703371
Energy: 0.7808176489341562
Energy: 0.9075489759041878
Energy: 0.7808176489341562
Energy: 0.9261902135481622
Energy: 0.8080531781747352
Energy: 0.7026504628348386
Energy: 0.8080531781738242
Energy: 0.7113392088683287
Energy: 0.7829725469994302
Energy: 0.848122369135786
Energy: 0.7829725469994302
Energy: 0.9290829059789474
Energy: 0.7064554495848901
Energy: 0.6698804847988017
Energy: 0.7064554495848901
Energy: 0.6977708548315007
Energy: 0.8049008541429216
Energy: 0.6647497626264153
Energy: 0.8049008541429216
Energy: 0.6793494409793109
Energy: 0.7186188944519007
Energy: 0.8363056799869034
Energy: 0.7186188944519007
Energy: 0.7847626540249215
Energy: 0.8056454321199551
Energy: 0.7385515733524335
Energy: 0.8056454321199551
Energy: 0.7052136138951931
Energy: 0.7285624817387769
Energy: 0.9914814969182799
Energy: 0.728562481739688
Energy: 0.8914054206660519
Energy: 0.7774480882443666
Energy: 0.717408695090049
Energy: 0.7774480882434556
Energy: 0.6610775322487717
Energy: 0.8475145014631675
Energy: 0.9003335638126698
Energy: 0.8475145014631675
Energy: 0.8166254929973323
Energy: 0.7829573707652211
Energy: 0.711014487467335
Energy: 0.7829573707652211
Energy: 0.6981268462438776
Energy: 0.8418483930289599
Energy: 0.8609547762804567
Energy: 0.841848393029871
Energy: 0.7129508154035514
Energy: 0.7228430915022075
Energy: 0.8443856652673786
Energy: 0.7228430915022075
Energy: 0.7250922602384692
Energy: 0.7859351934388294
Energy: 0.7106944328185157
Energy: 0.7859351934388294
Energy: 0.7040866969828256
Energy: 0.8372035990061505
Energy: 0.952622389380984
Energy: 0.8372035990061505
Energy: 0.8896081755944198
Energy: 0.795074861827535
Energy: 0.7186466986957492
Energy: 0.7950748618266237
Energy: 0.7244910325849986
Energy: 0.812848905029461
Energy: 0.852919701394026
Energy: 0.812848905029461

minimum gb energy = 0.6610775322487717 eV
minimum distance =  2.50676258022725 Angstroms
sigma value = 7


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

Energy: 0.6397069828947584
Energy: 0.7914419286739243
Energy: 0.9744558669920221
Energy: 0.7914419286726359
Energy: 0.9150741175836256
Energy: 0.8706684190640364
Energy: 0.7278208369729164
Energy: 0.8706684190640364
Energy: 0.7784308728232638
Energy: 0.7992046351567011
Energy: 0.7428127353288508
Energy: 0.7992046351560568
Energy: 0.9115123620207108
Energy: 0.7813679785467005
Energy: 0.6936232670991662
Energy: 0.7813679785467005
Energy: 0.7662406100088752
Energy: 0.8286051720278462
Energy: 0.7234877438816335
Energy: 0.828605172027202
Energy: 0.6987405723198203
Energy: 0.7895526455787092
Energy: 0.8609299020753873
Energy: 0.7895526455774208
Energy: 0.8458192989833155
Energy: 0.8920124807163203
Energy: 0.7449836632955278
Energy: 0.8920124807176087
Energy: 0.6922434961448162
Energy: 0.8100285303481436
Energy: 0.9482941564573025
Energy: 0.8100285303500764
Energy: 0.9489532574600911
Energy: 0.7772069099039319
Energy: 0.6938628892604967
Energy: 0.7772069099032877
Energy: 0.7091547727224511
Energy: 0.8592222343553345
Energy: 0.7421709005829868
Energy: 0.8592222343553345
Energy: 0.7528452957157821
Energy: 0.8261648099005812
Energy: 0.7621418669700983
Energy: 0.8261648099005812
Energy: 0.6659036264304578
Energy: 0.8435607540849188
Energy: 0.8658094369207957
Energy: 0.8435607540849188
Energy: 0.66657312084741
Energy: 0.7715582931332333
Energy: 0.8753345034330161
Energy: 0.7715582931325891
Energy: 0.7435882535968046
Energy: 0.7979439616445186
Energy: 0.7639090730932556
Energy: 0.797943961645163
Energy: 0.7280002099572713
Energy: 0.8385071941777494
Energy: 0.9327993931571859
Energy: 0.8385071941771052
Energy: 0.9724381569729108
Energy: 0.7567193601070721
Energy: 0.7003707359315003
Energy: 0.7567193601070721
Energy: 0.6921647597649567
Energy: 0.747829782478369
Energy: 0.8906615544178256
Energy: 0.7478297824764361
Energy: 0.6938935279286517
Energy: 0.8413852817394984
Energy: 0.7162720847015672
Energy: 0.8413852817414312
Energy: 0.6921628194157835
Energy: 0.7352332965059167
Energy: 0.8720682169655618
Energy: 0.7352332965078495
Energy: 0.6916392220189354
Energy: 0.7923180141760369
Energy: 0.8371141293564733
Energy: 0.7923180141779697
Energy: 0.9104297456853002
Energy: 0.8029375736900137
Energy: 0.6939418935073021
Energy: 0.8029375736893696
Energy: 0.7288279782536286
Energy: 0.7914940577904424
Energy: 0.7877999581849771
Energy: 0.791494057791731
Energy: 0.8610091043119825
Energy: 0.8249703931571795
Energy: 0.7421536381716467
Energy: 0.8249703931558909
Energy: 0.6661029980001296
Energy: 0.7718345589599844
Energy: 0.9369648384839251
Energy: 0.7718345589574074
Energy: 0.7650400938382899
Energy: 0.792154331445743
Energy: 0.7177533382250245
Energy: 0.7921543314450987
Energy: 0.7980407144113566
Energy: 0.8008866396262238
Energy: 0.7426774920638497
Energy: 0.8008866396255794
Energy: 0.7026791637973486
Energy: 0.877989465612143
Energy: 0.6999141273445103
Energy: 0.87798946561472
Energy: 0.8820321596957548
Energy: 0.7827349215218137
Energy: 0.6936199347409778
Energy: 0.782734921520525
Energy: 0.6958880717777682
Energy: 0.809584608475372
Energy: 0.886694197379931
Energy: 0.8095846084747277
Energy: 0.901596899240632
Energy: 0.8626252459042619
Energy: 0.7041798518256002
Energy: 0.8626252459029734
Energy: 0.6959054310372464
Energy: 0.809541418261542
Energy: 0.8826043188576715
Energy: 0.8095414182608978

minimum gb energy = 0.6397069828947584 eV
minimum distance =  2.55552043781148 Angstroms
sigma value = 29


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

Energy: 0.5741182323275702
Energy: 0.7976872588033508
Energy: 1.016321178409477
Energy: 0.7976872588035753
Energy: 0.8688440718046591
Energy: 0.6491194024065609
Energy: 0.7128049075368146
Energy: 0.6491194024063365
Energy: 0.8049185299777115
Energy: 0.6487671363214457
Energy: 0.7076363798807125
Energy: 0.6487671363214457
Energy: 0.6821883752059548
Energy: 0.7227588242005699
Energy: 0.7136424079818838
Energy: 0.7227588242009939
Energy: 0.5740149553017744
Energy: 0.7225702978646199
Energy: 0.8387651012295889
Energy: 0.7225702978648444
Energy: 0.7441540694182923
Energy: 0.7396793396185669
Energy: 0.744033984730864
Energy: 0.7396793396185669
Energy: 0.7433155725013435
Energy: 0.7225635908630244
Energy: 0.5740499349256423
Energy: 0.7225635908627999
Energy: 0.7137692640946712
Energy: 0.722681070511435
Energy: 0.6821745318701553
Energy: 0.7226810705116345
Energy: 0.7076193588207196
Energy: 0.6488234580830003
Energy: 0.8677966541155135
Energy: 0.6488234580830003

minimum gb energy = 0.5740149553017744 eV
minimum distance =  2.49958873849435 Angstroms
sigma value = 5


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

Energy: 0.5912285998671652
Energy: 0.6012406318010597
Energy: 0.9543168710844576
Energy: 0.6012406318004512
Energy: 0.8388304189663611
Energy: 0.8181424590189047
Energy: 0.640458439177632
Energy: 0.8181424590189047
Energy: 0.5859726062525129
Energy: 0.6616644053976446
Energy: 0.9066421214167197
Energy: 0.6616644053976446
Energy: 0.7580206012886224
Energy: 0.663997840980332
Energy: 0.5805163012734188
Energy: 0.6639978409797235
Energy: 0.5997334943504653
Energy: 0.7753849678981021
Energy: 0.6729702114054577
Energy: 0.7753849678974936
Energy: 0.7161892929681106
Energy: 0.6911659422117148
Energy: 0.5790462864861636
Energy: 0.6911659422123234
Energy: 0.5780180238730297
Energy: 0.6648086155766215
Energy: 0.5785681103251062
Energy: 0.6648086155766215
Energy: 0.5783972518265926
Energy: 0.6911949196999394
Energy: 0.6008677798590987
Energy: 0.6911949197005479
Energy: 0.5806027665866129
Energy: 0.7767708074099487
Energy: 0.6174578440224161
Energy: 0.7767708074099487
Energy: 0.5809213878963834
Energy: 0.623294816157696
Energy: 0.7639011856437267
Energy: 0.6232948161589131
Energy: 0.6790670788206852
Energy: 0.7372510689852391
Energy: 0.6229825662197246
Energy: 0.7372510689864561
Energy: 0.6230680992695039
Energy: 0.7020898607242064
Energy: 0.768894349674307
Energy: 0.7020898607235978
Energy: 0.7238719741622702
Energy: 0.6021636123357834
Energy: 0.6040988250500957
Energy: 0.6021636123357834
Energy: 0.5986179984999265
Energy: 0.7204977870523274
Energy: 0.8958058172276304
Energy: 0.7204977870517189
Energy: 0.770266607529719
Energy: 0.7744932706513855
Energy: 0.6231251147212589
Energy: 0.7744932706513855
Energy: 0.5802461607755645
Energy: 0.6017501515677566
Energy: 0.9999089080480765
Energy: 0.6017501515683651
Energy: 0.8975417749084394
Energy: 0.6940927137508885
Energy: 0.6223540707378811
Energy: 0.6940927137514973
Energy: 0.5856004532837717
Energy: 0.6616731516648361
Energy: 0.9112184482221747
Energy: 0.6616731516660532
Energy: 0.7544241321474459
Energy: 0.6655976778004072
Energy: 0.5780984872664751
Energy: 0.6655976778004072
Energy: 0.601761706247494
Energy: 0.7783472448031123
Energy: 0.5882023129627437
Energy: 0.7783472448049381
Energy: 0.7226679518511143
Energy: 0.7714309109727258
Energy: 0.5803360117388525
Energy: 0.7714309109727258
Energy: 0.6240825858696892
Energy: 0.6220443697518411
Energy: 0.5787893298498407
Energy: 0.622044369754884
Energy: 0.6235873571219274
Energy: 0.7338478170411554
Energy: 0.6316015935286188
Energy: 0.7338478170411554
Energy: 0.6014315969685217
Energy: 0.6039274271248464
Energy: 0.6221529462172768
Energy: 0.6039274271260635
Energy: 0.6012053157549518
Energy: 0.5970840479271758
Energy: 0.7061625103604877
Energy: 0.5970840479259587
Energy: 0.7405955803100539
Energy: 0.7193764701019637
Energy: 0.6009904203682802
Energy: 0.7193764701007466
Energy: 0.5814682200430475
Energy: 0.6838182746077442
Energy: 0.7611896748955287
Energy: 0.6838182746089614
Energy: 0.8311108067189495
Energy: 0.748356496974727
Energy: 0.580141796321829
Energy: 0.748356496974727
Energy: 0.6006911575675966
Energy: 0.7777269190552786
Energy: 0.9113015713847904
Energy: 0.7777269190546701
Energy: 0.8910525749265775
Energy: 0.6613991725484673
Energy: 0.5855541583532705
Energy: 0.6613991725490759
Energy: 0.5803194326662127
Energy: 0.5884752223615413
Energy: 0.8868987088493042
Energy: 0.5884752223682356
Energy: 0.8614415194403207
Energy: 0.7363945341581895
Energy: 0.6016936039683063
Energy: 0.7363945341575809
Energy: 0.5810109706925867
Energy: 0.7861725098888596
Energy: 0.7215869828313565
Energy: 0.7861725098876425

minimum gb energy = 0.5780180238730297 eV
minimum distance =  2.43449760956008 Angstroms
sigma value = 1


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

Energy: 0.57812721967992
Energy: 0.5788087611226272
Energy: 1.085792826603156
Energy: 0.5788087611226272
Energy: 0.7603364355610237
Energy: 0.8013855833870062
Energy: 0.5774085849274592
Energy: 0.8013855833870062
Energy: 0.5636687280607983
Energy: 0.6646735002330006
Energy: 0.9254848015783216
Energy: 0.6646735002330006
Energy: 0.7769758737384154
Energy: 0.6064523023963894
Energy: 0.5568862978029381
Energy: 0.606452302395548
Energy: 0.5882769326689035
Energy: 0.6854716847234542
Energy: 0.6837487327375099
Energy: 0.6854716847226129
Energy: 0.588684336515808
Energy: 0.7175242606034655
Energy: 0.5569305015116108
Energy: 0.7175242606034655
Energy: 0.5634452993032113
Energy: 0.6239723217626083
Energy: 0.580344782504701
Energy: 0.6239723217626083
Energy: 0.5635211742303119
Energy: 0.709929595870172
Energy: 0.61668611189629
Energy: 0.709929595870172
Energy: 0.5787175560951164
Energy: 0.575948197790918
Energy: 0.7154836085243972
Energy: 0.575948197790918
Energy: 0.5786538055625731
Energy: 0.5761839203940472
Energy: 0.7155682670222431
Energy: 0.5761839203940472
Energy: 0.5635366460614706
Energy: 0.7101038884801804
Energy: 0.6108117916298011
Energy: 0.7101038884801804
Energy: 0.563424989006709
Energy: 0.6240475666211732
Energy: 0.5835450749444818
Energy: 0.6240475666211732
Energy: 0.588589726419435
Energy: 0.717456172967455
Energy: 0.5568355756462783
Energy: 0.717456172967455
Energy: 0.5882683825031854
Energy: 0.6889451683283581
Energy: 0.6903939111702309
Energy: 0.6889451683283581
Energy: 0.7770415931425707
Energy: 0.6066379817056692
Energy: 0.556903834031881
Energy: 0.6066379817056692
Energy: 0.5636777019788674
Energy: 0.6647261017925509
Energy: 0.7331224065321491
Energy: 0.6647261017925509
Energy: 0.7603222129472773
Energy: 0.8013637311883386
Energy: 0.5773641731547937
Energy: 0.8013637311883386
Energy: 0.5781272196807424
Energy: 0.5788087611217857
Energy: 1.058730627078851
Energy: 0.5788087611217857
Energy: 0.7603364355601823
Energy: 0.8013855833878476
Energy: 0.5774085849274592
Energy: 0.8013855833870062
Energy: 0.5636687280607983
Energy: 0.6646735002330006
Energy: 0.9254848015774801
Energy: 0.6646735002321592
Energy: 0.776975873737574
Energy: 0.606452302395548
Energy: 0.5568862978037794
Energy: 0.6064523023963894
Energy: 0.5882769326689035
Energy: 0.6854716847226129
Energy: 0.6837487327366686
Energy: 0.6854716847226129
Energy: 0.5886843365149667
Energy: 0.7175242606034655
Energy: 0.5569305015116108
Energy: 0.7175242606034655
Energy: 0.5634452993032113
Energy: 0.6239723217626083
Energy: 0.5653680629082438
Energy: 0.6239723217617668

minimum gb energy = 0.5568355756462783 eV
minimum distance =  2.44327150708541 Angstroms
sigma value = 17


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

Energy: 0.5818987803661424
Energy: 0.5828848598326898
Energy: 1.082672890780387
Energy: 0.5828848598326898
Energy: 0.9201814339096905
Energy: 0.6785103172947784
Energy: 0.5749076077427768
Energy: 0.6785103172942581
Energy: 0.5664616860157269
Energy: 0.6317930129587506
Energy: 0.77017984213458
Energy: 0.6317930129587506
Energy: 0.8048749512521713
Energy: 0.6730431958966216
Energy: 0.5648122530723764
Energy: 0.6730431958961015
Energy: 0.580075075666272
Energy: 0.7019575101109549
Energy: 0.7233443832378563
Energy: 0.7019575101104348
Energy: 0.6337257603270391
Energy: 0.8052304363733638
Energy: 0.5713198093062578
Energy: 0.8052304363728437
Energy: 0.5919147419268087
Energy: 0.7060346293740112
Energy: 0.5779534904148425
Energy: 0.706034629373491
Energy: 0.6207815982078583
Energy: 0.6888190802573211
Energy: 0.5709007029988681
Energy: 0.6888190802578411
Energy: 0.5773359179043517
Energy: 0.6789593502482903
Energy: 0.6283767124819738
Energy: 0.6789593502472501
Energy: 0.5770974770002917
Energy: 0.7656870883423034
Energy: 0.5777610709313109
Energy: 0.7656870883428235
Energy: 0.5630893006121603
Energy: 0.786345731842336
Energy: 0.5786113986006598
Energy: 0.7863457318418159
Energy: 0.5628071563174674
Energy: 0.5999960534396741
Energy: 0.5643805094825738
Energy: 0.5999960534422746
Energy: 0.5948020047130589
Energy: 0.7992214947175325
Energy: 0.5685235224783802
Energy: 0.7992214947164924
Energy: 0.5925769816972352
Energy: 0.7105791415772252
Energy: 0.5831336227200841
Energy: 0.7105791415756649
Energy: 0.7122549205238285
Energy: 0.7542078600981436
Energy: 0.5881164324643287
Energy: 0.7542078600981436
Energy: 0.5774578733728193
Energy: 0.6907540135678908
Energy: 0.7251563557563534
Energy: 0.6907540135668507
Energy: 0.6188387078699514
Energy: 0.6730319627719497
Energy: 0.5693546805114573
Energy: 0.6730319627714297
Energy: 0.5632179565227126
Energy: 0.6367168883263925
Energy: 0.7549276253347191
Energy: 0.6367168883274327
Energy: 0.8850443579177304
Energy: 0.7844365212372517
Energy: 0.5745374328398896
Energy: 0.7844365212377717
Energy: 0.5680355018699808
Energy: 0.5779428628954506
Energy: 0.8065663906892968
Energy: 0.5779428628938904
Energy: 0.8906247042376456
Energy: 0.6720860617689166
Energy: 0.6148882695968115
Energy: 0.6720860617694366
Energy: 0.6151814155255537
Energy: 0.6936983610277491
Energy: 0.9235238816067537
Energy: 0.693698361027229
Energy: 0.7891360303169772
Energy: 0.6759662210019064
Energy: 0.569720365345846
Energy: 0.6759662210039868
Energy: 0.574948368989736
Energy: 0.6945818396057152
Energy: 0.8142689081526733
Energy: 0.6945818396051949
Energy: 0.6443166628600718
Energy: 0.6362236102721203
Energy: 0.5644471363407494
Energy: 0.6362236102695198
Energy: 0.5680811955997891
Energy: 0.6131154040201882
Energy: 0.8274399404654118
Energy: 0.6131154040227884
Energy: 0.6447621655846858
Energy: 0.8611204111857701
Energy: 0.578135696028881
Energy: 0.8611204111862903
Energy: 0.5829811118892126
Energy: 0.7536221890383846
Energy: 0.5928026628770222
Energy: 0.7536221890378646
Energy: 0.5831068709507852
Energy: 0.7110948360695993
Energy: 0.5914442457088368
Energy: 0.7110948360701194
Energy: 0.5678243453627017
Energy: 0.8381042414282674
Energy: 0.6702889237803124
Energy: 0.8381042414293075
Energy: 0.5645756134396618
Energy: 0.6111879895637917
Energy: 0.5627307302444987
Energy: 0.6111879895601512
Energy: 0.5792521508520553
Energy: 0.7856944087890275
Energy: 0.5631904407129431
Energy: 0.7856944087879874
Energy: 0.5789983520591718
Energy: 0.7675007616788996
Energy: 0.6528336945838713
Energy: 0.7675007616788996
Energy: 0.7597498494910414
Energy: 0.6788656199119264
Energy: 0.5688553610391113
Energy: 0.6788656199114065
Energy: 0.5705201685528246
Energy: 0.6941887058761731
Energy: 0.6212265392766666
Energy: 0.6941887058746129
Energy: 0.5798059895219415
Energy: 0.7054920199415503
Energy: 0.5910900129258944
Energy: 0.7054920199431105
Energy: 0.5697352578365013
Energy: 0.8016228530949283
Energy: 0.6333802842811278
Energy: 0.8016228530954483
Energy: 0.9031691838704619
Energy: 0.7042281260576269
Energy: 0.5776612906003168
Energy: 0.7042281260576269

minimum gb energy = 0.5627307302444987 eV
minimum distance =  2.43957234710033 Angstroms
sigma value = 89


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

Energy: 0.5067436846893769
Energy: 0.5077852185542522
Energy: 1.1829922808987166
Energy: 0.5077852185528914
Energy: 0.507161343617976
Energy: 0.5242276037556098
Energy: 0.5269008061345191
Energy: 0.5242276037542489
Energy: 0.5268179273100024
Energy: 0.715977635184108
Energy: 0.925630713031338
Energy: 0.715977635184108
Energy: 0.7578965958909647
Energy: 0.5242390783136098
Energy: 0.5268018976495964
Energy: 0.5242390783136098
Energy: 0.526956252238317
Energy: 0.6434414526816492
Energy: 0.9048003454403178
Energy: 0.6434414526816492
Energy: 0.5269420645588994
Energy: 0.5077915318750078
Energy: 0.506987388771606
Energy: 0.5077915318763687
Energy: 0.5268979453277381
Energy: 0.5939213569788767
Energy: 0.5080475783993483
Energy: 0.5939213569788767
Energy: 0.5424736710573302
Energy: 0.6891246669444828
Energy: 0.5268017665913438
Energy: 0.6891246669444828
Energy: 0.5269915106047729
Energy: 0.5503988199567994
Energy: 0.5975624411441528
Energy: 0.5503988199567994
Energy: 0.5241971070804667
Energy: 0.6434477639825035
Energy: 0.5269796561992931
Energy: 0.6434477639825035
Energy: 0.5071178863348973
Energy: 0.5241528608268039
Energy: 0.5269341336035707
Energy: 0.524152860825443
Energy: 0.5078222833364847
Energy: 0.5928170374219904
Energy: 0.5268636796439967
Energy: 0.5928170374219904
Energy: 0.5268973740888729
Energy: 0.6436991059358611
Energy: 0.5687727648252593
Energy: 0.6436991059372219
Energy: 0.5270770159003749
Energy: 0.5497475439381295
Energy: 0.5270712624934482
Energy: 0.5497475439394903
Energy: 0.542991073618962
Energy: 0.6436983387842988
Energy: 0.526873242346022
Energy: 0.6436983387842988

minimum gb energy = 0.5067436846893769 eV
minimum distance =  2.48099802285612 Angstroms
sigma value = 13


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

Energy: 0.5436063466595551
Energy: 0.6993006049706093
Energy: 0.9193499959928664
Energy: 0.6993006049700389
Energy: 0.8023681244751718
Energy: 0.6332112001992249
Energy: 0.5365366946478959
Energy: 0.6332112002003657
Energy: 0.5328600952698042
Energy: 0.6642161096770606
Energy: 0.9545348639849663
Energy: 0.6642161096747791
Energy: 0.7379425928774753
Energy: 0.6367432672571566
Energy: 0.5308962880568505
Energy: 0.6367432672548751
Energy: 0.5390984070787237
Energy: 0.7252670904955111
Energy: 0.9196316662646714
Energy: 0.7252670904972222
Energy: 0.536874883280941
Energy: 0.5883777500195064
Energy: 0.5353570713411362
Energy: 0.5883777500177954
Energy: 0.5387971952808848
Energy: 0.7409914088448155
Energy: 0.8726598248357261
Energy: 0.7409914088436749
Energy: 0.5455858920608537
Energy: 0.6331406208768104
Energy: 0.535415818617187
Energy: 0.6331406208768104
Energy: 0.5388531342510642
Energy: 0.7373001804483265
Energy: 0.6352327965915407
Energy: 0.7373001804471858
Energy: 0.6092343517808745
Energy: 0.6989090525773417
Energy: 0.5308571093357213
Energy: 0.6989090525801935
Energy: 0.5336817077823846
Energy: 0.6399477389321928
Energy: 0.5622896698389834
Energy: 0.6399477389305075
Energy: 0.6481178984490481
Energy: 0.7183082419267836
Energy: 0.536788886158114
Energy: 0.718308241924502
Energy: 0.5456438978675366
Energy: 0.771630881822201
Energy: 0.5629769815397507
Energy: 0.7716308818227713
Energy: 0.6246801713470993
Energy: 0.7422086016815623
Energy: 0.5366162870235507
Energy: 0.7422086016809919
Energy: 0.5336732627832047
Energy: 0.6679940593294196
Energy: 0.5675076848942074
Energy: 0.6679940593322715
Energy: 0.531978001560419
Energy: 0.6152756804977293
Energy: 0.5296790259518813
Energy: 0.6152756804954479
Energy: 0.5393942278948219
Energy: 0.8070549783488122
Energy: 0.5298333746914585
Energy: 0.807054978348242
Energy: 0.559877620546366
Energy: 0.7732371197823358
Energy: 0.5333474004323581
Energy: 0.7732371197806247
Energy: 0.5394940949478162
Energy: 0.7375472924814684
Energy: 0.5332883930374683
Energy: 0.73754729248375
Energy: 0.5396361709172608
Energy: 0.7374128817909025
Energy: 0.5334271076072722
Energy: 0.7374128817925878
Energy: 0.5598971633396718
Energy: 0.7733892154323697
Energy: 0.5333658368232015
Energy: 0.7733892154323697
Energy: 0.5394870235057173
Energy: 0.8071444611010195
Energy: 0.529674016629244
Energy: 0.8071444610998788
Energy: 0.531323730294224
Energy: 0.6155417302306108
Energy: 0.5296826352460552
Energy: 0.6155417302328922
Energy: 0.5336572425194346
Energy: 0.6679038300920873
Energy: 0.566074118015963
Energy: 0.6679038300932281
Energy: 0.624345646426162
Energy: 0.7417944330276626
Energy: 0.5361639785749494
Energy: 0.741794433029944
Energy: 0.5460757777515962
Energy: 0.7717244135427513
Energy: 0.5606656186946026
Energy: 0.7717244135433218
Energy: 0.647810015971501
Energy: 0.718571378432854
Energy: 0.5368634939710581
Energy: 0.7185713784345651
Energy: 0.5337469787013785
Energy: 0.6400835475190448
Energy: 0.5326581877459128
Energy: 0.6400835475173338
Energy: 0.6091484306940563
Energy: 0.6987982333422685
Energy: 0.5308162050185631
Energy: 0.6987982333422685
Energy: 0.538620772404318
Energy: 0.7370778391401789
Energy: 0.5783948786460698
Energy: 0.7370778391401789
Energy: 0.5455859058438612
Energy: 0.6332004163846002
Energy: 0.535563402751832
Energy: 0.6332004163863113
Energy: 0.5387713636807575
Energy: 0.7410824260257276
Energy: 0.6256449099838722
Energy: 0.7410824260251572
Energy: 0.5370104474680114
Energy: 0.5887958245758085
Energy: 0.535434614533709
Energy: 0.5887958245769492
Energy: 0.539447293851514
Energy: 0.725523283833312
Energy: 0.6482277308889333
Energy: 0.725523283833312
Energy: 0.7381346799658075
Energy: 0.6340791026835799
Energy: 0.5308319527590054
Energy: 0.6340791026830096

minimum gb energy = 0.529674016629244 eV
minimum distance =  2.3818894092942 Angstroms
sigma value = 37


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

Energy: 0.5094376626126251
Energy: 0.5093621850311311
Energy: 1.1170640801857947
Energy: 0.5093621850321124
Energy: 0.7794446937765511
Energy: 0.6349447179157394
Energy: 0.5055015351362094
Energy: 0.6349447179157394
Energy: 0.4935656250588293
Energy: 0.6679308037863079
Energy: 0.9502754004533396
Energy: 0.6679308037863079
Energy: 0.4939607699129685
Energy: 0.6195106469746413
Energy: 0.5055922680949207
Energy: 0.6195106469736601
Energy: 0.5057419813881742
Energy: 0.6194170845041067
Energy: 0.8964649013219487
Energy: 0.6194170845041067
Energy: 0.5373523434699098
Energy: 0.6145668174637655
Energy: 0.4935823369798324
Energy: 0.6145668174637655
Energy: 0.505585950151774
Energy: 0.726535673334421
Energy: 0.5783673306452163
Energy: 0.7265356733354024
Energy: 0.5060299692585885
Energy: 0.5094129793625385
Energy: 0.5106500621504827
Energy: 0.5094129793615572
Energy: 0.5056711859859491
Energy: 0.6148029516909709
Energy: 0.7091623305407205
Energy: 0.6148029516909709
Energy: 0.6880656939358789
Energy: 0.6958952931444431
Energy: 0.49358962594107053
Energy: 0.6958952931444431
Energy: 0.5054243833304904
Energy: 0.7244013544530417
Energy: 0.4942046214186897
Energy: 0.7244013544530417
Energy: 0.600063122131055
Energy: 0.6193554520563325
Energy: 0.5055529860457992
Energy: 0.6193554520563325
Energy: 0.4936028964657586
Energy: 0.6143094180953299
Energy: 0.5241719984982938
Energy: 0.6143094180953299
Energy: 0.578269478339828
Energy: 0.7887990246846301
Energy: 0.505597585528568
Energy: 0.7887990246846301
Energy: 0.5094303343327884
Energy: 0.5338316748104612
Energy: 0.5059828609823661
Energy: 0.5338316748104612
Energy: 0.5101310750688792
Energy: 0.6146071563284159
Energy: 0.5053642155705766
Energy: 0.6146071563284159
Energy: 0.49358701350447465
Energy: 0.6957229221434297
Energy: 0.5436430934385383
Energy: 0.6957229221434297
Energy: 0.49380473883547077
Energy: 0.8094041039261133
Energy: 0.5055531512847362
Energy: 0.8094041039261133
Energy: 0.5054391170805796
Energy: 0.6197914170782733
Energy: 0.505441234091675
Energy: 0.6197914170782733
Energy: 0.5054345818198205
Energy: 0.6145127232019607
Energy: 0.4937645076433249
Energy: 0.6145127232019607

minimum gb energy = 0.4935656250588293 eV
minimum distance =  2.49917907717594 Angstroms
sigma value = 25


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

Energy: 0.49561860189225904
Energy: 0.6565988736287248
Energy: 1.0500627727925484
Energy: 0.6565988736287248
Energy: 0.8982398267034145
Energy: 0.6206998085062495
Energy: 0.4774679621261395
Energy: 0.6206998085070159
Energy: 0.47312412582407815
Energy: 0.47402843291116314
Energy: 0.8509012725321399
Energy: 0.4740284329119294
Energy: 0.5695537954946379
Energy: 0.6228815665197226
Energy: 0.47747303882641395
Energy: 0.62288156651819
Energy: 0.4765459878178303
Energy: 0.6226586806762044
Energy: 1.016915736301058
Energy: 0.6226586806769706
Energy: 0.47026851441960554
Energy: 0.61965675159613
Energy: 0.47740852974364295
Energy: 0.6196567515968963
Energy: 0.4775787067728853
Energy: 0.5637141654809033
Energy: 0.5783587815787813
Energy: 0.5637141654809033
Energy: 0.4783937405523483
Energy: 0.5430929752399676
Energy: 0.4744716064331531
Energy: 0.5430929752407337
Energy: 0.4766419751477092
Energy: 0.6233564153829393
Energy: 0.8272391572137557
Energy: 0.6233564153837056
Energy: 0.4760288976561611
Energy: 0.6449331358883449
Energy: 0.49684727108413657
Energy: 0.6449331358883449
Energy: 0.4775886638268019
Energy: 0.5634151451065189
Energy: 0.5772522629732635
Energy: 0.5634151451072853
Energy: 0.6294689001816289
Energy: 0.5978071614879705
Energy: 0.47440192731276376
Energy: 0.5978071614879705
Energy: 0.4765589844142201
Energy: 0.626117290215531
Energy: 0.6012661562572923
Energy: 0.6261172902162971
Energy: 0.5878922011484836
Energy: 0.6223830829413884
Energy: 0.4774167068823709
Energy: 0.6223830829413884
Energy: 0.4772209651412348
Energy: 0.562571879820307
Energy: 0.4704923238009183
Energy: 0.562571879820307
Energy: 0.5826940699211882
Energy: 0.6660779459895093
Energy: 0.4772106613553458
Energy: 0.6660779459895093
Energy: 0.4734856465383428
Energy: 0.5437979054526147
Energy: 0.47896234534961907
Energy: 0.5437979054541473
Energy: 0.5320520169136973
Energy: 0.625880379378022
Energy: 0.4773706497134345
Energy: 0.6258803793787882
Energy: 0.4959981033938229
Energy: 0.6450903457202647
Energy: 0.4760354764257397
Energy: 0.6450903457202647
Energy: 0.57770422020887
Energy: 0.6779084726021224
Energy: 0.47725866095617153
Energy: 0.6779084726021224
Energy: 0.47355038742294997
Energy: 0.5968710920342779
Energy: 0.4945358087531096
Energy: 0.5968710920342779
Energy: 0.4736713938884931
Energy: 0.6571003714703324
Energy: 0.4773855009006839
Energy: 0.6571003714703324
Energy: 0.4778717582176835
Energy: 0.6223615346522641
Energy: 0.5879343606666059
Energy: 0.6223615346514978
Energy: 0.4708574211796332
Energy: 0.6527704167946801
Energy: 0.4768367527596051
Energy: 0.6527704167946801
Energy: 0.4767578610663549
Energy: 0.7109300010631356
Energy: 0.5821980843052839
Energy: 0.7109300010616031
Energy: 0.47671788550381367
Energy: 0.5437561132076346
Energy: 0.4734715866382778
Energy: 0.543756113214531

minimum gb energy = 0.47026851441960554 eV
minimum distance =  2.41188032610264 Angstroms
sigma value = 41


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

Energy: 0.5274999186826825
Energy: 0.5278081730855099
Energy: 0.9643971823377993
Energy: 0.527808173086138
Energy: 0.8764230547146139
Energy: 0.562590181867236
Energy: 0.4473517605889413
Energy: 0.5625901818666079
Energy: 0.45424765410242607
Energy: 0.6001445388165414
Energy: 0.9747306051493969
Energy: 0.6001445388165414
Energy: 0.521604099014766
Energy: 0.5626958944783735
Energy: 0.4471784158921814
Energy: 0.5626958944783735
Energy: 0.44396830578983765
Energy: 0.5344521585329673
Energy: 0.9949374637919723
Energy: 0.5344521585323392
Energy: 0.4823950636709345
Energy: 0.5623976696300179
Energy: 0.44725822688590433
Energy: 0.5623976696293896
Energy: 0.44631158928178194
Energy: 0.5618768751971244
Energy: 0.5373461642860652
Energy: 0.5618768751977525
Energy: 0.44499007940599045
Energy: 0.49128632433044617
Energy: 0.44498980493891915
Energy: 0.4912863243323309
Energy: 0.44739443484474006
Energy: 0.5955195128679492
Energy: 0.6148088720241397
Energy: 0.5955195128685775
Energy: 0.5170598857611246
Energy: 0.5928390405610285
Energy: 0.45496401967849553
Energy: 0.5928390405597721
Energy: 0.4460882866727264
Energy: 0.5629658895378864
Energy: 0.7789114983353358
Energy: 0.5629658895378864
Energy: 0.4484189570928273
Energy: 0.5279651956161853
Energy: 0.5266186943138526
Energy: 0.5279651956168133
Energy: 0.44749369498740016
Energy: 0.6035753820471841
Energy: 0.7914097280871466
Energy: 0.6035753820465559
Energy: 0.5713812290179004
Energy: 0.6636452685662194
Energy: 0.45491851118898674
Energy: 0.6636452685662194
Energy: 0.44620826925126267
Energy: 0.5629889591099239
Energy: 0.7093234265206475
Energy: 0.5629889591092955
Energy: 0.5465553895882591
Energy: 0.5356834770365355
Energy: 0.4448767365693491
Energy: 0.5356834770384201
Energy: 0.44716536169405535
Energy: 0.6030165447569639
Energy: 0.507020941282424
Energy: 0.6030165447569639
Energy: 0.5375292688977444
Energy: 0.6719185698303466
Energy: 0.4472680015684724
Energy: 0.6719185698303466
Energy: 0.4462552482877738
Energy: 0.49154796657986366
Energy: 0.4442387281454699
Energy: 0.4915479665817484
Energy: 0.5268589649084061
Energy: 0.595970231242389
Energy: 0.44648543596866747
Energy: 0.595970231242389
Energy: 0.4569757341934709
Energy: 0.6349920242068925
Energy: 0.45097206576388554
Energy: 0.6349920242068925
Energy: 0.5945460502618073
Energy: 0.6706184046366945
Energy: 0.4467255457239541
Energy: 0.6706184046366945
Energy: 0.5279195647760372
Energy: 0.5276438018932356
Energy: 0.4479795148960376
Energy: 0.5276438018957484
Energy: 0.5290936232015875
Energy: 0.6043969634447971
Energy: 0.44681083467649596
Energy: 0.6043969634447971
Energy: 0.4568959344107704
Energy: 0.663282089352808
Energy: 0.4627634283676158
Energy: 0.6632820893521798
Energy: 0.5217444692878943
Energy: 0.6767193481858992
Energy: 0.44677295902403596
Energy: 0.6767193481858992
Energy: 0.44615663366150243
Energy: 0.5750797276771201
Energy: 0.546685825760301
Energy: 0.5750797276764921
Energy: 0.4447886277928104
Energy: 0.6040977189230204
Energy: 0.4467054489399407
Energy: 0.6040977189230204
Energy: 0.44746743160266494
Energy: 0.707254533709385
Energy: 0.5384928702164664
Energy: 0.707254533709385
Energy: 0.4455947344720005
Energy: 0.6172583659660079
Energy: 0.4438437109401538
Energy: 0.6172583659672642
Energy: 0.4463558887208417
Energy: 0.6306580596420485
Energy: 0.528858996996539
Energy: 0.6306580596414202
Energy: 0.44829888548275854
Energy: 0.6350006699520226
Energy: 0.4553183956955196
Energy: 0.6350006699520226

minimum gb energy = 0.4438437109401538 eV
minimum distance =  2.54334675164034 Angstroms
sigma value = 15


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

Energy: 0.49182680518661887
Energy: 0.6248105067855311
Energy: 0.9980802381604206
Energy: 0.6248105067849988
Energy: 0.8748784959071345
Energy: 0.5520008528315774
Energy: 0.42634319656732184
Energy: 0.5520008528299809
Energy: 0.43559143352993124
Energy: 0.48412667412929605
Energy: 0.7815604642394681
Energy: 0.48412667412929605
Energy: 0.8732030265842051
Energy: 0.5455109206213724
Energy: 0.4263213844026065
Energy: 0.5455109206219044
Energy: 0.42394747953246165
Energy: 0.6262425501172518
Energy: 0.9766496296671102
Energy: 0.6262425501177841
Energy: 0.48156064857505787
Energy: 0.5899253531615509
Energy: 0.4265002382618636
Energy: 0.5899253531631475
Energy: 0.42626938331955644
Energy: 0.4879796200500613
Energy: 0.7214304609926651
Energy: 0.487979620049529
Energy: 0.45410884517730754
Energy: 0.48825409001604825
Energy: 0.42631223485110015
Energy: 0.48825409001604825
Energy: 0.4276415908900395
Energy: 0.6185110395508752
Energy: 0.5834599665397652
Energy: 0.6185110395508752
Energy: 0.4215507090668386
Energy: 0.583554957653716
Energy: 0.4246060735305837
Energy: 0.5835549576531838
Energy: 0.4259866425223335
Energy: 0.5450687184360319
Energy: 0.589158565398894
Energy: 0.5450687184333709
Energy: 0.4821102830844485
Energy: 0.5206098084341751
Energy: 0.435950758733439
Energy: 0.5206098084352395
Energy: 0.427790598344345
Energy: 0.6231921948288712
Energy: 0.8017990646954274
Energy: 0.623192194827807
Energy: 0.42352297709673103
Energy: 0.6071643257680684
Energy: 0.49132944323380123
Energy: 0.607164325766472
Energy: 0.42594356173313613
Energy: 0.5528506013814296
Energy: 0.7586323917899519
Energy: 0.5528506013803653
Energy: 0.5258639441822138
Energy: 0.5204308706363169
Energy: 0.4359423830650802
Energy: 0.5204308706389779
Energy: 0.4276720940589263
Energy: 0.6167477463729844
Energy: 0.554691454989311
Energy: 0.6167477463729844
Energy: 0.5091476655378101
Energy: 0.608358409527003
Energy: 0.42453596769028473
Energy: 0.6083584095275353
Energy: 0.42599716355821104
Energy: 0.5520261115900953
Energy: 0.4816540193183408
Energy: 0.5520261115890309
Energy: 0.5021775020189058
Energy: 0.5274975315780511
Energy: 0.42632937044812275
Energy: 0.5274975315759225
Energy: 0.4277794251793378
Energy: 0.5593696128674344
Energy: 0.47107050056969746
Energy: 0.55936961286637
Energy: 0.49386007801043014
Energy: 0.6051064089559178
Energy: 0.4293175939933566
Energy: 0.6051064089548533
Energy: 0.42597327962146303
Energy: 0.582882974305369
Energy: 0.4234275402631162
Energy: 0.5828829743037726
Energy: 0.5570462777605328
Energy: 0.5858779878798714
Energy: 0.42633739378447105
Energy: 0.5858779878804036
Energy: 0.4371641130260385
Energy: 0.5951416258018186
Energy: 0.426523300998793
Energy: 0.5951416258012864
Energy: 0.5424686441564764
Energy: 0.6105587132143724
Energy: 0.4295964591707825
Energy: 0.6105587132133081
Energy: 0.4924257570080072
Energy: 0.606913533859512
Energy: 0.4230922117360161
Energy: 0.606913533859512
Energy: 0.59580887355479
Energy: 0.6142736043966384
Energy: 0.42641171507431075
Energy: 0.6142736043966384
Energy: 0.43726564075236624
Energy: 0.6158115668914202
Energy: 0.43180985584014275
Energy: 0.6158115668908881
Energy: 0.4845328603829493
Energy: 0.6196704574299534
Energy: 0.4297613375584913
Energy: 0.6196704574288892
Energy: 0.4260095316011326
Energy: 0.6081387787424329
Energy: 0.5092073326010302
Energy: 0.6081387787413687
Energy: 0.4816011010491828
Energy: 0.5519898424392454
Energy: 0.4265984816319811
Energy: 0.5519898424403099
Energy: 0.42753814078011987
Energy: 0.6154372231142992
Energy: 0.5039492091832404
Energy: 0.6154372231153634
Energy: 0.42044136926432574
Energy: 0.5585991155713964
Energy: 0.4297526904960979
Energy: 0.5585991155708641
Energy: 0.4245318518423753
Energy: 0.615610325696699
Energy: 0.49421546656526716
Energy: 0.6156103256972312
Energy: 0.42333226175300515
Energy: 0.5890892705439893
Energy: 0.4280358546314146
Energy: 0.589089270543457
Energy: 0.4276872609634899
Energy: 0.6518437765758396
Energy: 0.5608109072154553
Energy: 0.6518437765753076

minimum gb energy = 0.42044136926432574 eV
minimum distance =  2.46805968445589 Angstroms
sigma value = 85


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

Energy: 0.4952373324846744
Energy: 0.5949654023711594
Energy: 0.40621137689107295
Energy: 0.5949654023711594
Energy: 0.8572081902044199
Energy: 0.5060437722961106
Energy: 0.3925626114467876
Energy: 0.5060437722951874
Energy: 0.4763341206424234
Energy: 0.47442724853092166
Energy: 0.7146481717105927
Energy: 0.47442724853230633
Energy: 0.8650295104195822
Energy: 0.508615517993843
Energy: 0.3926833965062866
Energy: 0.5086155179947661
Energy: 0.42016528870488906
Energy: 0.5234320602089958
Energy: 0.6640102364953016
Energy: 0.5234320602085343
Energy: 0.5252089540503151
Energy: 0.48395861763333214
Energy: 0.3927197294356416
Energy: 0.4839586176328706
Energy: 0.40503838000527503
Energy: 0.45790875673647
Energy: 0.7167648661252537
Energy: 0.4579087567360084
Energy: 0.4610789136094531
Energy: 0.525380908486958
Energy: 0.3957453827390141
Energy: 0.5253809084864964
Energy: 0.3952419205629445
Energy: 0.4788238522908099
Energy: 0.4960891922471295
Energy: 0.478823852291733
Energy: 0.4258848462680677
Energy: 0.4547075287550888
Energy: 0.4052611803101233
Energy: 0.4547075287555504
Energy: 0.39250241195434743
Energy: 0.5040731080197043
Energy: 0.5256003082026994
Energy: 0.5040731080197043
Energy: 0.40103373066140535
Energy: 0.5489200627021956
Energy: 0.4204061759230345
Energy: 0.5489200627012725
Energy: 0.39223636670001094
Energy: 0.4786382188105651
Energy: 0.5888610021697198
Energy: 0.4786382188110266
Energy: 0.3974216188130485
Energy: 0.47455700129474365
Energy: 0.4739661949459097
Energy: 0.47455700129520517
Energy: 0.39257664973609363
Energy: 0.5087621400545098
Energy: 0.8579420829802814
Energy: 0.5087621400558945
Energy: 0.3927567588140647
Energy: 0.5584092878500697
Energy: 0.4671967877536115
Energy: 0.5584092878496082
Energy: 0.3922243995452651
Energy: 0.4811111862909109
Energy: 0.8544822181541333
Energy: 0.4811111862909109
Energy: 0.4810428532997958
Energy: 0.47446283293294533
Energy: 0.4739674596359004
Energy: 0.4744628329334069
Energy: 0.3925912735612157
Energy: 0.5088131084992942
Energy: 0.7061648521079209
Energy: 0.5088131084997557
Energy: 0.4626698354575685
Energy: 0.5602901574978808
Energy: 0.420419616996833
Energy: 0.5602901574983423
Energy: 0.39313054553844073
Energy: 0.45552375070082873
Energy: 0.525101837295765
Energy: 0.45552375070129036
Energy: 0.4719750680596739
Energy: 0.4547747782916119
Energy: 0.40531218070932923
Energy: 0.4547747782920734
Energy: 0.3954002467893772
Energy: 0.5254348180589423
Energy: 0.46127375841668544
Energy: 0.5254348180589423
Energy: 0.4648114117845948
Energy: 0.55496166588134
Energy: 0.39590131038632387
Energy: 0.5549616658808786
Energy: 0.40657341230500155
Energy: 0.4384684867468558
Energy: 0.4256362032638317
Energy: 0.43846848674731737
Energy: 0.5255880386628491
Energy: 0.5039592593048662
Energy: 0.39245871996575676
Energy: 0.5039592593044047
Energy: 0.42150862921886506
Energy: 0.5486707246030481
Energy: 0.401332955442051
Energy: 0.5486707246035096
Energy: 0.5262028386782939
Energy: 0.5853059469818007
Energy: 0.39266015765157714
Energy: 0.5853059469808776
Energy: 0.474626364741227
Energy: 0.474821689452244
Energy: 0.4107191836741715
Energy: 0.4748216894527056
Energy: 0.6169732006091856
Energy: 0.5089914316962456
Energy: 0.39237019007238527
Energy: 0.5089914316957842
Energy: 0.4938035295110013
Energy: 0.5798013108281803
Energy: 0.3929045278668409
Energy: 0.5798013108272572
Energy: 0.5637214580018329
Energy: 0.5877628964997651
Energy: 0.392598834272636
Energy: 0.5877628965002267
Energy: 0.47457347654428295
Energy: 0.47491046594543124
Energy: 0.40136231524748145
Energy: 0.47491046594450814
Energy: 0.5763467648424915
Energy: 0.5088862199747649
Energy: 0.3924999223741465
Energy: 0.5088862199743033
Energy: 0.42116185633606473
Energy: 0.5600244660181583
Energy: 0.4627355518806619
Energy: 0.5600244660181583
Energy: 0.4632883610959926
Energy: 0.5528641099017142
Energy: 0.3939785393151755
Energy: 0.5528641099012527
Energy: 0.40654532215329164
Energy: 0.4548336436023465
Energy: 0.47180578249707505
Energy: 0.454833643601885
Energy: 0.4611093114245757
Energy: 0.5251556750442083
Energy: 0.39503221210348693
Energy: 0.52515567504467
Energy: 0.3954434541711092
Energy: 0.5559109532157072
Energy: 0.4647234632388575
Energy: 0.5559109532157072
Energy: 0.39875721496189964
Energy: 0.5450523914854478
Energy: 0.4051623175446354
Energy: 0.5450523914859094
Energy: 0.39235371024709986
Energy: 0.5036826370838028
Energy: 0.525551225319454
Energy: 0.5036826370842644
Energy: 0.40095019563065076
Energy: 0.548514954903254
Energy: 0.42041884520287154
Energy: 0.5485149549037155
Energy: 0.3922916247732893
Energy: 0.6043125557968633
Energy: 0.5268673245234824
Energy: 0.6043125557964016

minimum gb energy = 0.3922243995452651 eV
minimum distance =  2.46682204309368 Angstroms
sigma value = 113


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

Energy: 0.011797255738220531
Energy: 0.013437237375928935
Energy: 0.7261953844718819
Energy: 0.013437237375928935
Energy: 0.7261728369461877
Energy: 0.756831731824211
Energy: 0.21919069054852797
Energy: 0.756831731823876
Energy: 0.011797255738220531
Energy: 0.01343723737557411
Energy: 0.7261953844722366
Energy: 0.013437237376264047
Energy: 0.7261728369458527
Energy: 0.756831731823876
Energy: 0.21919069054783802
Energy: 0.756831731823876
Energy: 0.011797255738220531
Energy: 0.01343723737557411
Energy: 0.7261953844718819
Energy: 0.013437237375928935
Energy: 0.7261728369461877
Energy: 0.756831731824211
Energy: 0.21919069054852797
Energy: 0.756831731824211

minimum gb energy = 0.011797255738220531 eV
minimum distance =  2.77527762850395 Angstroms
sigma value = 1