Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453791858485
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.01901293405337348
Energy: 1.2756412579855938
Energy: 0.01901293405337348
Energy: 1.2756412579858607
Energy: 0.01901293405337348
Energy: 1.2756412579855938
Energy: 1.2756412579858607
Energy: 0.01998906911789212
Energy: 1.2756412579855938
Energy: 0.019989069117387667
Energy: 1.2756412579855938
Energy: 0.019989069117387667
Energy: 0.01901293405337348
Energy: 1.2756412579858607
Energy: 0.01901293405337348
Energy: 1.2756412579858607
Energy: 0.01901293405337348
Energy: 1.2756412579858607
Energy: 1.2756412579858607
Energy: 0.019989069117387667
Energy: 1.2756412579855938
Energy: 0.01998906911765473
Energy: 1.2756412579855938
Energy: 0.01998906911765473
Energy: 0.01901293405337348
Energy: 1.2756412579858607
Energy: 0.01901293405337348
Energy: 1.2756412579855938
Energy: 0.01901293405337348
Energy: 1.2756412579855938
Energy: 1.2756412579858607
Energy: 0.019989069118426246
Energy: 1.2756412579858607
Energy: 0.019989069117120603
Energy: 1.2756412579855938
Energy: 0.019989069118159185

minimum gb energy = 0.01901293405337348 eV
minimum distance =  2.76666177381809 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.268736212310838
Energy: 1.8780806111214017
Energy: 2.268736212310838
Energy: 1.8780806111207589
Energy: 2.2687362123114805
Energy: 1.8780806111214017
Energy: 2.1388349921957683
Energy: 1.6076489491290409
Energy: 2.1388349921957683
Energy: 1.6076489491290409
Energy: 2.1388349921957683
Energy: 1.6076489491290409
Energy: 1.8890720552933449
Energy: 2.067195890236527
Energy: 1.8890720552933449
Energy: 2.067195890236527
Energy: 1.8890720552927016
Energy: 2.067195890236527
Energy: 2.1878354076090827
Energy: 1.7513528261606843
Energy: 2.1878354076090827
Energy: 1.7513528261606843
Energy: 2.1878354076084396
Energy: 1.7513528261606843
Energy: 1.861175572316887
Energy: 1.9606020211553477
Energy: 1.861175572316887
Energy: 1.960602021154062
Energy: 1.861175572316887
Energy: 1.9606020211553477
Energy: 2.0748579840230534
Energy: 1.9512722877391384
Energy: 2.0748579840230534
Energy: 1.9512722877391384
Energy: 2.0748579840230534
Energy: 1.9512722877391384
Energy: 1.87596117760689
Energy: 1.9933264959493326
Energy: 1.8759611775991758
Energy: 1.9933264959499755
Energy: 1.8759611776049612
Energy: 1.9933264959493326
Energy: 1.812243888857273
Energy: 2.1645157587906656
Energy: 1.81224388885663
Energy: 2.1645157587906656
Energy: 1.81224388885663
Energy: 2.1645157587906656
Energy: 1.9956959293182979
Energy: 2.026109414034092
Energy: 1.9956959293182979
Energy: 2.0261094140334492
Energy: 1.9956959293182979
Energy: 2.026109414034092
Energy: 1.6874135801315466
Energy: 2.0476722625034958
Energy: 1.6874135801321892
Energy: 2.0476722625034958
Energy: 1.687413580132832
Energy: 2.0476722625034958
Energy: 2.0404491164859033
Energy: 1.6203152484050145
Energy: 2.0404491164859033
Energy: 1.6203152484050145
Energy: 2.0404491164859033
Energy: 1.6203152484050145
Energy: 1.648655013398717
Energy: 1.93781977532894
Energy: 1.648655013398717
Energy: 1.9378197753276545
Energy: 1.6486550133993598
Energy: 1.9378197753276545
Energy: 2.082397817002957
Energy: 1.5238382175076894
Energy: 2.082397817002957
Energy: 1.5238382175083323
Energy: 2.082397817002957
Energy: 1.5238382175083323
Energy: 1.8592622755427213
Energy: 2.0068095053312587
Energy: 1.8592622755433643
Energy: 2.0068095053319013
Energy: 1.8592622755433643
Energy: 2.0068095053319013
Energy: 2.151563238173615
Energy: 1.6772269516045908
Energy: 2.151563238173615
Energy: 1.6772269516033051
Energy: 2.151563238173615
Energy: 1.677226951603948
Energy: 2.2086661544253063
Energy: 2.005814700282214
Energy: 2.2086661544246637
Energy: 2.005814700282857
Energy: 2.2086661544253063
Energy: 2.005814700282214
Energy: 1.9316612107556554
Energy: 1.971195904664363
Energy: 1.9316612107556554
Energy: 1.9711959046650058
Energy: 1.9316612107556554
Energy: 1.971195904664363
Energy: 1.9096069622281089
Energy: 1.8054283844469239
Energy: 1.9096069622281089
Energy: 1.8054283844469239
Energy: 1.9096069622281089
Energy: 1.8054283844469239
Energy: 1.7508794891688146
Energy: 2.041252782954192
Energy: 1.7508794891688146
Energy: 2.041252782954192
Energy: 1.7508794891688146
Energy: 2.041252782954192
Energy: 1.9866072317459758
Energy: 1.7815054400535157
Energy: 1.9866072317466188
Energy: 1.7815054400535157
Energy: 1.9866072317459758
Energy: 1.7815054400535157
Energy: 1.7347080573894962
Energy: 2.163026403947766
Energy: 1.7347080573894962
Energy: 2.163026403947766
Energy: 1.7347080573894962
Energy: 2.163026403947766
Energy: 1.9857891437895878
Energy: 1.9077313903793436
Energy: 1.9857891437895878
Energy: 1.9077313903793436
Energy: 1.9857891437895878
Energy: 1.9077313903787005
Energy: 1.4706385313214074
Energy: 2.103657354596804
Energy: 1.470638531322693
Energy: 2.1036573545961614
Energy: 1.4706385313220502
Energy: 2.1036573545961614

minimum gb energy = 1.4706385313214074 eV
minimum distance =  2.57748384844385 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.8500886637631035
Energy: 1.936755741147461
Energy: 1.8118223832219145
Energy: 1.936755741148192
Energy: 1.8500886637635026
Energy: 1.9367557411471283
Energy: 2.254660054704793
Energy: 1.8787926304268854
Energy: 2.2546600547059237
Energy: 1.8787926304268854
Energy: 2.254660054704793
Energy: 1.878792630428348
Energy: 1.6248819184999588
Energy: 1.8870999624265
Energy: 1.6248819184999588
Energy: 1.8870999624268325
Energy: 1.6248819184996266
Energy: 1.8870999624272313
Energy: 2.102217214357445
Energy: 1.9417470748049839
Energy: 2.102217214356714
Energy: 1.9417470748053827
Energy: 2.102217214357445
Energy: 1.9417470748042525
Energy: 1.8740272727235803
Energy: 1.9298719970258162
Energy: 1.8740272727225167
Energy: 1.929871997026215
Energy: 1.874027272723979
Energy: 1.9298719970265477
Energy: 2.1384316919848314
Energy: 1.7162769215191247
Energy: 2.1384316919851636
Energy: 1.7162769215191247
Energy: 2.1384316919851636
Energy: 1.7162769215183937
Energy: 2.1810889104263746
Energy: 2.0388304515482507
Energy: 2.1810889104263746
Energy: 2.0388304515482507
Energy: 2.1810889104263746
Energy: 2.0388304515464557
Energy: 1.5356069804560097
Energy: 1.9891317052630406
Energy: 1.5356069804560097
Energy: 1.9891317052634396
Energy: 1.5356069804552783
Energy: 1.9891317052634396
Energy: 2.0651783481281556
Energy: 1.7988230048921716
Energy: 2.0651783481281556
Energy: 1.7988230048917724
Energy: 2.065178348127823
Energy: 1.7988230048910414
Energy: 1.585618140209161
Energy: 2.1591500718584973
Energy: 1.5855754100429527
Energy: 2.159150071858165
Energy: 1.5856181402095595
Energy: 2.1591500718552394
Energy: 2.1058193118577484
Energy: 1.5877232938890975
Energy: 2.10581931185961
Energy: 1.5877232938890975
Energy: 2.1058193118581476
Energy: 1.5877232938894963
Energy: 1.7702860394167224
Energy: 2.041339483012926
Energy: 1.7701938087537383
Energy: 2.0413394830133247
Energy: 1.7702860394167224
Energy: 2.041339483013657
Energy: 2.0983207597789306
Energy: 1.5969366378445087
Energy: 2.098320759779263
Energy: 1.596936637843046
Energy: 2.0983207597789306
Energy: 1.596936637844176
Energy: 1.993086861284822
Energy: 2.090899375625769
Energy: 1.993086861284822
Energy: 2.0908993756250376
Energy: 1.993086861284423
Energy: 2.090899375622844
Energy: 2.03327501434244
Energy: 1.8952684890441889
Energy: 2.033275014344301
Energy: 1.8952684890445213
Energy: 2.033275014343171
Energy: 1.8952684890445213
Energy: 1.714684162122312
Energy: 1.7765991526010567
Energy: 1.7146841621215805
Energy: 1.776599152600658
Energy: 1.714684162122312
Energy: 1.7765991526010567
Energy: 1.9385493002684442
Energy: 1.8820227123427162
Energy: 1.9385493002680452
Energy: 1.8820227123431155
Energy: 1.9385493002680452
Energy: 1.8820227123409214
Energy: 1.9469815357102476
Energy: 1.587666400285099
Energy: 1.9469815357084523
Energy: 1.587666400285099
Energy: 1.9469815357102476
Energy: 1.5876664002829048
Energy: 1.9139344512690442
Energy: 1.9688524518454436
Energy: 1.9139344512671828
Energy: 1.9688524518479702
Energy: 1.913934451268313
Energy: 1.9688524518454436
Energy: 2.05037619635946
Energy: 1.8172422790571
Energy: 2.0503761963590614
Energy: 1.8172422790571
Energy: 2.05037619635946
Energy: 1.8172422790574987
Energy: 1.5484645394079355
Energy: 2.1632331500647397
Energy: 1.548464539409398
Energy: 2.1632331500640083
Energy: 1.5484645394079355
Energy: 2.1632331500640083
Energy: 1.8867855868490135
Energy: 1.8000157269836015
Energy: 1.8867855868519388
Energy: 1.8000157269839336
Energy: 1.8867855868490135
Energy: 1.800015726982471
Energy: 1.5040780836072953
Energy: 2.2372794575051076
Energy: 1.5018738743448878
Energy: 2.2372794575054398
Energy: 1.5040780836072953
Energy: 2.2372794575036443
Energy: 2.0274911169331853
Energy: 1.9705763071433804
Energy: 2.0274911169305927
Energy: 1.9705763071433804
Energy: 2.027491116932787
Energy: 1.970576307143048
Energy: 1.9062029704668935
Energy: 2.136494731448606
Energy: 1.8597709840627623
Energy: 2.136494731448274
Energy: 1.9062029704664945
Energy: 2.136494731449005
Energy: 2.063019478592179
Energy: 2.0066349870545994
Energy: 2.0027108590200413
Energy: 2.006634987054932
Energy: 2.063019478592179
Energy: 2.0066349870542006
Energy: 2.070807526274765
Energy: 2.0016446824320835
Energy: 2.003120856083915
Energy: 2.0016446824316847
Energy: 2.070807526274765
Energy: 2.001644682430621
Energy: 1.8846401303017852
Energy: 2.062796982540902
Energy: 1.8846401303029154
Energy: 2.062796982540902
Energy: 1.8846401303017852
Energy: 2.0627969825397714
Energy: 1.9640540405502653
Energy: 1.937521145896928
Energy: 1.964054040550664
Energy: 1.9375211458973267
Energy: 1.9640540405502653
Energy: 1.9375211458980584
Energy: 1.5268215548190969
Energy: 2.191866754849122
Energy: 1.5268215548198283
Energy: 2.191866754849122
Energy: 1.5268215548190969
Energy: 2.1918667548520476
Energy: 1.9458373805476885
Energy: 1.7991286948741265
Energy: 1.9458373805484201
Energy: 1.7991286948741265
Energy: 1.9458373805480877
Energy: 1.7991286948741265
Energy: 1.590366340329905
Energy: 2.098214874863205
Energy: 1.5903663403306363
Energy: 2.098214874863604
Energy: 1.590366340330304
Energy: 2.098214874861011
Energy: 2.0500069158443246
Energy: 1.817767165760243
Energy: 2.050006915845056
Energy: 1.8177671657598444
Energy: 2.050006915843926
Energy: 1.8177671657598444
Energy: 1.8695423562867923
Energy: 2.053704690564829
Energy: 1.8695423562871911
Energy: 2.0537046905644964
Energy: 1.8695423562871911
Energy: 2.0537046905623026
Energy: 1.8861818553657521
Energy: 1.6133854756436032
Energy: 1.8861818553654197
Energy: 1.613385475642872
Energy: 1.8861818553657521
Energy: 1.6133854756425396
Energy: 1.9424876215303715
Energy: 1.9095865507625562
Energy: 1.9424876215307039
Energy: 1.909586550762955
Energy: 1.9424876215299722
Energy: 1.9095865507625562
Energy: 1.6517382342517988
Energy: 1.834189193852285
Energy: 1.6517502172486305
Energy: 1.834189193852285
Energy: 1.6517382342514
Energy: 1.834189193852285
Energy: 1.9685558248411277
Energy: 1.9684598860746074
Energy: 1.9685558248418593
Energy: 1.9684598860742748
Energy: 1.968555824841527
Energy: 1.96845988607607
Energy: 2.0375109646456417
Energy: 2.0891955769168176
Energy: 2.037510964646373
Energy: 2.0891955769168176
Energy: 2.037510964645309
Energy: 2.08919557691715
Energy: 2.164297675131962
Energy: 1.5534708499757024
Energy: 2.1642976751294354
Energy: 1.5534708499749712
Energy: 2.164297675131962
Energy: 1.5534708499749712
Energy: 1.8260481374178956
Energy: 1.9591565183501287
Energy: 1.826048137418228
Energy: 1.9591565183497965
Energy: 1.8260481374174968
Energy: 1.9591565183501287

minimum gb energy = 1.5018738743448878 eV
minimum distance =  2.60137938055084 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.9309380279298405
Energy: 1.9286530366329884
Energy: 1.9309380279298405
Energy: 1.928653036632141
Energy: 1.9309380279298405
Energy: 1.928653036632141
Energy: 2.218412998300331
Energy: 1.7210654541769153
Energy: 2.218412998301178
Energy: 1.7210654541769153
Energy: 2.218412998301178
Energy: 1.7210654541769153
Energy: 1.7266445288814214
Energy: 2.230249210187484
Energy: 1.7266445288822683
Energy: 2.2302492101883318
Energy: 1.7266445288805738
Energy: 2.230249210187484
Energy: 1.8910280840250533
Energy: 1.6856707507945927
Energy: 1.8910280840250533
Energy: 1.6856707507954398
Energy: 1.8910280840250533
Energy: 1.6856707507945927
Energy: 1.939961687244776
Energy: 1.8907135391104246
Energy: 1.939961687244776
Energy: 1.8907135391104246
Energy: 1.939961687244776
Energy: 1.8907135391104246
Energy: 2.0198861617408337
Energy: 1.8933480789994992
Energy: 2.019886161741681
Energy: 1.8933480789994992
Energy: 2.0198861617408337
Energy: 1.8933480789994992
Energy: 1.9644604892202409
Energy: 1.805924377694801
Energy: 1.9644604892202409
Energy: 1.8059243776956484
Energy: 1.9644604892193938
Energy: 1.805924377694801
Energy: 1.7259534758396253
Energy: 1.9311267496597293
Energy: 1.7259534758396253
Energy: 1.9311267496597293
Energy: 1.7259534758396253
Energy: 1.931126749658882
Energy: 2.050795468170796
Energy: 1.587841444345217
Energy: 2.050795468171643
Energy: 1.587841444345217
Energy: 2.050795468170796
Energy: 1.587841444345217
Energy: 1.795945368697648
Energy: 2.1632322790357366
Energy: 1.795945368697648
Energy: 2.1632322790357366
Energy: 1.795945368697648
Energy: 2.1632322790349274
Energy: 2.2074701587561885
Energy: 1.5588712617599672
Energy: 2.2074701587570362
Energy: 1.5588712617599672
Energy: 2.2074701587561885
Energy: 1.558871261760814
Energy: 1.93613678502281
Energy: 2.034333353090891
Energy: 1.93613678502281
Energy: 2.034333353090891
Energy: 1.93613678502281
Energy: 2.034333353090891
Energy: 2.0946759892206934
Energy: 1.71994669472401
Energy: 2.094675989219846
Energy: 1.71994669472401
Energy: 2.0946759892206934
Energy: 1.71994669472401
Energy: 1.8303414219672296
Energy: 1.7467059786765868
Energy: 1.8303414219672296
Energy: 1.7467059786765868
Energy: 1.8303414219672296
Energy: 1.7467059786757395
Energy: 1.9572734786147945
Energy: 1.8520763605878792
Energy: 1.9572734786147945
Energy: 1.8520763605878792
Energy: 1.9572734786147945
Energy: 1.8520763605878792
Energy: 1.9408720692215504
Energy: 1.8916349422317404
Energy: 1.9408720692215504
Energy: 1.8916349422325878
Energy: 1.9408720692215504
Energy: 1.8916349422317404
Energy: 1.979120884981149
Energy: 2.1247330851767043
Energy: 1.979120884981149
Energy: 2.1247330851775508
Energy: 1.979120884981149
Energy: 2.1247330851750097
Energy: 1.8871122360336425
Energy: 1.741744308660581
Energy: 1.8871122360336425
Energy: 1.741744308660581
Energy: 1.8871122360344899
Energy: 1.7417443086614284

minimum gb energy = 1.5588712617599672 eV
minimum distance =  2.51436416812192 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.7603665942070013
Energy: 1.5762998046875067
Energy: 1.6884589146646225
Energy: 1.5762998046890144
Energy: 1.760366594206499
Energy: 1.5762998046895167
Energy: 2.12533346686375
Energy: 2.0785452662282045
Energy: 2.125333466862745
Energy: 2.0785452662271995
Energy: 2.125333466863247
Energy: 2.0785452662271995
Energy: 1.5370688567268826
Energy: 2.035384934563521
Energy: 1.5370688567273851
Energy: 2.035384934562516
Energy: 1.5370688567268826
Energy: 2.0353849345620127
Energy: 2.1128271676250994
Energy: 1.4693265722794362
Energy: 2.1128271676250994
Energy: 1.4693265722804412
Energy: 2.1128271676250994
Energy: 1.4693265722804412
Energy: 1.6000073520800482
Energy: 1.5900010929519803
Energy: 1.600007352079043
Energy: 1.5900010929519803
Energy: 1.600007352078038
Energy: 1.5900010929519803
Energy: 1.534454202720146
Energy: 1.626452029421427
Energy: 1.534454202719643
Energy: 1.626452029421427
Energy: 1.5344542027191406
Energy: 1.626452029421427
Energy: 2.0085555775352764
Energy: 1.462349044042941
Energy: 2.0085555775347737
Energy: 1.4623490440444484
Energy: 2.0085555775347737
Energy: 1.4623490440444484
Energy: 1.515880592952917
Energy: 2.00251729663132
Energy: 1.5155117836628549
Energy: 2.00251729663132
Energy: 1.5158805929534196
Energy: 2.0025172966308173
Energy: 2.146732919427938
Energy: 1.953432155136403
Energy: 2.14673291942844
Energy: 1.953432155136403
Energy: 2.146732919429446
Energy: 1.953432155136403
Energy: 1.68845891466412
Energy: 1.5762998046880092
Energy: 1.68845891466412
Energy: 1.5762998046890144
Energy: 1.68845891466412
Energy: 1.5762998046890144
Energy: 2.12533346686375
Energy: 2.0785452662271995
Energy: 2.125333466863247
Energy: 2.0785452662271995
Energy: 2.12533346686375
Energy: 2.0785452662271995
Energy: 1.5370688567268826
Energy: 2.035384934563018
Energy: 1.5370688567268826
Energy: 2.035384934562516
Energy: 1.5370688567273851
Energy: 2.035384934563018
Energy: 2.1128271676261043
Energy: 1.4694528036373307
Energy: 2.1128271676250994
Energy: 1.4694528036383356
Energy: 2.112827167625602
Energy: 1.4694528036383356
Energy: 1.6000073520800482
Energy: 1.5900010929524833
Energy: 1.600007352079043
Energy: 1.5900010929524833
Energy: 1.6000073520785405
Energy: 1.5900010929524833
Energy: 1.534454202719643
Energy: 1.626452029421427
Energy: 1.534454202719643
Energy: 1.626452029421427
Energy: 1.5344542027191406
Energy: 1.6264520294209244
Energy: 2.0085555775352764
Energy: 1.462349044042941
Energy: 2.0085555775347737
Energy: 1.4623490440444484
Energy: 2.0085555775347737
Energy: 1.462349044043946
Energy: 1.56213505852237
Energy: 2.0025172966303146
Energy: 1.5284425793572767
Energy: 2.0025172966318223
Energy: 1.5621350585233749
Energy: 2.0025172966308173
Energy: 2.0703700696590066
Energy: 1.9534321551359004
Energy: 2.146732919427938
Energy: 1.9534321551359004
Energy: 2.070370069659509
Energy: 1.953432155136403
Energy: 1.760366594206499
Energy: 1.576299804688512
Energy: 1.6884589146646225
Energy: 1.5762998046890144
Energy: 1.7603665942070013
Energy: 1.5762998046890144
Energy: 2.125333466863247
Energy: 2.0785452662271995
Energy: 2.125333466862745
Energy: 2.0785452662261945
Energy: 2.125333466863247
Energy: 2.0785452662266968
Energy: 1.5370688567263802
Energy: 2.035384934563018
Energy: 1.5370688567268826
Energy: 2.035384934563018
Energy: 1.5370688567268826
Energy: 2.035384934563018
Energy: 2.1128271676261043
Energy: 1.4693265722789337
Energy: 2.112827167625602
Energy: 1.4693265722799387
Energy: 2.112827167625602
Energy: 1.4693265722804412
Energy: 1.6000073520795455
Energy: 1.5900010929524833
Energy: 1.6000073520785405
Energy: 1.5900010929524833
Energy: 1.6000073520775355
Energy: 1.5900010929524833
Energy: 1.534454202719643
Energy: 1.6264520294219296
Energy: 1.534454202719643
Energy: 1.626452029421427
Energy: 1.534454202719643
Energy: 1.6264520294219296
Energy: 2.0085555775352764
Energy: 1.462349044042941
Energy: 2.0085555775352764
Energy: 1.4623490440444484
Energy: 2.0085555775352764
Energy: 1.4623490440444484
Energy: 1.5158805929519124
Energy: 2.00251729663132
Energy: 1.5155117836633574
Energy: 2.002517296632325
Energy: 1.5158805929524146
Energy: 2.002517296632325
Energy: 2.14673291942844
Energy: 1.9534321551359004
Energy: 2.1467329194289433
Energy: 1.9534321551359004
Energy: 2.1467329194289433
Energy: 1.9534321551359004
Energy: 1.6884589146646225
Energy: 1.5762998046870043
Energy: 1.68845891466412
Energy: 1.576299804688512
Energy: 1.68845891466412
Energy: 1.576299804688512
Energy: 2.125333466863247
Energy: 2.0785452662277017
Energy: 2.125333466862242
Energy: 2.0785452662271995
Energy: 2.125333466862745
Energy: 2.0785452662271995
Energy: 1.5370688567263802
Energy: 2.035384934564023
Energy: 1.5370688567263802
Energy: 2.035384934562516
Energy: 1.5370688567268826
Energy: 2.035384934562516

minimum gb energy = 1.462349044042941 eV
minimum distance =  2.51765563544617 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.4842005506770335
Energy: 1.45896719242449
Energy: 1.4842005506782645
Energy: 1.45896719242449
Energy: 1.4842005506782645
Energy: 1.4589671924232592
Energy: 1.9447318287212199
Energy: 1.6475720003456895
Energy: 1.9447318287212199
Energy: 1.6475720003456895
Energy: 1.9447318287236819
Energy: 1.64757200034692
Energy: 1.5983225849419804
Energy: 1.8650891150212396
Energy: 1.5983225849419804
Energy: 1.8650891150224704
Energy: 1.5983225849419804
Energy: 1.8650891150224704
Energy: 2.118696977801017
Energy: 1.4491036683182705
Energy: 2.118696977801017
Energy: 1.4491036683182705
Energy: 2.1186969777997855
Energy: 1.4491036683195013
Energy: 1.9698987276890247
Energy: 1.4491157372329018
Energy: 1.969898727690256
Energy: 1.4491157372329018
Energy: 1.9698987276890247
Energy: 1.4491157372329018
Energy: 1.6257700691805104
Energy: 1.915584259619365
Energy: 1.6257700691805104
Energy: 1.915584259619365
Energy: 1.6257700691805104
Energy: 1.915584259619365
Energy: 1.3946997270012234
Energy: 1.6459113829395324
Energy: 1.3946997269999926
Energy: 1.6459113829395324
Energy: 1.3946997269999926
Energy: 1.6459113829395324
Energy: 1.4829943364107885
Energy: 1.4606615372598386
Energy: 1.4829943364095572
Energy: 1.4606615372598386
Energy: 1.4829943364107885
Energy: 1.4606615372598386
Energy: 1.946215511702956
Energy: 1.5984489026414646
Energy: 1.946215511701725
Energy: 1.5984489026414646
Energy: 1.946215511702956
Energy: 1.5984489026414646
Energy: 1.8027579796544126
Energy: 1.7848849031032148
Energy: 1.8027579796544126
Energy: 1.7848849031032148
Energy: 1.8027579796544126
Energy: 1.7848849031032148
Energy: 1.5003435091163462
Energy: 1.4481420687783935
Energy: 1.5003435091163462
Energy: 1.4481420687783935
Energy: 1.5003435091163462
Energy: 1.4481420687783935
Energy: 1.8692898670932176
Energy: 2.037557034904282
Energy: 1.8692898670932176
Energy: 2.037557034904282
Energy: 1.8692898670932176
Energy: 2.037557034904282

minimum gb energy = 1.3946997269999926 eV
minimum distance =  2.61095289058105 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.3104327134895088
Energy: 1.5649846438213564
Energy: 1.3104327134929679
Energy: 1.5649846438213564
Energy: 1.3104327134929679
Energy: 1.5649846438213564
Energy: 1.8544020218547095
Energy: 1.5838997720599255
Energy: 1.8544020218547095
Energy: 1.5838997720599255
Energy: 1.8544020218547095
Energy: 1.5838997720633843
Energy: 1.2919639974392745
Energy: 2.269111861662793
Energy: 1.2919639974392745
Energy: 2.269111861680087
Energy: 1.2919639974392745
Energy: 2.269111861666252
Energy: 1.2574279314656818
Energy: 1.2271261991616111
Energy: 1.2574279314656818
Energy: 1.2271261991616111
Energy: 1.2574279314656818
Energy: 1.2271261991616111
Energy: 1.5613744696387124
Energy: 1.4427679811562284
Energy: 1.5613744696387124
Energy: 1.4427679811562284
Energy: 1.5613744696387124
Energy: 1.4427679811562284
Energy: 1.6571656842217712
Energy: 1.4359888143949484
Energy: 1.6571656842217712
Energy: 1.4359888131434524
Energy: 1.6571656842183122
Energy: 1.5148272037866062
Energy: 1.2610216817495716
Energy: 1.5826011720204087
Energy: 1.2610216817495716
Energy: 1.5826011720204087
Energy: 1.2610216817495716
Energy: 1.5826011720204087
Energy: 1.209723360895775
Energy: 1.578975766046715
Energy: 1.209723360895775
Energy: 1.578975766046715
Energy: 1.209723360895775
Energy: 1.578975766046715
Energy: 1.9970838139638547
Energy: 1.4415614554521794
Energy: 1.9970838140468645
Energy: 1.4415614554521794
Energy: 1.997083814067554
Energy: 1.4415614554521794
Energy: 1.5450176433728282
Energy: 2.0889752432537936
Energy: 1.5450176433728282
Energy: 2.0889752432537936
Energy: 1.5450176433728282
Energy: 2.0889752432537936
Energy: 1.2584730541000697
Energy: 1.2332417801523745
Energy: 1.2584730541000697
Energy: 1.2332417801523745
Energy: 1.2584730541000697
Energy: 1.2332417801523745
Energy: 1.3762155153051752
Energy: 1.3600489660161683
Energy: 1.3762155153051752
Energy: 1.3600489660161683
Energy: 1.3762155153051752
Energy: 1.360048966019627
Energy: 1.2947073861475025
Energy: 1.3530801833442156
Energy: 1.2947073861440435
Energy: 1.3530801833442156
Energy: 1.2947073861854854
Energy: 1.3530801833442156
Energy: 1.3088810417356038
Energy: 1.567255743058548
Energy: 1.3088810417356038
Energy: 1.567255743058548
Energy: 1.3088810417390626
Energy: 1.567255743058548
Energy: 1.2411727215548782
Energy: 1.6128916664105524
Energy: 1.2411727215548782
Energy: 1.6128916664105524
Energy: 1.2411727215548782
Energy: 1.6128916664105524
Energy: 2.0541128714732566
Energy: 1.2717040635927714
Energy: 2.0541128714732566
Energy: 1.2717040635962302
Energy: 2.0541128714732566
Energy: 1.2717040635996888
Energy: 1.7052570314371533
Energy: 1.8437931992675454
Energy: 1.7052570314371533
Energy: 1.8437931992675454
Energy: 1.7052570314371533
Energy: 1.8437931992675454
Energy: 1.2581375588414885
Energy: 1.5529086452222398
Energy: 1.2581375588449473
Energy: 1.5529086452222398
Energy: 1.2581375588414885
Energy: 1.5529086452222398
Energy: 1.207020060114181
Energy: 1.6963630855805933
Energy: 1.207020060114181
Energy: 1.6963630855805933
Energy: 1.207020060114181
Energy: 1.6963630855805933
Energy: 1.65948682281258
Energy: 1.5348066685720638
Energy: 1.65948682281258
Energy: 1.5348066685720638
Energy: 1.65948682281258
Energy: 1.5348066685720638
Energy: 1.2061138171482804
Energy: 1.695874062467619
Energy: 1.2061138171482804
Energy: 1.6958740624641602
Energy: 1.2061138171482804
Energy: 1.6958740624641602
Energy: 1.2577488734074789
Energy: 1.5526764964669129
Energy: 1.2577488734074789
Energy: 1.5526764964703714
Energy: 1.2577488734074789
Energy: 1.5526764964669129
Energy: 1.7050540715588147
Energy: 1.84367692565499
Energy: 1.7050540715622735
Energy: 1.84367692565499
Energy: 1.7050540715622735
Energy: 1.84367692565499
Energy: 2.05430479455213
Energy: 1.2338444903204975
Energy: 2.05430479455213
Energy: 1.2338444903239565
Energy: 2.05430479455213
Energy: 1.2338444903204975
Energy: 1.2412551408144539
Energy: 1.6128522395336466
Energy: 1.2412551408179124
Energy: 1.6128522395336466
Energy: 1.2412551408144539
Energy: 1.6128522395336466
Energy: 1.3101688201194361
Energy: 1.5672781808733394
Energy: 1.3101688201194361
Energy: 1.5672781808733394
Energy: 1.3101688201194361
Energy: 1.5672781808733394
Energy: 1.295041824903469
Energy: 1.352968215662402
Energy: 1.2950418252145666
Energy: 1.352968215662402
Energy: 1.2950418255257268
Energy: 1.352968215662402
Energy: 1.3760539337541298
Energy: 1.2116087447819621
Energy: 1.3760539337541298
Energy: 1.2116087447819621
Energy: 1.3760539337541298
Energy: 1.2116087447819621
Energy: 1.2583578360740046
Energy: 1.2332561908943416
Energy: 1.2583578360740046
Energy: 1.2332561908943416
Energy: 1.2583578360740046
Energy: 1.2332561908943416
Energy: 1.5452085080579145
Energy: 2.1147150062733022
Energy: 1.5452085080579145
Energy: 2.1147150062733022
Energy: 1.5452085080579145
Energy: 2.1147150062733022
Energy: 1.8982593073519245
Energy: 1.4415722898844916
Energy: 1.898259307355383
Energy: 1.4415722898844916
Energy: 1.8982593073519245
Energy: 1.4415722898844916
Energy: 1.2097103833563023
Energy: 1.5794878211494536
Energy: 1.2097103833563023
Energy: 1.5794878211494536
Energy: 1.2097103833563023
Energy: 1.5794878211494536
Energy: 1.2589624720689532
Energy: 1.5776853823247996
Energy: 1.2589624720689532
Energy: 1.5776853823247996
Energy: 1.258962472072412
Energy: 1.5776853823247996
Energy: 1.656993726275778
Energy: 1.9764793363893602
Energy: 1.6569937262723191
Energy: 1.9764793363893602
Energy: 1.6569937262723191
Energy: 1.9764793363859017
Energy: 1.5616130666091406
Energy: 1.4422989533955368
Energy: 1.5616130666056818
Energy: 1.4422989533955368
Energy: 1.5616130666056818
Energy: 1.4422989533955368
Energy: 1.2577928308811177
Energy: 1.2270846115285665
Energy: 1.2577928308811177
Energy: 1.2270846115285665
Energy: 1.2577928308811177
Energy: 1.2270846115285665
Energy: 1.2917552164160133
Energy: 2.2615560965230155
Energy: 1.2917552164160133
Energy: 2.2615560965195565
Energy: 1.291755216419472
Energy: 2.261556096526474
Energy: 1.8549193328537363
Energy: 1.6080818595685502
Energy: 1.8549193328537363
Energy: 1.6080818595650912
Energy: 1.8549193328537363
Energy: 1.6080818595650912
Energy: 1.3104327134929679
Energy: 1.5649846438213564
Energy: 1.3104327134929679
Energy: 1.5649846438213564
Energy: 1.3104327134929679
Energy: 1.5649846438213564
Energy: 1.8544020218374158
Energy: 1.646608649601385
Energy: 1.8544020218339572
Energy: 1.646608649601385
Energy: 1.8544020218374158
Energy: 1.646608649601385
Energy: 1.2919639974392745
Energy: 2.269111861693922
Energy: 1.2919639974392745
Energy: 2.269111861690463
Energy: 1.2919639974392745
Energy: 2.269111861680087
Energy: 1.2574279314656818
Energy: 1.2271261991616111
Energy: 1.2574279314656818
Energy: 1.2271261991616111
Energy: 1.2574279314656818
Energy: 1.2271261991616111
Energy: 1.5613744696387124
Energy: 1.4427679811562284
Energy: 1.5613744696387124
Energy: 1.4427679811562284
Energy: 1.5613744696387124
Energy: 1.4427679811562284

minimum gb energy = 1.2061138171482804 eV
minimum distance =  2.56636293855894 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.5598019720232941
Energy: 0.5740465909205357
Energy: 0.5598019720240814
Energy: 0.5740465909228977
Energy: 0.5598019720240814
Energy: 0.5740465909205357
Energy: 1.5561669276736705
Energy: 0.5763202796322843
Energy: 1.5561669276736705
Energy: 0.576320279633036
Energy: 1.5561669276736705
Energy: 0.5763202796307098
Energy: 0.6327146056278891
Energy: 1.4925030245985014
Energy: 0.6327146056286763
Energy: 1.4925030245985014
Energy: 0.6327146056286763
Energy: 1.4925030245985014
Energy: 0.5758015906595773
Energy: 0.5594943835307029
Energy: 0.57580159065879
Energy: 0.5594943835307029
Energy: 0.5758015906572153
Energy: 0.5594943835314903
Energy: 0.7224123584707615
Energy: 0.7268072377111994
Energy: 0.7224123584715487
Energy: 0.7268072377111994
Energy: 0.7224123584707615
Energy: 0.7268072377111994
Energy: 0.5597119950065277
Energy: 1.8376514307739331
Energy: 0.5597119950041657
Energy: 1.837651430773146
Energy: 0.5597119950073149
Energy: 1.837651430773146
Energy: 0.5597083575845433
Energy: 1.8376247298370323
Energy: 0.5597083575845433
Energy: 1.8376247298378197
Energy: 0.5597083575837559
Energy: 1.8376247298378197
Energy: 0.7225499065865852
Energy: 0.7269190137222703
Energy: 0.7225499065857978
Energy: 0.7269190137222703
Energy: 0.7225499065873725
Energy: 0.7269190137214829
Energy: 0.5757848239519449
Energy: 0.5595027683317799
Energy: 0.5757848239503701
Energy: 0.5595027683325672
Energy: 0.5757848239527321
Energy: 0.5595027683317799
Energy: 0.632509815923234
Energy: 1.4923329860789805
Energy: 0.632509815923234
Energy: 1.4923329860789805
Energy: 0.632509815923234
Energy: 1.4923329860774415
Energy: 1.5562785606670786
Energy: 0.5750322737453056
Energy: 1.5562785606655039
Energy: 0.5749894348074522
Energy: 1.556278560666291
Energy: 0.5749819436808253
Energy: 0.5598019720240814
Energy: 0.5740465909205357
Energy: 0.5598019720240814
Energy: 0.5740465909205357
Energy: 0.5598019720240814
Energy: 0.574046590921323
Energy: 1.5561669276736705
Energy: 0.5763202796314971
Energy: 1.5561669276736705
Energy: 0.5763202796338233
Energy: 1.5561669276736705
Energy: 0.5763202796314971
Energy: 0.6327146056286763
Energy: 1.4925030245985014
Energy: 0.6327146056286763
Energy: 1.4925030245992887
Energy: 0.6327146056278891
Energy: 1.4925030246000761
Energy: 0.57580159065879
Energy: 0.5594943835307029
Energy: 0.5758015906595773
Energy: 0.5594943835307029
Energy: 0.5758015906572153
Energy: 0.5594943835314903
Energy: 0.7224123584707615
Energy: 0.7268072377119866
Energy: 0.7224123584699741
Energy: 0.7268072377111994
Energy: 0.7224123584699741
Energy: 0.7268072377119866
Energy: 0.5597119950073149
Energy: 1.837651430773146
Energy: 0.5597119950065277
Energy: 1.837651430773146
Energy: 0.5597119950057403
Energy: 1.8376514307739331
Energy: 0.5597083575829686
Energy: 1.8376247298370323
Energy: 0.5597083575837559
Energy: 1.8376247298378197
Energy: 0.5597083575853306
Energy: 1.8376247298378197
Energy: 0.7225499065865852
Energy: 0.7269190137214829
Energy: 0.7225499065834359
Energy: 0.7269190137214829
Energy: 0.7225499065857978
Energy: 0.7269190137199082

minimum gb energy = 0.5594943835307029 eV
minimum distance =  2.67683218536034 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.3008736696309888
Energy: 1.3440587845895227
Energy: 1.3008736696309888
Energy: 1.3440587845895227
Energy: 1.3008736696309888
Energy: 1.3440587845900995
Energy: 1.4293113120289382
Energy: 1.26548652835116
Energy: 1.4293113120283614
Energy: 1.2654865283500065
Energy: 1.4293113120283614
Energy: 1.2654865283494299
Energy: 1.4540962198723406
Energy: 2.7427619138539505
Energy: 1.4540962198723406
Energy: 2.7427619138539505
Energy: 1.4540962198723406
Energy: 2.7427619138539505
Energy: 1.6403850603851498
Energy: 1.145089755393995
Energy: 1.6403850603851498
Energy: 1.1450897553945718
Energy: 1.6403850603851498
Energy: 1.1450897553951485
Energy: 1.3289071904749004
Energy: 1.096039668596649
Energy: 1.3289071904749004
Energy: 1.096039668596649
Energy: 1.328907190475477
Energy: 1.096039668596649
Energy: 1.2711849709736072
Energy: 1.5636684385271487
Energy: 1.271184970975914
Energy: 1.5636684385271487
Energy: 1.2711849709488074
Energy: 1.5636684385271487
Energy: 1.0756522733963094
Energy: 2.3873124198151854
Energy: 1.0756522733968858
Energy: 2.3873124198151854
Energy: 1.075652273397463
Energy: 2.3873124198157623
Energy: 1.369045071636076
Energy: 1.0483772021413187
Energy: 1.369045071636076
Energy: 1.0483772021418956
Energy: 1.3690450716354994
Energy: 1.0483772021418956
Energy: 1.3672041619930049
Energy: 1.0549652306859658
Energy: 1.3672041619930049
Energy: 1.0549652306859658
Energy: 1.3672041619924282
Energy: 1.0549652306842354
Energy: 1.0581775499270443
Energy: 2.2547302696182028
Energy: 1.0581775499276211
Energy: 2.254730269618779
Energy: 1.0581775499258907
Energy: 2.2547302696182028
Energy: 1.690269660850421
Energy: 1.7971808208837199
Energy: 1.6902696608515744
Energy: 1.7971808208831432
Energy: 1.6902696608515744
Energy: 1.7971808208837199
Energy: 1.3308237224535049
Energy: 1.1009152186546036
Energy: 1.3308237224535049
Energy: 1.1009152186546036
Energy: 1.3308237224535049
Energy: 1.1009152186546036
Energy: 1.3764429047494349
Energy: 1.1719661583379617
Energy: 1.376442904748858
Energy: 1.1719661583379617
Energy: 1.3764429047482813
Energy: 1.1719661583379617
Energy: 1.4426910106468482
Energy: 2.5235204607585735
Energy: 1.4426910106462714
Energy: 2.5235204607591504
Energy: 1.4426910106468482
Energy: 2.5235204607591504
Energy: 1.420797988996349
Energy: 1.306763321497859
Energy: 1.4207979889992326
Energy: 1.3067633214972822
Energy: 1.4207979890003861
Energy: 1.3067633214972822
Energy: 1.303078049723417
Energy: 1.3450911015717935
Energy: 1.30307804972284
Energy: 1.3450911015717935
Energy: 1.303078049723417
Energy: 1.3450911015717935
Energy: 1.2305672661212168
Energy: 1.261089901739969
Energy: 1.2305672661212168
Energy: 1.2610899017393924
Energy: 1.2305672661217937
Energy: 1.2610899017393924
Energy: 1.665470013384045
Energy: 2.1208740973404696
Energy: 1.6654700133834681
Energy: 2.120874097341623
Energy: 1.6654700133834681
Energy: 2.1208740973433535
Energy: 1.9307047602770995
Energy: 1.1165661465862575
Energy: 1.9307047602770995
Energy: 1.1165661465874108
Energy: 1.9307047602765226
Energy: 1.1165661465856804
Energy: 1.331058360164765
Energy: 1.2330111293405708
Energy: 1.331058360164765
Energy: 1.233011129341724
Energy: 1.331058360164765
Energy: 1.2330111293394173
Energy: 1.0613608085595228
Energy: 1.5623732259794427
Energy: 1.0613608085600994
Energy: 1.5623732259800192
Energy: 1.0613608085600994
Energy: 1.5623732259794427
Energy: 1.7771923462643495
Energy: 1.5971900813585271
Energy: 1.7771923463577286
Energy: 1.597190081360834
Energy: 1.7771923463104886
Energy: 1.597190081359104
Energy: 1.5659000166625183
Energy: 1.2332659352957482
Energy: 1.5659000166625183
Energy: 1.2332659352957482
Energy: 1.5659000166625183
Energy: 1.2332659352957482
Energy: 1.3668979783128978
Energy: 1.19324094057069
Energy: 1.3668979783128978
Energy: 1.193240940571267
Energy: 1.3668979783123214
Energy: 1.193240940571267
Energy: 1.0612974900883878
Energy: 2.285713010864649
Energy: 1.0612974900883878
Energy: 2.285713010864649
Energy: 1.061297490087811
Energy: 2.285713010864649
Energy: 2.651217614624929
Energy: 1.685390414069424
Energy: 2.651217614625506
Energy: 1.685390414069424
Energy: 2.651217614625506
Energy: 1.685390414069424

minimum gb energy = 1.0483772021413187 eV
minimum distance =  2.57925970305701 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.531226646637544
Energy: 1.20643043427501
Energy: 1.531226646637544
Energy: 1.20643043427501
Energy: 1.5312266466379985
Energy: 1.2064304342754648
Energy: 1.5336152800527818
Energy: 1.5188367937750487
Energy: 1.533615280053236
Energy: 1.5188367937750487
Energy: 1.5336152800536909
Energy: 1.5188367937750487
Energy: 1.738662218370865
Energy: 2.0002040498810074
Energy: 1.738662218370865
Energy: 2.0002040498810074
Energy: 1.738662218370865
Energy: 2.000204049880099
Energy: 1.4960568248296497
Energy: 1.1919555253898348
Energy: 1.4960568248318813
Energy: 1.1919555253898348
Energy: 1.4960568248301043
Energy: 1.1919555253898348
Energy: 1.1646480897338798
Energy: 1.2486149733361123
Energy: 1.1646480897334253
Energy: 1.2486149733365668
Energy: 1.1646480897338798
Energy: 1.2486149733365668
Energy: 1.4649332320908866
Energy: 1.696069212445605
Energy: 1.4649332320908866
Energy: 1.696069212445605
Energy: 1.4649332320913413
Energy: 1.696069212445605
Energy: 1.7752505895988073
Energy: 2.0732506875980214
Energy: 1.7752505895983528
Energy: 2.0732506875980214
Energy: 1.7752505895983528
Energy: 2.0732506875980214
Energy: 1.5920413581340191
Energy: 1.192152627857455
Energy: 1.5920413581340191
Energy: 1.1921526278579093
Energy: 1.5920413581340191
Energy: 1.1921526278570003
Energy: 1.2189312382910653
Energy: 1.2422594973050685
Energy: 1.2189312382910653
Energy: 1.2422594973055232
Energy: 1.2189312382910653
Energy: 1.2422594973050685
Energy: 1.3374563384440334
Energy: 1.9636143760899665
Energy: 1.3374563384449425
Energy: 1.9636143760895117
Energy: 1.3374563384440334
Energy: 1.9636143760895117
Energy: 1.922982923604436
Energy: 1.9932549846497754
Energy: 1.9229829236048905
Energy: 1.9932549846497754
Energy: 1.9229829236048905
Energy: 1.9932549846497754
Energy: 1.2957945540889764
Energy: 1.3531174949589495
Energy: 1.2957945540885218
Energy: 1.3531174949584948
Energy: 1.2957945540889764
Energy: 1.3531174949589495
Energy: 1.230144969465884
Energy: 1.1923435120759853
Energy: 1.230144969465884
Energy: 1.1923435120764398
Energy: 1.230144969465884
Energy: 1.1923435120759853
Energy: 1.1569008910792877
Energy: 2.3040973078878366
Energy: 1.1569008910792877
Energy: 2.3040973078878366
Energy: 1.1569008910792877
Energy: 2.3040973078878366
Energy: 1.8934031607082138
Energy: 1.8308982727168162
Energy: 1.8934031607073047
Energy: 1.8308982727168162
Energy: 1.893403160707759
Energy: 1.8308982727168162
Energy: 1.1665400209769712
Energy: 1.4426962520523117
Energy: 1.1665400209769712
Energy: 1.4426962520523117
Energy: 1.1665400209769712
Energy: 1.4426962520527664
Energy: 1.229850875698848
Energy: 1.1921802587693597
Energy: 1.229850875698848
Energy: 1.1921802587698143
Energy: 1.2298508756993025
Energy: 1.1921802587693597
Energy: 1.5067361708033822
Energy: 2.1849967506444843
Energy: 1.5067361708033822
Energy: 2.1849967506490295
Energy: 1.5067361708033822
Energy: 2.184996750652666
Energy: 2.0122888897631426
Energy: 1.5091363682961687
Energy: 2.0122888897631426
Energy: 1.5091363682961687
Energy: 2.0122888897631426
Energy: 1.5091363682961687
Energy: 1.3514774409370278
Energy: 1.4143851501672666
Energy: 1.351477440936573
Energy: 1.4143851501686304
Energy: 1.351477440936573
Energy: 1.4143851501681757
Energy: 1.2165103150907506
Energy: 1.499817504919103
Energy: 1.2165103150907506
Energy: 1.499817504919103
Energy: 1.2165103150907506
Energy: 1.499817504919103
Energy: 1.735049395820042
Energy: 2.1844789957773396
Energy: 1.735049395820042
Energy: 2.1844789957800668
Energy: 1.735049395820042
Energy: 2.1844789957782487
Energy: 2.024223915980941
Energy: 1.187485198153754
Energy: 2.024223915980941
Energy: 1.187485198153754
Energy: 2.024223915980941
Energy: 1.187485198154663
Energy: 1.1671006614281487
Energy: 1.444129148284098
Energy: 1.1671006614281487
Energy: 1.4441291482845526
Energy: 1.1671006614276942
Energy: 1.4441291482845526
Energy: 1.1658623351218882
Energy: 1.6973815320660028
Energy: 1.165862335120979
Energy: 1.6973815320655483
Energy: 1.1658623351214337
Energy: 1.6973815320655483
Energy: 1.7756622039523446
Energy: 1.9218363699330243
Energy: 1.7756622039523446
Energy: 1.921836369930297
Energy: 1.7756622039523446
Energy: 1.9218363699334786
Energy: 1.1444297795519414
Energy: 1.1918014740296234
Energy: 1.1444297795528506
Energy: 1.1918014740296234
Energy: 1.1444297795519414
Energy: 1.191801474029169
Energy: 1.2171222835500104
Energy: 1.3846497783687208
Energy: 1.2171222835500104
Energy: 1.3846497783687208
Energy: 1.2171222835500104
Energy: 1.3846497783687208
Energy: 1.345658577039349
Energy: 1.7371236186152859
Energy: 1.34565857703844
Energy: 1.7371236186152859
Energy: 1.3456585770375307
Energy: 1.7371236186152859
Energy: 2.0569725258249076
Energy: 1.8948747961617345
Energy: 2.0569725258267257
Energy: 1.8948747961612797
Energy: 2.056972525824453
Energy: 1.8948747961617345
Energy: 1.448630346137024
Energy: 1.563867509719583
Energy: 1.448630346137024
Energy: 1.5638675097191284
Energy: 1.4486303461374785
Energy: 1.5638675097186736
Energy: 1.231472850889123
Energy: 1.1924020439220235
Energy: 1.2314728508886683
Energy: 1.1924020439224783
Energy: 1.2314728508886683
Energy: 1.1924020439220235
Energy: 1.156353342460425
Energy: 1.4297623513697395
Energy: 1.156353342459516
Energy: 1.4297623513697395
Energy: 1.156353342459516
Energy: 1.4297623513697395

minimum gb energy = 1.1444297795519414 eV
minimum distance =  2.58469679350431 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.332744192691316
Energy: 1.2796581111737058
Energy: 1.332744192691316
Energy: 1.2796581111737058
Energy: 1.332744192691316
Energy: 1.2796581111737058
Energy: 1.6784043488065346
Energy: 1.187192381778913
Energy: 1.6784043488065346
Energy: 1.187192381778913
Energy: 1.6784043488065346
Energy: 1.187192381778913
Energy: 1.8497996035174769
Energy: 2.7240064498415415
Energy: 1.8497996035174769
Energy: 2.7240064498415415
Energy: 1.8497996035174769
Energy: 2.724006449844732
Energy: 2.0296214733612925
Energy: 1.2743597648745084
Energy: 2.0296214733612925
Energy: 1.2743597648745084
Energy: 2.0296214733612925
Energy: 1.2743597648745084
Energy: 1.275901842036829
Energy: 1.805734074946437
Energy: 1.275901842036829
Energy: 1.805734074946437
Energy: 1.275901842036829
Energy: 1.805734074946437
Energy: 1.8998142812037373
Energy: 1.3386828607397023
Energy: 1.8998142812037373
Energy: 1.3386828607397023
Energy: 1.8998142812037373
Energy: 1.3386828607397023
Energy: 1.6624846676396907
Energy: 2.0876072721126633
Energy: 1.6624846676396907
Energy: 2.0876072721190435
Energy: 1.6624846676396907
Energy: 2.0876072721190435
Energy: 1.4086987011395191
Energy: 1.4863853308456767
Energy: 1.4086987011395191
Energy: 1.4863853308456767
Energy: 1.4086987011395191
Energy: 1.4863853308456767
Energy: 1.7801383504725732
Energy: 1.3382901895797679
Energy: 1.7801383504725732
Energy: 1.3382901895797679
Energy: 1.7801383504725732
Energy: 1.3382901895797679
Energy: 1.9477687029627022
Energy: 1.468205420293282
Energy: 1.9477687029627022
Energy: 1.468205420293282
Energy: 1.9477687029658923
Energy: 1.468205420293282
Energy: 2.316909434822265
Energy: 2.3767303605582764
Energy: 2.316909434822265
Energy: 2.3767303605582764
Energy: 2.316909434822265
Energy: 2.3767303605582764
Energy: 2.0617203649622984
Energy: 1.2746631971126232
Energy: 2.0617203649622984
Energy: 1.2746631971126232
Energy: 2.0617203649622984
Energy: 1.2746631971126232
Energy: 1.3426081612536513
Energy: 1.8125120005937045
Energy: 1.3426081612536513
Energy: 1.8125120005937045
Energy: 1.3426081612536513
Energy: 1.8125120005937045
Energy: 1.896998873703144
Energy: 1.7934348564330966
Energy: 1.8969988737063344
Energy: 1.7934348564330966
Energy: 1.8969988737063344
Energy: 1.7934348564330966
Energy: 1.8860008806951447
Energy: 1.6623191000575601
Energy: 1.8860008806951447
Energy: 1.6623191000575601
Energy: 1.8860008806951447
Energy: 1.6623191000575601
Energy: 1.4638564892506643
Energy: 1.6481967213274538
Energy: 1.4638564892506643
Energy: 1.6481967213274538
Energy: 1.4638564892506643
Energy: 1.6481967213274538
Energy: 1.834561857973941
Energy: 1.2753230960229929
Energy: 1.8345618579707506
Energy: 1.2753230960229929
Energy: 1.8345618579707506
Energy: 1.2753230960229929
Energy: 1.2558809383055538
Energy: 2.0269853885331273
Energy: 1.2558809383055538
Energy: 2.0269853885331273
Energy: 1.255880938308744
Energy: 2.0269853885331273
Energy: 2.195620333252397
Energy: 1.816647293828692
Energy: 2.195620333252397
Energy: 1.816647293828692
Energy: 2.195620333255587
Energy: 1.816647293828692
Energy: 1.7994477231915929
Energy: 1.3442969653511645
Energy: 1.7994477231915929
Energy: 1.3442969653511645
Energy: 1.7994477231915929
Energy: 1.3442969653511645
Energy: 1.2812983005830756
Energy: 1.3300132154152386
Energy: 1.2812983005830756
Energy: 1.3300132154152386
Energy: 1.2812983005830756
Energy: 1.3300132154152386
Energy: 1.1830215292026054
Energy: 1.6810832026314655
Energy: 1.1830215292026054
Energy: 1.6810832026314655
Energy: 1.1830215292026054
Energy: 1.6810832026314655
Energy: 1.8731376198359666
Energy: 1.587358641141097
Energy: 1.8731376198327765
Energy: 1.587358641141097
Energy: 1.8731376198295866
Energy: 1.587358641141097
Energy: 1.277570580817751
Energy: 1.633061991839064
Energy: 1.2775705808145608
Energy: 1.633061991839064
Energy: 1.277570580817751
Energy: 1.6330619918358737
Energy: 1.7788199852201767
Energy: 1.2753271082081141
Energy: 1.7788199852201767
Energy: 1.2753271082081141
Energy: 1.7788199852201767
Energy: 1.2753271082081141
Energy: 1.6576761538451668
Energy: 1.8701326306094421
Energy: 1.6576761538451668
Energy: 1.8701326306126322
Energy: 1.6576761538451668
Energy: 1.8701326306094421
Energy: 2.2144174680213737
Energy: 1.6732218249986297
Energy: 2.2144174680181834
Energy: 1.6732218249986297
Energy: 2.2144174680213737
Energy: 1.6732218249986297
Energy: 1.3311272741597762
Energy: 1.2855684630447501
Energy: 1.3311272741597762
Energy: 1.2855684630447501
Energy: 1.3311272741565858
Energy: 1.2855684630447501
Energy: 1.3385054290513914
Energy: 1.8976530753916674
Energy: 1.3385054290513914
Energy: 1.8976530753916674
Energy: 1.3385054290513914
Energy: 1.8976530753916674
Energy: 1.4728207366481623
Energy: 1.9437969460312752
Energy: 1.4728207366481623
Energy: 1.9437969460217044
Energy: 1.4728207366481623
Energy: 1.9437969460344653
Energy: 2.0296284490730065
Energy: 1.2561693842212558
Energy: 2.0296284490730065
Energy: 1.2561693842212558
Energy: 2.0296284490730065
Energy: 1.2561693842212558
Energy: 1.2776345200620094
Energy: 1.8526064565367113
Energy: 1.2776345200620094
Energy: 1.852606456533521
Energy: 1.2776345200620094
Energy: 1.8526064565367113
Energy: 1.8003547443062866
Energy: 1.3466708844715367
Energy: 1.8003547443062866
Energy: 1.3466708844747266
Energy: 1.8003547443062866
Energy: 1.3466708844747266
Energy: 2.087400973625724
Energy: 1.8983656111498235
Energy: 2.087400973625724
Energy: 1.8983656111498235
Energy: 2.087400973625724
Energy: 1.8983656111530138
Energy: 2.087623530100827
Energy: 1.898129821007247
Energy: 2.087623530100827
Energy: 1.8981298210040571
Energy: 2.087623530100827
Energy: 1.898129821007247
Energy: 1.8003179819514017
Energy: 1.338224144172736
Energy: 1.8003179819514017
Energy: 1.338224144172736
Energy: 1.8003179819514017
Energy: 1.338224144172736
Energy: 1.277657700308312
Energy: 1.85270721376723
Energy: 1.277657700308312
Energy: 1.85270721376723
Energy: 1.277657700308312
Energy: 1.85270721376723
Energy: 2.029565373279865
Energy: 1.2562037904577565
Energy: 2.029565373279865
Energy: 1.2562037904545664
Energy: 2.029565373279865
Energy: 1.2562037904577565
Energy: 1.4728219721340843
Energy: 1.9437168748098756
Energy: 1.4728219721340843
Energy: 1.9437168748098756
Energy: 1.4728219721340843
Energy: 1.9437168748098756
Energy: 1.338726331500553
Energy: 1.8985198581945832
Energy: 1.338726331500553
Energy: 1.8985198581945832
Energy: 1.338726331500553
Energy: 1.8985198581945832
Energy: 1.3335333598555816
Energy: 1.285579796825143
Energy: 1.3335333598555816
Energy: 1.285579796825143
Energy: 1.3335333598555816
Energy: 1.285579796825143
Energy: 2.2145160641400974
Energy: 1.663030921414514
Energy: 2.2145160641400974
Energy: 1.663030921411324
Energy: 2.2145160641400974
Energy: 1.663030921411324
Energy: 1.657626281505916
Energy: 1.8683558850243995
Energy: 1.657626281505916
Energy: 1.8683558850243995
Energy: 1.657626281505916
Energy: 1.8683558850243995
Energy: 1.7784766391253013
Energy: 1.2750329694614346
Energy: 1.7784766391253013
Energy: 1.2750329694614346
Energy: 1.7784766391253013
Energy: 1.2750329694614346
Energy: 1.277586836057184
Energy: 1.6332629738123485
Energy: 1.277586836057184
Energy: 1.6332629738155384
Energy: 1.277586836053994
Energy: 1.6332629738123485
Energy: 1.8723875856539771
Energy: 1.5874879597840081
Energy: 1.8723875856539771
Energy: 1.5874879597840081
Energy: 1.8723875856539771
Energy: 1.5874879597840081
Energy: 1.1831243637438895
Energy: 1.6806993827941017
Energy: 1.1831243637438895
Energy: 1.6806993827909114
Energy: 1.1831243637406992
Energy: 1.6806993827941017

minimum gb energy = 1.1830215292026054 eV
minimum distance =  2.49444288364312 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.4023847603477004
Energy: 1.2408564272422868
Energy: 1.4023847603477004
Energy: 1.2408564272422868
Energy: 1.4023847603477004
Energy: 1.2408564272422868
Energy: 1.3834604924872502
Energy: 1.2210354035633215
Energy: 1.3834604924872502
Energy: 1.2210354035633215
Energy: 1.3834604924872502
Energy: 1.2210354035633215
Energy: 1.163604568317179
Energy: 2.347981090946823
Energy: 1.163604568317179
Energy: 2.347981090946823
Energy: 1.163604568317179
Energy: 2.347981090948955
Energy: 1.3834555770338572
Energy: 1.221014355578948
Energy: 1.3834555770338572
Energy: 1.221014355578948
Energy: 1.3834555770338572
Energy: 1.221014355578948
Energy: 1.4023847603477004
Energy: 1.2408564272422868
Energy: 1.4023847603477004
Energy: 1.2408564272422868
Energy: 1.4023847603477004
Energy: 1.2408564272422868
Energy: 1.3834604924872502
Energy: 1.2210354035654536
Energy: 1.3834604924872502
Energy: 1.2210354035654536
Energy: 1.3834604924872502
Energy: 1.2210354035654536
Energy: 1.1636045683193108
Energy: 2.347981090946823
Energy: 1.163604568317179
Energy: 2.347981090948955
Energy: 1.163604568317179
Energy: 2.347981090946823

minimum gb energy = 1.163604568317179 eV
minimum distance =  2.60338052606958 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.8693899133831071
Energy: 1.6210169595910036
Energy: 1.8183462381049864
Energy: 1.6210169595910036
Energy: 1.8693899133831071
Energy: 1.6210169595910036
Energy: 1.9132204004456619
Energy: 1.7191997627602513
Energy: 1.9132204004456619
Energy: 1.7191997627602513
Energy: 1.9132204004456619
Energy: 1.7191997627602513
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Energy: 1.8707451141066251
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Energy: 1.6520648148868868
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Energy: 2.055353863767725
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Energy: 1.666748244604216
Energy: 2.1900430555143044
Energy: 1.9056832894025568
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Energy: 1.7478475055854583
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Energy: 1.670670832351651
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Energy: 1.6706708323545527
Energy: 2.1416359622462733
Energy: 1.6706708323545527
Energy: 1.8010366917035738
Energy: 2.0722061909365586
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Energy: 1.8010366917064753
Energy: 2.0722061909365586
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Energy: 1.9277206605485042
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Energy: 1.927720660551406
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Energy: 1.784980675947371
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Energy: 1.7849732190469887
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Energy: 2.169694837788855
Energy: 1.5841211840875649
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Energy: 1.5841211840875649
Energy: 2.1696948377946583
Energy: 1.5841211840875649
Energy: 1.521834127664101
Energy: 2.1679634416211075
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Energy: 2.167963441618206
Energy: 1.521834127664101
Energy: 2.167963441618206
Energy: 1.727360534330229
Energy: 1.9279920073921382
Energy: 1.727360534330229
Energy: 1.9279920073921382
Energy: 1.727360534330229
Energy: 1.9279920073921382
Energy: 1.87344286432078
Energy: 1.807840420942747
Energy: 1.8734431201452102
Energy: 1.807840420936944
Energy: 1.8734428643178789
Energy: 1.807840420936944
Energy: 2.2389530839266936
Energy: 1.61692871219046
Energy: 2.2389530839266936
Energy: 1.61692871219046
Energy: 2.2389530839266936
Energy: 1.61692871219046
Energy: 1.682535554565056
Energy: 2.166369146899333
Energy: 1.682535554565056
Energy: 2.1663691468964315
Energy: 1.682535554565056
Energy: 2.1663691468964315
Energy: 1.7292974796144922
Energy: 1.7222005876040942
Energy: 1.7292974796173934
Energy: 1.7222005876069957
Energy: 1.7292974796144922
Energy: 1.7222005876069957
Energy: 2.060035910763406
Energy: 1.770781940367557
Energy: 2.0600359107663078
Energy: 1.770781940367557
Energy: 2.0600359107663078
Energy: 1.770781940367557
Energy: 2.208902869254595
Energy: 1.8678628164441655
Energy: 2.208902869251694
Energy: 1.8678628164470668
Energy: 2.208902869254595
Energy: 1.8678628164470668
Energy: 1.6512846291691872
Energy: 2.114228617428515
Energy: 1.6512850740539224
Energy: 2.1142286174342653
Energy: 1.6512846291691872
Energy: 2.1142286174342653
Energy: 1.5855726894007856
Energy: 1.7344965425211303
Energy: 1.5855726894007856
Energy: 1.7344965425211303
Energy: 1.5855726894007856
Energy: 1.7344965425211303
Energy: 1.8936042187987665
Energy: 1.7612623740451276
Energy: 1.8936042187987665
Energy: 1.7612623740451276
Energy: 1.8936042187987665
Energy: 1.7612623740451276
Energy: 2.1107716950000683
Energy: 2.1503920048315766
Energy: 2.1107716950000683
Energy: 2.1503920048315766
Energy: 2.110771694997167
Energy: 2.1503920048315766
Energy: 1.8143818790134765
Energy: 2.124938602194596
Energy: 1.8142741630886612
Energy: 2.124938602191695
Energy: 1.8143818790134765
Energy: 2.124938602191695

minimum gb energy = 1.5165411002383309 eV
minimum distance =  2.52694252918734 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.9146725433333471
Energy: 1.7765978244284173
Energy: 1.8670322794818865
Energy: 1.7765978244268246
Energy: 1.9146725433329486
Energy: 1.7765978244268246
Energy: 1.5882289966690786
Energy: 1.804760178683624
Energy: 1.5882289966682823
Energy: 1.8047601786844207
Energy: 1.5882289966670873
Energy: 1.8047601786844207
Energy: 1.6925959967522897
Energy: 1.9579247685750403
Energy: 1.7176682547656763
Energy: 1.9579247685754388
Energy: 1.692595996751891
Energy: 1.957924768575837
Energy: 1.6611536042432353
Energy: 2.0649641072350047
Energy: 1.6611536042432353
Energy: 2.0649641072361993
Energy: 1.661153604242837
Energy: 2.0649641072361993
Energy: 1.6035032209873823
Energy: 1.6285660492190313
Energy: 1.6035032209865856
Energy: 1.6285660492190313
Energy: 1.6035032209861877
Energy: 1.6285660492190313
Energy: 1.7058527973609092
Energy: 1.962636675115939
Energy: 1.7058527973605109
Energy: 1.9626366751163369
Energy: 1.7058527973613076
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Energy: 1.7235513137092107
Energy: 1.950778019106996
Energy: 1.723567513360549
Energy: 1.9507780191061999
Energy: 1.7235513137108036
Energy: 1.9507780191077928
Energy: 1.8341212729858458
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Energy: 1.834119778769865
Energy: 1.9621318841453503
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Energy: 2.0257135685518555
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Energy: 2.025713568552254
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Energy: 1.753959066911889
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Energy: 1.753959066909898
Energy: 1.6893198678669126
Energy: 1.809467817498256
Energy: 1.6893198678685055
Energy: 1.8094678175006456
Energy: 1.6893198678685055
Energy: 1.8094678175006456
Energy: 1.9153659227563988
Energy: 1.9559223436519177
Energy: 1.915365922757195
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Energy: 1.915365922756001
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Energy: 2.0854986410737193
Energy: 1.7473819879556955
Energy: 2.0854986410725247
Energy: 1.7473819879552974
Energy: 2.08549864107133
Energy: 1.747381987954899
Energy: 1.8135473960495683
Energy: 1.547586255369466
Energy: 1.8135473960495683
Energy: 1.547586255371457
Energy: 1.8135473960511612
Energy: 1.5475862553710586
Energy: 1.7769163134341046
Energy: 1.8167243539821905
Energy: 1.7769163134333084
Energy: 1.8167243539813938
Energy: 1.7769163134329105
Energy: 1.8167243539813938
Energy: 1.7844136473117205
Energy: 1.803372884586704
Energy: 1.7847101269618975
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Energy: 2.0460467477586426
Energy: 1.733976214361513
Energy: 2.046046747759837
Energy: 1.733976214361513
Energy: 2.0460467477578463
Energy: 1.733976214361513
Energy: 1.831787162359097
Energy: 1.7499540309329622
Energy: 1.8317871623598934
Energy: 1.749954030934157
Energy: 1.8317871623586985
Energy: 1.749954030934157
Energy: 1.6307877443981182
Energy: 1.8016443408377913
Energy: 1.6307877443973218
Energy: 1.801644340839384
Energy: 1.6307877443961274
Energy: 1.801644340838986
Energy: 2.025937225117159
Energy: 1.9424479120293363
Energy: 1.9782046014544283
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Energy: 2.025937225117159
Energy: 1.9424479120313274
Energy: 2.0904720805315646
Energy: 1.7835344593202522
Energy: 2.024275156213271
Energy: 1.7835344593210487
Energy: 2.090472080532361
Energy: 1.7835344593210487
Energy: 1.8866142941217618
Energy: 1.848908733340571
Energy: 1.8866142941217618
Energy: 1.848908733340969
Energy: 1.8866142941213637
Energy: 1.848908733340969
Energy: 1.800226606674256
Energy: 1.7730029507978342
Energy: 1.8002266066750525
Energy: 1.7730029507958434
Energy: 1.8002266066750525
Energy: 1.7730029507958434
Energy: 2.1854305352459256
Energy: 1.8821207614005822
Energy: 2.185430535246722
Energy: 1.882120761401777
Energy: 2.185430535246324
Energy: 1.8821207614013784
Energy: 1.6564557437855238
Energy: 1.6558592625524862
Energy: 1.6564557437859222
Energy: 1.6558592625504946
Energy: 1.6564557437859222
Energy: 1.6558592625512911
Energy: 1.7507204661712148
Energy: 1.7794264960824422
Energy: 1.7509878006313357
Energy: 1.7794264960828403
Energy: 1.7507204661704185
Energy: 1.7794264960824422
Energy: 1.8046146059854156
Energy: 1.5865000718228799
Energy: 1.804609482688496
Energy: 1.5865000718212872
Energy: 1.8046146059874066
Energy: 1.5865000718216853
Energy: 1.9590439441898417
Energy: 1.6325815243037787
Energy: 1.9590439441898417
Energy: 1.632581524302584
Energy: 1.9590439441902399
Energy: 1.6325815243029824
Energy: 2.0665798110648597
Energy: 2.0823816115121585
Energy: 2.0665798110644613
Energy: 2.0823816115137515
Energy: 2.0665798110640634
Energy: 2.0823816115141494
Energy: 1.5640609535079169
Energy: 1.82967183626262
Energy: 1.564060953508315
Energy: 1.8296718362610271
Energy: 1.564060953508315
Energy: 1.8296718362618238
Energy: 1.6947864962116743
Energy: 1.7594410787831387
Energy: 1.6947864962108778
Energy: 1.7594410787811474
Energy: 1.6947864962120724
Energy: 1.759441078780749
Energy: 1.929038104513279
Energy: 1.6491371231185663
Energy: 1.929038104512881
Energy: 1.6491371231193628
Energy: 1.9290381045136775
Energy: 1.6491371231193628
Energy: 1.83516453113278
Energy: 2.1278751377380645
Energy: 1.8351684715473056
Energy: 2.1278751377372678
Energy: 1.8351645311331783
Energy: 2.1278751377368694
Energy: 1.84263825330021
Energy: 1.8484279095749967
Energy: 1.8426382533006083
Energy: 1.8484279095749967
Energy: 1.8426382533010062
Energy: 1.8484279095745983
Energy: 1.8017444801882536
Energy: 1.8862800799427013
Energy: 1.8017444801882536
Energy: 1.8862800799419048
Energy: 1.8017444801894482
Energy: 1.8862800799419048
Energy: 1.9466450901994452
Energy: 1.9549474009568404
Energy: 1.9466450901998433
Energy: 1.9549474009568404
Energy: 1.9466450902002417
Energy: 1.9549474009568404

minimum gb energy = 1.547586255369466 eV
minimum distance =  2.55488281692662 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.150134375277462
Energy: 1.5192417010974966
Energy: 2.150134375277462
Energy: 1.5192417010979855
Energy: 2.150134375277462
Energy: 1.5192417010979855
Energy: 1.833164283957653
Energy: 1.8501122232378997
Energy: 1.833164283957653
Energy: 1.8501122232383889
Energy: 1.833164283957653
Energy: 1.8501122232383889
Energy: 1.5804417474489532
Energy: 2.0531217811175253
Energy: 1.5804417474489532
Energy: 2.0531217811170364
Energy: 1.580441747449442
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Energy: 1.9151633109910515
Energy: 1.7300102603561582
Energy: 1.9151633109915405
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Energy: 1.7300102603561582
Energy: 1.9448628143936655
Energy: 1.6596602442158122
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Energy: 1.689348172553775
Energy: 2.0222679661363014
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Energy: 2.0222679661358125
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Energy: 2.0222679661363014
Energy: 1.9629233591870356
Energy: 2.0715689266387947
Energy: 1.962923359187525
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Energy: 1.962923359187525
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Energy: 1.8695473707135084
Energy: 1.6722106525702665
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Energy: 1.731781343654964
Energy: 1.8815130734300984
Energy: 1.731781343655453
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Energy: 1.731781343655453
Energy: 1.571146743423018
Energy: 1.8682022727140584
Energy: 1.571146743423018
Energy: 1.8682022727140584
Energy: 1.571146743423018
Energy: 1.8682022727145473
Energy: 2.117801579202866
Energy: 1.8081171948787496
Energy: 2.117801579203355
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Energy: 2.117801579203355
Energy: 1.8081171948787496
Energy: 1.8851349228390575
Energy: 1.7533010302515792
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Energy: 1.8851349228390575
Energy: 1.7533010302515792
Energy: 1.7942218215239816
Energy: 1.9537296928702785
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Energy: 1.9537296928702785
Energy: 1.7426241722890028
Energy: 2.098535952623514
Energy: 1.7426241722890028
Energy: 2.098535952623025
Energy: 1.7426241722890028
Energy: 2.098535952623514
Energy: 1.833466997536446
Energy: 1.6387385640072007
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Energy: 1.6387385640072007
Energy: 1.833466997536446
Energy: 1.6387385640072007
Energy: 1.7608796214983506
Energy: 1.7185725964538447
Energy: 1.7608796214978617
Energy: 1.7185725964538447
Energy: 1.7608796214978617
Energy: 1.7185725964538447
Energy: 1.8104437170087082
Energy: 1.811161173785775
Energy: 1.8104437170091976
Energy: 1.811161173785775
Energy: 1.8104437170087082
Energy: 1.811161173785775
Energy: 2.113479796020608
Energy: 1.8258666270622053
Energy: 2.113479796020608
Energy: 1.8258666270626946
Energy: 2.113479796020608
Energy: 1.8258666270626946
Energy: 2.1334626682002855
Energy: 1.765096255488432
Energy: 2.1334626682002855
Energy: 1.765096255488432
Energy: 2.1334626682002855
Energy: 1.765096255488432
Energy: 1.726871513655477
Energy: 1.8383690106466786
Energy: 1.726871513655477
Energy: 1.8383690106466786
Energy: 1.726871513655477
Energy: 1.8383690106461894
Energy: 1.7995435989084685
Energy: 1.6796597040597452
Energy: 1.7995435989079798
Energy: 1.6796597040597452
Energy: 1.7995435989084685
Energy: 1.679659704059256
Energy: 1.991886147514328
Energy: 1.4676386853303605
Energy: 1.991886147514328
Energy: 1.4676386853303605
Energy: 1.991886147514328
Energy: 1.4676386853303605
Energy: 1.7867265593025479
Energy: 1.8425650195123096
Energy: 1.7867265593025479
Energy: 1.8425650195118204
Energy: 1.7867265593025479
Energy: 1.8425650195118204
Energy: 1.6219861884563325
Energy: 1.955837043449301
Energy: 1.6219861884568214
Energy: 1.955837043449301
Energy: 1.621986188455843
Energy: 1.955837043449301
Energy: 1.8635207712675692
Energy: 1.7065199895448184
Energy: 1.8635207712675692
Energy: 1.706519989544329
Energy: 1.8635207712675692
Energy: 1.7065199895448184
Energy: 2.0626721152497534
Energy: 1.6179357983711526
Energy: 2.0626721152497534
Energy: 1.6179357983711526
Energy: 2.0626721152497534
Energy: 1.6179357983711526
Energy: 1.7150833294322758
Energy: 1.8929459282971686
Energy: 1.7150833294317869
Energy: 1.8929459282971686
Energy: 1.7150833294322758
Energy: 1.8929459282971686
Energy: 1.776532459575376
Energy: 1.7318452547814462
Energy: 1.776532459575376
Energy: 1.7318452547809569
Energy: 1.776532459575376
Energy: 1.7318452547814462
Energy: 1.9379862168551074
Energy: 1.667108084955006
Energy: 1.9379862168551074
Energy: 1.667108084955006
Energy: 1.9379862168551074
Energy: 1.667108084955006
Energy: 1.9100434172886314
Energy: 2.069663730745694
Energy: 1.9100434172881422
Energy: 2.069663730745694
Energy: 1.9100434172886314
Energy: 2.069663730745694
Energy: 1.7198095533540578
Energy: 1.9911030867534938
Energy: 1.7198095533540578
Energy: 1.9911030867534938
Energy: 1.7198095533535687
Energy: 1.9911030867534938

minimum gb energy = 1.4676386853303605 eV
minimum distance =  2.49860667871186 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.0462509303243634
Energy: 1.4944844523345704
Energy: 2.0462509303243634
Energy: 1.4944844523345704
Energy: 2.0462509303237297
Energy: 1.4944844523345704
Energy: 1.607607953598297
Energy: 1.7077478441311376
Energy: 1.6076079535989305
Energy: 1.7077478441311376
Energy: 1.6076079535989305
Energy: 1.7077478441311376
Energy: 1.5265189075251502
Energy: 2.012703357013389
Energy: 1.5265189075251502
Energy: 2.012703357013389
Energy: 1.5265189075251502
Energy: 2.0127033570140225
Energy: 1.9873273695118054
Energy: 1.810384959505612
Energy: 1.9873273695111722
Energy: 1.8103849595062453
Energy: 1.9873273695118054
Energy: 1.8103849595062453
Energy: 2.0124568986663176
Energy: 1.7868574736429355
Energy: 2.012456898666951
Energy: 1.7868574736435685
Energy: 2.012456898666951
Energy: 1.7868574736429355
Energy: 1.526751569639215
Energy: 1.656066152548025
Energy: 1.526751569639215
Energy: 1.6560661525486584
Energy: 1.526751569639215
Energy: 1.6560661525486584
Energy: 1.8948735563731387
Energy: 1.749339542936263
Energy: 1.8948735563731387
Energy: 1.749339542936263
Energy: 1.8948735563731387
Energy: 1.749339542936263
Energy: 1.8928406588979438
Energy: 1.7481472788837495
Energy: 1.8928406588979438
Energy: 1.7481472788837495
Energy: 1.8928406588979438
Energy: 1.7481472788837495
Energy: 1.7506826636807036
Energy: 1.7104352163924648
Energy: 1.750682663681337
Energy: 1.7104352163924648
Energy: 1.7506826636807036
Energy: 1.7104352163924648
Energy: 1.2795740596424465
Energy: 1.5788816870944733
Energy: 1.279574059641813
Energy: 1.5788816870944733
Energy: 1.279574059641813
Energy: 1.5788816870944733
Energy: 1.852994775030835
Energy: 1.8107884943566124
Energy: 1.852994775030835
Energy: 1.810788494357246
Energy: 1.852994775030835
Energy: 1.8107884943566124
Energy: 1.702601394784693
Energy: 1.84396953258018
Energy: 1.7026013947827932
Energy: 1.8439695325808132
Energy: 1.7026013947840597
Energy: 1.84396953258018
Energy: 1.5848271603423842
Energy: 1.8579199798955048
Energy: 1.5848271603423842
Energy: 1.8579199798955048
Energy: 1.5848271603417508
Energy: 1.8579199798948713
Energy: 1.7959500238840655
Energy: 1.6205787197754016
Energy: 1.7959500238840655
Energy: 1.6205787197754016
Energy: 1.795950023884699
Energy: 1.6205787197754016
Energy: 2.0373223229942052
Energy: 1.7421853492097028
Energy: 2.037322322993572
Energy: 1.7421853492103363
Energy: 2.0373223229942052
Energy: 1.7421853492097028
Energy: 1.805753810304925
Energy: 2.0188151750650873
Energy: 1.8057538103042918
Energy: 2.0188151750650873
Energy: 1.805753810304925
Energy: 2.018815175064454
Energy: 1.5306179868201746
Energy: 1.6108823747914842
Energy: 1.530617986819541
Energy: 1.6108823747914842
Energy: 1.5306179868201746
Energy: 1.6108823747914842
Energy: 1.7965537979759132
Energy: 1.4822887009961032
Energy: 1.7965537979765467
Energy: 1.4822887009961032
Energy: 1.7965537979765467
Energy: 1.4822887009961032
Energy: 1.5307130523667407
Energy: 1.6110576997892057
Energy: 1.5307130523667407
Energy: 1.6110576997892057
Energy: 1.5307130523667407
Energy: 1.6110576997898391
Energy: 1.8056079737046036
Energy: 2.0188133514193005
Energy: 1.8056079737039705
Energy: 2.0188133514186672
Energy: 1.8056079737039705
Energy: 2.0188133514186672
Energy: 2.0372099248549835
Energy: 1.7452497109599052
Energy: 2.0372099248543503
Energy: 1.745249710959272
Energy: 2.0372099248549835
Energy: 1.7452497109599052
Energy: 1.7958912458614942
Energy: 1.7199063455890142
Energy: 1.7958912458621277
Energy: 1.7199063455890142
Energy: 1.7958912458614942
Energy: 1.7199063455890142
Energy: 1.5848474635338228
Energy: 1.8579080977970606
Energy: 1.5848474635338228
Energy: 1.8579080977970606
Energy: 1.5848474635338228
Energy: 1.8579080977970606
Energy: 1.7023319149516318
Energy: 1.8442369906269431
Energy: 1.7023319149528984
Energy: 1.84423699062631
Energy: 1.7023319149528984
Energy: 1.84423699062631

minimum gb energy = 1.279574059641813 eV
minimum distance =  2.59582284323786 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.9807411582983692
Energy: 1.6544296285297646
Energy: 1.9807411582983692
Energy: 1.6544296285297646
Energy: 1.9807411582983692
Energy: 1.6544296285297646
Energy: 1.5294211939462212
Energy: 1.7330360612256042
Energy: 1.5294211939462212
Energy: 1.7330360612256042
Energy: 1.5294211939462212
Energy: 1.7330360612256042
Energy: 1.4305284492789891
Energy: 1.5851838936638685
Energy: 1.4305284492798849
Energy: 1.5851838936647642
Energy: 1.4305284492789891
Energy: 1.5851838936638685
Energy: 1.7151187310727212
Energy: 1.796119341283341
Energy: 1.715118731073617
Energy: 1.796119341283341
Energy: 1.715118731073617
Energy: 1.796119341283341
Energy: 1.7348686683657724
Energy: 1.726478197339199
Energy: 1.7348686683657724
Energy: 1.726478197339199
Energy: 1.7348686683657724
Energy: 1.726478197339199
Energy: 1.6181568622114104
Energy: 1.67491770535972
Energy: 1.6181568622114104
Energy: 1.6749177053588247
Energy: 1.6181568622114104
Energy: 1.67491770535972
Energy: 1.7227788069333438
Energy: 1.4679724035457462
Energy: 1.7227788069333438
Energy: 1.4679724035457462
Energy: 1.7227788069333438
Energy: 1.4679724035457462
Energy: 1.7150256650152238
Energy: 1.7993716172870462
Energy: 1.7150256650152238
Energy: 1.7993716172870462
Energy: 1.715025665014328
Energy: 1.7993716172870462
Energy: 1.3742657918780266
Energy: 1.7268557439359271
Energy: 1.3742657918789223
Energy: 1.7268557439359271
Energy: 1.3742657918789223
Energy: 1.7268557439359271
Energy: 1.6585406000241378
Energy: 1.5096762166227595
Energy: 1.6585406000250336
Energy: 1.5096762166236548
Energy: 1.6585406000241378
Energy: 1.5096762166236548
Energy: 1.8618449771944015
Energy: 1.5126871618983417
Energy: 1.861844977195297
Energy: 1.5126871618983417
Energy: 1.8618449771944015
Energy: 1.5126871618983417
Energy: 1.580557236468092
Energy: 1.7142016758000171
Energy: 1.580557236468092
Energy: 1.7142016757991212
Energy: 1.580557236468092
Energy: 1.7142016758000171
Energy: 1.415931641814985
Energy: 1.601152120252243
Energy: 1.415931641814985
Energy: 1.601152120252243
Energy: 1.415931641814985
Energy: 1.601152120252243
Energy: 1.530268521919256
Energy: 1.3664647968428363
Energy: 1.530268521919256
Energy: 1.3664647968428363
Energy: 1.530268521919256
Energy: 1.3664647968428363
Energy: 1.7453096890794937
Energy: 1.7648071166627826
Energy: 1.7453096890794937
Energy: 1.7648071166627826
Energy: 1.7453096890794937
Energy: 1.7648071166627826
Energy: 1.655884501172074
Energy: 1.8652830281187907
Energy: 1.655884501172074
Energy: 1.8652830281187907
Energy: 1.655884501172074
Energy: 1.8652830281187907
Energy: 1.5273204874870518
Energy: 1.3655090373201715
Energy: 1.5273204874870518
Energy: 1.3655090373201715
Energy: 1.5273204874870518
Energy: 1.3655090373201715

minimum gb energy = 1.3655090373201715 eV
minimum distance =  2.58004483077514 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.8308047299945729
Energy: 1.3021153807752908
Energy: 1.8308047299945729
Energy: 1.3021153807787496
Energy: 1.8308047299945729
Energy: 1.3021153807787496
Energy: 1.445114082865741
Energy: 1.5188052097381184
Energy: 1.445114082865741
Energy: 1.5188052097381184
Energy: 1.445114082865741
Energy: 1.5188052097381184
Energy: 1.2613625558379227
Energy: 1.4213603152796952
Energy: 1.2613625558379227
Energy: 1.4213603152796952
Energy: 1.2613625558379227
Energy: 1.4213603152796952
Energy: 1.6013317402068037
Energy: 1.25236818653396
Energy: 1.6013317402068037
Energy: 1.25236818653396
Energy: 1.6013317402068037
Energy: 1.25236818653396
Energy: 1.7442635417991657
Energy: 1.5703257584128392
Energy: 1.7442635417991657
Energy: 1.5703257584128392
Energy: 1.7442635417991657
Energy: 1.5703257584162977
Energy: 1.2200297921208978
Energy: 1.412195360730606
Energy: 1.2200297921208978
Energy: 1.412195360730606
Energy: 1.2200297921208978
Energy: 1.412195360730606
Energy: 1.4674457004829833
Energy: 1.4338765679018253
Energy: 1.4674457004829833
Energy: 1.4338765678983663
Energy: 1.4674457004829833
Energy: 1.4338765679018253
Energy: 1.673951810486955
Energy: 1.567075459942797
Energy: 1.673951810486955
Energy: 1.567075459942797
Energy: 1.673951810486955
Energy: 1.567075459942797
Energy: 1.4213856471870843
Energy: 1.498476506828816
Energy: 1.4213856471870843
Energy: 1.498476506828816
Energy: 1.4213856471870843
Energy: 1.498476506828816
Energy: 1.4740050720393962
Energy: 1.2545765689779806
Energy: 1.4740050720393962
Energy: 1.2545765689745219
Energy: 1.4740050720393962
Energy: 1.2545765689745219
Energy: 1.5957157641161248
Energy: 1.581786759396955
Energy: 1.5957157641161248
Energy: 1.581786759396955
Energy: 1.5957157641161248
Energy: 1.581786759396955
Energy: 1.2898524329035517
Energy: 1.62932712686457
Energy: 1.2898524329035517
Energy: 1.62932712686457
Energy: 1.2898524329035517
Energy: 1.62932712686457
Energy: 1.477515578026204
Energy: 1.4242120072569355
Energy: 1.477515578026204
Energy: 1.4242120072534767
Energy: 1.477515578026204
Energy: 1.4242120072534767
Energy: 1.7443528022847357
Energy: 1.370460522106155
Energy: 1.7443528022847357
Energy: 1.370460522106155
Energy: 1.7443528022847357
Energy: 1.370460522106155
Energy: 1.5169531680047725
Energy: 1.7057946202865055
Energy: 1.5169531680047725
Energy: 1.7057946202865055
Energy: 1.5169531680047725
Energy: 1.7057946202865055
Energy: 1.326121944617654
Energy: 1.3975817998154452
Energy: 1.326121944617654
Energy: 1.3975817998154452
Energy: 1.326121944617654
Energy: 1.3975817998154452
Energy: 1.3668990669301178
Energy: 1.2332379785313918
Energy: 1.3668990669301178
Energy: 1.2332379785313918
Energy: 1.3668990669301178
Energy: 1.2332379785313918
Energy: 1.6224814276623958
Energy: 1.612246603062298
Energy: 1.6224814276623958
Energy: 1.612246603062298
Energy: 1.6224814276623958
Energy: 1.612246603062298
Energy: 1.4693389920545323
Energy: 1.7502870123118186
Energy: 1.4693389920545323
Energy: 1.7502870123118186
Energy: 1.4693389920545323
Energy: 1.7502870123118186
Energy: 1.3661287715374826
Energy: 1.1812024820742586
Energy: 1.3661287715374826
Energy: 1.1812024820742586
Energy: 1.3661287715340866
Energy: 1.1812024820777174
Energy: 1.468999253824237
Energy: 1.750467373228404
Energy: 1.468999253824237
Energy: 1.750467373228404
Energy: 1.468999253824237
Energy: 1.750467373228404
Energy: 1.622447071707909
Energy: 1.6122358749699692
Energy: 1.622447071707909
Energy: 1.6122358749699692
Energy: 1.622447071707909
Energy: 1.6122358749699692
Energy: 1.3671994620169514
Energy: 1.2330986869618497
Energy: 1.3671994620169514
Energy: 1.2330986869618497
Energy: 1.3671994620169514
Energy: 1.2330986869618497
Energy: 1.3263183145979884
Energy: 1.471137855039668
Energy: 1.3263183145979884
Energy: 1.471137855039668
Energy: 1.3263183145979884
Energy: 1.471137855039668
Energy: 1.5169917896792586
Energy: 1.705806305092874
Energy: 1.5169917896792586
Energy: 1.705806305092874
Energy: 1.5169917896792586
Energy: 1.705806305092874
Energy: 1.7457886976541805
Energy: 1.370286429184297
Energy: 1.7457886976541805
Energy: 1.370286429180838
Energy: 1.7457886976541805
Energy: 1.370286429180838
Energy: 1.4774596483388276
Energy: 1.4243252862335594
Energy: 1.4774596483388276
Energy: 1.4243252862335594
Energy: 1.4774596483388276
Energy: 1.4243252862335594
Energy: 1.2893613388178375
Energy: 1.6293196926840319
Energy: 1.2893613388143788
Energy: 1.6293196926840319
Energy: 1.2893613388143788
Energy: 1.6293196926840319
Energy: 1.5959484958381764
Energy: 1.58177763595998
Energy: 1.5959484958381764
Energy: 1.58177763595998
Energy: 1.5959484958381764
Energy: 1.58177763595998
Energy: 1.4739544157349138
Energy: 1.286426520756705
Energy: 1.4739544157349138
Energy: 1.286426520756705
Energy: 1.4739544157349138
Energy: 1.286426520756705
Energy: 1.4214147666158938
Energy: 1.4988861266558966
Energy: 1.4214147666158938
Energy: 1.4988861266558966
Energy: 1.4214147666158938
Energy: 1.4988861266558966
Energy: 1.6741063083517702
Energy: 1.5665645415255687
Energy: 1.6741063083517702
Energy: 1.5665645415255687
Energy: 1.6741063083517702
Energy: 1.5665645415255687
Energy: 1.467797612422946
Energy: 1.4337392658049775
Energy: 1.4677976124194871
Energy: 1.4337392658049775
Energy: 1.4677976124194871
Energy: 1.4337392658049775
Energy: 1.2200785240587064
Energy: 1.4426591153860746
Energy: 1.2200785240587064
Energy: 1.4426591153860746
Energy: 1.2200785240587064
Energy: 1.4426591153860746
Energy: 1.7413143765416945
Energy: 1.394324287054281
Energy: 1.7413143765416945
Energy: 1.394324287054281
Energy: 1.7413143765416945
Energy: 1.394324287054281
Energy: 1.6011658555910495
Energy: 1.2410492984644244
Energy: 1.6011658555910495
Energy: 1.241049298467883
Energy: 1.6011658555910495
Energy: 1.2410492984644244
Energy: 1.261461745350077
Energy: 1.421394225179446
Energy: 1.261461745350077
Energy: 1.421394225179446
Energy: 1.261461745350077
Energy: 1.421394225179446
Energy: 1.4453136067137737
Energy: 1.5405956798452687
Energy: 1.4453136067137737
Energy: 1.5405956798487273
Energy: 1.4453136067137737
Energy: 1.5405956798452687
Energy: 1.8308047299945729
Energy: 1.3021153807787496
Energy: 1.8308047299945729
Energy: 1.3021153807787496
Energy: 1.8308047299945729
Energy: 1.3021153807787496
Energy: 1.4451140828692
Energy: 1.4256667812008736
Energy: 1.4451140828692
Energy: 1.4256667812008736
Energy: 1.4451140828692
Energy: 1.4256667812008736
Energy: 1.2613625558379227
Energy: 1.4213603152796952
Energy: 1.2613625558379227
Energy: 1.4213603152796952
Energy: 1.2613625558379227
Energy: 1.4213603152796952
Energy: 1.6013317402068037
Energy: 1.252368186537356
Energy: 1.6013317402068037
Energy: 1.25236818653396
Energy: 1.6013317402068037
Energy: 1.25236818653396
Energy: 1.7442635417957064
Energy: 1.5703257584128392
Energy: 1.7442635417957064
Energy: 1.5703257584128392
Energy: 1.7442635417991657
Energy: 1.5703257584162977

minimum gb energy = 1.1812024820742586 eV
minimum distance =  2.53074656352589 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.7241667184460072
Energy: 1.4082630572775963
Energy: 1.7241667184460072
Energy: 1.4082630572770332
Energy: 1.7241667184460072
Energy: 1.4082630572770332
Energy: 1.2926258097702914
Energy: 1.3029369363885905
Energy: 1.292625809769165
Energy: 1.3029369363891536
Energy: 1.2926258097702914
Energy: 1.3029369363891536
Energy: 1.2207218039346597
Energy: 1.2987671304960795
Energy: 1.2207218039340964
Energy: 1.2987671304960795
Energy: 1.2207218039346597
Energy: 1.2987671304960795
Energy: 1.595259293236619
Energy: 1.2578930341407952
Energy: 1.595259293237182
Energy: 1.2578930341413586
Energy: 1.595259293236619
Energy: 1.2578930341413586
Energy: 1.6152888011744886
Energy: 1.5202114228011268
Energy: 1.6152888011744886
Energy: 1.5202114228011268
Energy: 1.6152888011750515
Energy: 1.5202114228011268
Energy: 1.1434867064326144
Energy: 1.2676175820361963
Energy: 1.1434867064331775
Energy: 1.2676175820367592
Energy: 1.1434867064331775
Energy: 1.2676175820361963
Energy: 1.4887131411184444
Energy: 1.380708033264525
Energy: 1.4887131411178813
Energy: 1.3807080332650883
Energy: 1.4887131411178813
Energy: 1.3807080332650883
Energy: 1.4810418480941436
Energy: 1.3618508164567371
Energy: 1.4810418480952698
Energy: 1.36185081645899
Energy: 1.4810418480947067
Energy: 1.3618508164584266
Energy: 1.2498121679171208
Energy: 1.3731890817127261
Energy: 1.2498121679171208
Energy: 1.3731890817127261
Energy: 1.2498121679171208
Energy: 1.3731890817121633
Energy: 1.3580787366140463
Energy: 1.3851880918369677
Energy: 1.3580787366140463
Energy: 1.3851880918369677
Energy: 1.3580787366134832
Energy: 1.3851880918369677
Energy: 1.4506126121902938
Energy: 1.5323900085527378
Energy: 1.4506126121902938
Energy: 1.5323900085521747
Energy: 1.4506126121902938
Energy: 1.5323900085521747
Energy: 1.1180473573536154
Energy: 1.4876709920734401
Energy: 1.1180473573541785
Energy: 1.4876709920728768
Energy: 1.1180473573536154
Energy: 1.4876709920734401
Energy: 1.361904068931917
Energy: 1.2176977567926897
Energy: 1.361904068931917
Energy: 1.2176977567921263
Energy: 1.3619040689324802
Energy: 1.2176977567921263
Energy: 1.5285532110397773
Energy: 1.3598648159078208
Energy: 1.528553211039214
Energy: 1.3598648159072577
Energy: 1.5285532110397773
Energy: 1.3598648159078208
Energy: 1.1870546458530553
Energy: 1.6261083012073907
Energy: 1.1870546458513658
Energy: 1.6261083012073907
Energy: 1.1870546458530553
Energy: 1.6261083012073907
Energy: 1.295299551113787
Energy: 1.2871825404108566
Energy: 1.295299551114913
Energy: 1.2871825404114199
Energy: 1.29529955111435
Energy: 1.2871825404114199
Energy: 1.6626939937510183
Energy: 1.2688897737535825
Energy: 1.6626939937510183
Energy: 1.2688897737530191
Energy: 1.6626939937515814
Energy: 1.2688897737535825
Energy: 1.385102304576754
Energy: 1.6208438905166693
Energy: 1.3851023045772661
Energy: 1.6208438905177958
Energy: 1.3851023045761908
Energy: 1.6208438905166693
Energy: 1.2249294135271378
Energy: 1.2908748011740812
Energy: 1.2249294135271378
Energy: 1.2908748011746443
Energy: 1.224929413527701
Energy: 1.2908748011740812
Energy: 1.4082751784652332
Energy: 1.1624716965920705
Energy: 1.4082751784646699
Energy: 1.1624716965920705
Energy: 1.4082751784641068
Energy: 1.1624716965926336
Energy: 1.4581522145089219
Energy: 1.5196105420907144
Energy: 1.4581522145083587
Energy: 1.5196105420895882
Energy: 1.4581522145083587
Energy: 1.5196105420901513
Energy: 1.22088525457676
Energy: 1.6027520620939535
Energy: 1.2208852545756335
Energy: 1.6027520620933904
Energy: 1.2208852545756335
Energy: 1.6027520620939535
Energy: 1.3038354148982547
Energy: 1.0988883181598212
Energy: 1.3038354148988178
Energy: 1.0988883181598212
Energy: 1.3038354148982547
Energy: 1.0988883181598212
Energy: 1.415688923989776
Energy: 1.379790002050363
Energy: 1.415688923989213
Energy: 1.3797900020497997
Energy: 1.415688923989776
Energy: 1.3797900020497997
Energy: 1.3678605074881685
Energy: 1.4753726454407936
Energy: 1.3678605074881685
Energy: 1.4753726454413567
Energy: 1.3678605074881685
Energy: 1.4753726454407936
Energy: 1.2949317230518664
Energy: 1.0992793638829408
Energy: 1.2949317230524298
Energy: 1.099279363883504
Energy: 1.2949317230518664
Energy: 1.0992793638823775
Energy: 1.178869040451207
Energy: 1.6062377541714745
Energy: 1.178869040451207
Energy: 1.6062377541714745
Energy: 1.178869040451207
Energy: 1.6062377541720376

minimum gb energy = 1.0988883181598212 eV
minimum distance =  2.54325452768891 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.5886648514623398
Energy: 1.2583891205179834
Energy: 1.5886648514623398
Energy: 1.2583891205179834
Energy: 1.5886648514619295
Energy: 1.2583891205179834
Energy: 1.123323417459828
Energy: 1.2631804953927392
Energy: 1.123323417459828
Energy: 1.2631804953927392
Energy: 1.1233234174602384
Energy: 1.2631804953931496
Energy: 1.0704105524938041
Energy: 1.14938793705488
Energy: 1.0704105524942142
Energy: 1.1493879370544697
Energy: 1.0704105524942142
Energy: 1.14938793705488
Energy: 1.4739663387505353
Energy: 1.0203806495282328
Energy: 1.4739663387505353
Energy: 1.0203806495290535
Energy: 1.4739663387505353
Energy: 1.020380649528643
Energy: 1.1558500202082191
Energy: 1.3382277740416315
Energy: 1.1558500201926267
Energy: 1.3382277740416315
Energy: 1.1558500202082191
Energy: 1.3382277740416315
Energy: 0.9936285069515433
Energy: 1.12309208694014
Energy: 0.9936285069515433
Energy: 1.1230920869405505
Energy: 0.9936285069515433
Energy: 1.12309208694014
Energy: 1.383137881075513
Energy: 1.106935102550725
Energy: 1.383137881075513
Energy: 1.106935102550725
Energy: 1.383137881075513
Energy: 1.1069351025511351
Energy: 1.3868399154992699
Energy: 1.3126510663289281
Energy: 1.3868399154988595
Energy: 1.3126510663285178
Energy: 1.3868399154988595
Energy: 1.3126510663289281
Energy: 0.9537837160157191
Energy: 1.2472168810159028
Energy: 0.9537837160161294
Energy: 1.2472168810159028
Energy: 0.9537837160157191
Energy: 1.2472168810159028
Energy: 1.384360170996982
Energy: 1.0660378467781264
Energy: 1.3843601709965716
Energy: 1.0660378467781264
Energy: 1.384360170996982
Energy: 1.066037846777716
Energy: 1.30000108665538
Energy: 1.3721798675765529
Energy: 1.3000010866549696
Energy: 1.3721798675765529
Energy: 1.30000108665538
Energy: 1.3721798675765529
Energy: 1.1109468792110613
Energy: 1.1919592537720736
Energy: 1.1109468792114718
Energy: 1.191959253772484
Energy: 1.1109468792114718
Energy: 1.1919592537733046
Energy: 1.1751166541705427
Energy: 1.1055198747265889
Energy: 1.1751166541701321
Energy: 1.1055198747265889
Energy: 1.1751166541701321
Energy: 1.1055198747261783
Energy: 1.268301907607925
Energy: 1.3787122101385625
Energy: 1.268301907607925
Energy: 1.3787122101381524
Energy: 1.268301907607925
Energy: 1.3787122101381524
Energy: 1.057714836823279
Energy: 1.4482639589756923
Energy: 1.057714836823689
Energy: 1.448263958975282
Energy: 1.057714836823279
Energy: 1.4482639589756923
Energy: 1.2245411235142527
Energy: 0.9925261188290886
Energy: 1.224541123514663
Energy: 0.9925261188294989
Energy: 1.224541123514663
Energy: 0.9925261188290886
Energy: 1.3373363757031218
Energy: 1.4096574351910702
Energy: 1.3373363757031218
Energy: 1.4096574351914803
Energy: 1.3373363757023011
Energy: 1.4096574351914803
Energy: 0.9701731870746069
Energy: 1.3971836426704092
Energy: 0.9701731870746069
Energy: 1.3971836426708195
Energy: 0.9701731870741965
Energy: 1.3971836426708195
Energy: 1.1883384026842938
Energy: 1.0642062096190152
Energy: 1.1883384026851145
Energy: 1.064206209618605
Energy: 1.1883384026842938
Energy: 1.0642062096190152
Energy: 1.4248818458482964
Energy: 1.1412903662502667
Energy: 1.424881845849117
Energy: 1.1412903662510874
Energy: 1.4248818458487067
Energy: 1.1412903662502667
Energy: 1.0336625256260454
Energy: 1.5549713050465415
Energy: 1.033662525625635
Energy: 1.554971305046952
Energy: 1.0336625256260454
Energy: 1.554971305046952
Energy: 1.1640189358783595
Energy: 1.1218531820125657
Energy: 1.1640189358779494
Energy: 1.1218531820125657
Energy: 1.1640189358779494
Energy: 1.1218531820125657
Energy: 1.430788813836975
Energy: 1.0948687451043038
Energy: 1.430788813836975
Energy: 1.0948687451043038
Energy: 1.430788813836975
Energy: 1.0948687451038934
Energy: 1.1291561090704774
Energy: 1.5515475869126452
Energy: 1.1291561090708877
Energy: 1.5515475869126452
Energy: 1.1291561090708877
Energy: 1.5515475869126452
Energy: 1.0584425059723077
Energy: 1.1438267853777468
Energy: 1.0584425059723077
Energy: 1.1438267853777468
Energy: 1.0584425059723077
Energy: 1.1438267853773365
Energy: 1.2221299214677166
Energy: 1.0145641230593851
Energy: 1.2221299214681267
Energy: 1.0145641230593851
Energy: 1.2221299214681267
Energy: 1.0145641230597955
Energy: 1.1615810146672922
Energy: 1.4457877807254327
Energy: 1.1615810146672922
Energy: 1.4457877807254327
Energy: 1.1615810146672922
Energy: 1.4457877807254327
Energy: 1.0770771023739878
Energy: 1.4018965461164414
Energy: 1.0770771023735772
Energy: 1.4018965461160313
Energy: 1.0770771023739878
Energy: 1.4018965461160313
Energy: 1.1511627605363075
Energy: 0.9462038061743596
Energy: 1.1511627605363075
Energy: 0.9462038061743596
Energy: 1.1511627605363075
Energy: 0.9462038061743596
Energy: 1.061526067613431
Energy: 1.363973456917102
Energy: 1.061526067613431
Energy: 1.3639734569175126
Energy: 1.0615260676138414
Energy: 1.3639734569175126
Energy: 1.1992648401299095
Energy: 1.4096329035412605
Energy: 1.1992648401299095
Energy: 1.4096329035412605
Energy: 1.1992648401299095
Energy: 1.4096329035412605
Energy: 1.1763919510955527
Energy: 0.9159841659169219
Energy: 1.1763919510955527
Energy: 0.9159841659165116
Energy: 1.1763919510955527
Energy: 0.9159841659165116
Energy: 1.1110095029060554
Energy: 1.3781588924692085
Energy: 1.1110095029060554
Energy: 1.3781588924692085
Energy: 1.111009502905645
Energy: 1.3781588924692085
Energy: 1.315907922010067
Energy: 1.4242985246411173
Energy: 1.3159079220096563
Energy: 1.4242985246411173
Energy: 1.315907922010067
Energy: 1.4242985246407072
Energy: 1.207348635389386
Energy: 1.0232084780230941
Energy: 1.2073486353889757
Energy: 1.0232084780235042
Energy: 1.207348635389386
Energy: 1.0232084780235042
Energy: 0.9506607753163109
Energy: 1.3878902714583883
Energy: 0.9506607753175419
Energy: 1.387890271457978
Energy: 0.9506607753241072
Energy: 1.387890271457978

minimum gb energy = 0.9159841659165116 eV
minimum distance =  2.50783780446893 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.36140841806997187
Energy: 0.41957308608025656
Energy: 0.0854826124849377
Energy: 0.41957308608025656
Energy: 0.36140841806997187
Energy: 0.41957308608025656
Energy: 1.0017816345555652
Energy: 0.08660896677516355
Energy: 1.0017816345555652
Energy: 0.08660896677516355
Energy: 1.0017816345555652
Energy: 0.08660896677667118
Energy: 1.0222740437274425
Energy: 0.08645120126539683
Energy: 1.0222740437274425
Energy: 0.08645120126539683
Energy: 1.0222740437274425
Energy: 0.08645120126539683
Energy: 0.0854826124849377
Energy: 0.41957308608025656
Energy: 0.0854826124849377
Energy: 0.41957308608025656
Energy: 0.0854826124849377
Energy: 0.41957308608025656
Energy: 1.0017816345555652
Energy: 0.08660896677516355
Energy: 1.0017816345555652
Energy: 0.08660896677516355
Energy: 1.0017816345555652
Energy: 0.08660896677667118
Energy: 1.0222740437274425
Energy: 0.08645120126539683
Energy: 1.0222740437274425
Energy: 0.08645120126539683
Energy: 1.0222740437274425
Energy: 0.08645120126539683
Energy: 0.36140841806997187
Energy: 0.41957308608025656
Energy: 0.0854826124849377
Energy: 0.41957308608025656
Energy: 0.36140841806997187
Energy: 0.41957308608025656
Energy: 1.0017816345555652
Energy: 0.08660896677516355
Energy: 1.0017816345555652
Energy: 0.08660896677516355
Energy: 1.0017816345555652
Energy: 0.08660896677667118
Energy: 1.0222740437274425
Energy: 0.08645120126539683
Energy: 1.0222740437259348
Energy: 0.08645120126539683
Energy: 1.0222740437274425
Energy: 0.08645120126539683
Energy: 0.0854826124849377
Energy: 0.41957308608025656
Energy: 0.0854826124849377
Energy: 0.41957308608025656
Energy: 0.0854826124849377
Energy: 0.41957308608025656

minimum gb energy = 0.0854826124849377 eV
minimum distance =  2.73401752696515 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.6374606080370078
Energy: 1.0158975553727505
Energy: 1.6374606080370078
Energy: 1.0158975553732015
Energy: 1.637460608037459
Energy: 1.0158975553732015
Energy: 1.1388410362444097
Energy: 1.2215022600580352
Energy: 1.1388410362444097
Energy: 1.221502260057584
Energy: 1.1388410362444097
Energy: 1.221502260057584
Energy: 1.231712130415134
Energy: 1.1977484230359063
Energy: 1.231712130415134
Energy: 1.1977484230359063
Energy: 1.231712130415134
Energy: 1.1977484230359063
Energy: 1.4924460546981828
Energy: 1.0196025716078492
Energy: 1.4924460546981828
Energy: 1.0196025716078492
Energy: 1.4924460546981828
Energy: 1.0196025716083004
Energy: 1.0667221503984405
Energy: 1.3197746025202906
Energy: 1.0667221503988917
Energy: 1.3197746025207417
Energy: 1.0667221503988917
Energy: 1.3197746025207417
Energy: 1.203395558509553
Energy: 1.2615320207801997
Energy: 1.203395558509553
Energy: 1.2615320207797485
Energy: 1.203395558509553
Energy: 1.2615320207801997
Energy: 1.3332716965149067
Energy: 1.110159829685159
Energy: 1.333271696515358
Energy: 1.11015982968561
Energy: 1.3332716965149067
Energy: 1.11015982968561
Energy: 1.0622898643088554
Energy: 1.2666568524185284
Energy: 1.0622898643084042
Energy: 1.2666568524185284
Energy: 1.0622898643084042
Energy: 1.2666568524185284
Energy: 1.3470500409966624
Energy: 1.2757278755318067
Energy: 1.3470500409966624
Energy: 1.2757278755412809
Energy: 1.3470500409966624
Energy: 1.2757278755444392
Energy: 1.4386713042681165
Energy: 1.0224815194489874
Energy: 1.4386713042681165
Energy: 1.0224815194489874
Energy: 1.4386713042676653
Energy: 1.0224815194489874
Energy: 1.1409875204666273
Energy: 1.52171107978085
Energy: 1.1409875204661761
Energy: 1.52171107978085
Energy: 1.1409875204666273
Energy: 1.52171107978085
Energy: 1.3673053968766853
Energy: 1.3120315670559812
Energy: 1.3673053968766853
Energy: 1.3120315670559812
Energy: 1.367305396876234
Energy: 1.3120315670564324
Energy: 1.3034255641265329
Energy: 1.0212928129112007
Energy: 1.3034255641265329
Energy: 1.0212928129112007
Energy: 1.3034255641265329
Energy: 1.0212928129112007
Energy: 1.043425138072101
Energy: 1.3320866039868042
Energy: 1.0434251380716502
Energy: 1.332086603986353
Energy: 1.0434251380716502
Energy: 1.332086603986353
Energy: 1.1417865629928188
Energy: 1.340646950322783
Energy: 1.1417865629928188
Energy: 1.340646950322783
Energy: 1.1417865629928188
Energy: 1.3406469503232339
Energy: 1.3620779787466717
Energy: 1.0725990303120532
Energy: 1.3620779787462207
Energy: 1.0725990303120532
Energy: 1.3620779787466717
Energy: 1.0725990303120532
Energy: 1.1314972921454403
Energy: 1.4305600219033876
Energy: 1.131497292144989
Energy: 1.4305600219033876
Energy: 1.1314972921458917
Energy: 1.4305600219033876
Energy: 1.0951431776849851
Energy: 1.236215216540761
Energy: 1.0951431776845342
Energy: 1.236215216540761
Energy: 1.0951431776845342
Energy: 1.2362152165412121
Energy: 1.221273816768076
Energy: 1.1314779945731996
Energy: 1.221273816768076
Energy: 1.1314779945731996
Energy: 1.221273816768076
Energy: 1.1314779945731996
Energy: 1.0987852802905453
Energy: 1.5342288280321426
Energy: 1.0987852802905453
Energy: 1.5342288280321426
Energy: 1.0987852802909965
Energy: 1.5342288280325935
Energy: 1.1726234234245578
Energy: 1.1610513296335194
Energy: 1.1726234234245578
Energy: 1.1610513296339706
Energy: 1.1726234234250092
Energy: 1.1610513296339706
Energy: 1.5619921939315915
Energy: 1.153123198500252
Energy: 1.5619921939315915
Energy: 1.1531231984998007
Energy: 1.5619921939320425
Energy: 1.153123198500252
Energy: 1.0461394596172764
Energy: 1.5363031698185967
Energy: 1.0461394596177276
Energy: 1.5363031698185967
Energy: 1.0461394596177276
Energy: 1.5363031698185967
Energy: 1.2333264142678626
Energy: 1.078715144078734
Energy: 1.2333264142674114
Energy: 1.078715144078734
Energy: 1.2333264142674114
Energy: 1.0787151440778315
Energy: 1.432765067247262
Energy: 1.18066590060712
Energy: 1.432765067247262
Energy: 1.1806659006075713
Energy: 1.4327650672463597
Energy: 1.1806659006075713
Energy: 1.0027254899196894
Energy: 1.3634202003372697
Energy: 1.0027254899201408
Energy: 1.3634202003372697
Energy: 1.0027254899201408
Energy: 1.3634202003372697
Energy: 1.336066849169383
Energy: 1.1159148039232976
Energy: 1.3360668491702854
Energy: 1.1159148039232976
Energy: 1.3360668491689318
Energy: 1.1159148039232976
Energy: 1.336207557458863
Energy: 1.1829310690329677
Energy: 1.336207557458863
Energy: 1.1829310690329677
Energy: 1.336207557458863
Energy: 1.1829310690329677
Energy: 0.9639098380161254
Energy: 1.4599657106200816
Energy: 0.9639098380161254
Energy: 1.4599657106191795
Energy: 0.9639098380161254
Energy: 1.4599657106200816
Energy: 1.454170872171779
Energy: 1.1935684369846415
Energy: 1.454170872171779
Energy: 1.1935684369846415
Energy: 1.4541708721722302
Energy: 1.1935684369850925
Energy: 1.265884114610758
Energy: 1.0764504702342776
Energy: 1.265884114610758
Energy: 1.0764504702342776
Energy: 1.265884114610758
Energy: 1.0764504702342776
Energy: 1.0984242552551158
Energy: 1.1297591055276515
Energy: 1.098424255255567
Energy: 1.129759105525847
Energy: 1.098424255255567
Energy: 1.1297591055272003
Energy: 1.3375145151898298
Energy: 1.1292649294639312
Energy: 1.3375145151898298
Energy: 1.1292649294639312
Energy: 1.3375145151898298
Energy: 1.1292649294639312

minimum gb energy = 0.9639098380161254 eV
minimum distance =  2.59781365904424 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.720726523759362
Energy: 1.1934872979766626
Energy: 1.720726523759362
Energy: 1.1934872979773055
Energy: 1.7207265237587193
Energy: 1.1934872979773055
Energy: 1.3361516931437547
Energy: 1.4108313062949156
Energy: 1.3361516931437547
Energy: 1.410831306294273
Energy: 1.3361516931443975
Energy: 1.4108313062949156
Energy: 1.3808352770788241
Energy: 1.5648597041381522
Energy: 1.380835277079467
Energy: 1.5648597041368664
Energy: 1.3808352770788241
Energy: 1.5648597041368664
Energy: 1.5885385695256014
Energy: 1.1784193532982623
Energy: 1.5885385695256014
Energy: 1.1784193532989051
Energy: 1.5885385695256014
Energy: 1.1784193532982623
Energy: 1.2546486003122392
Energy: 1.4044452506534268
Energy: 1.2546486003135247
Energy: 1.4044452506534268
Energy: 1.2546486003122392
Energy: 1.4044452506534268
Energy: 1.4221030482179
Energy: 1.471846914018429
Energy: 1.4221030482172572
Energy: 1.471846914018429
Energy: 1.4221030482179
Energy: 1.471846914018429
Energy: 1.6666518934659824
Energy: 1.274474214876433
Energy: 1.6666518934646966
Energy: 1.2744742148770756
Energy: 1.6666518934659824
Energy: 1.274474214876433
Energy: 1.4534108410627555
Energy: 1.641378055870001
Energy: 1.4534108410627555
Energy: 1.641378055870644
Energy: 1.4534108410621127
Energy: 1.641378055870644
Energy: 1.3452123730728518
Energy: 1.5150483928130318
Energy: 1.3452123730728518
Energy: 1.5150483928130318
Energy: 1.3452123730728518
Energy: 1.5150483928130318
Energy: 1.5298697877727987
Energy: 1.267834898045826
Energy: 1.529869787773442
Energy: 1.267834898045826
Energy: 1.5298697877727987
Energy: 1.267834898045826
Energy: 1.3336614372036162
Energy: 1.564977724192401
Energy: 1.333661437204902
Energy: 1.564977724192401
Energy: 1.333661437204902
Energy: 1.564977724192401
Energy: 1.2600413059496105
Energy: 1.4521468910584026
Energy: 1.2600413059489677
Energy: 1.4521468910590454
Energy: 1.2600413059489677
Energy: 1.4521468910590454
Energy: 1.289532361852021
Energy: 1.3322393971797286
Energy: 1.289532361852021
Energy: 1.3322393971797286
Energy: 1.289532361852021
Energy: 1.3322393971797286
Energy: 1.2759128628071805
Energy: 1.6810160220771628
Energy: 1.2759128628071805
Energy: 1.6810160220778056
Energy: 1.2759128628071805
Energy: 1.6810160220771628
Energy: 1.2812513880851573
Energy: 1.3466526081181844
Energy: 1.2812513880858003
Energy: 1.3466526081188275
Energy: 1.2812513880858003
Energy: 1.3466526081194703
Energy: 1.7082635736908132
Energy: 1.3484577185971014
Energy: 1.7082635736908132
Energy: 1.3484577185971014
Energy: 1.7082635736908132
Energy: 1.3484577185971014
Energy: 1.2078264828575174
Energy: 1.5717531139060137
Energy: 1.2078264828575174
Energy: 1.5717531139053706
Energy: 1.2078264828575174
Energy: 1.5717531139053706
Energy: 1.4039544548809386
Energy: 1.2530568297129836
Energy: 1.4039544548802958
Energy: 1.2530568297129836
Energy: 1.403954454879653
Energy: 1.2530568297129836
Energy: 1.5179729625990022
Energy: 1.312560005767873
Energy: 1.5179729625990022
Energy: 1.312560005767873
Energy: 1.5179729625990022
Energy: 1.312560005767873
Energy: 1.3325066461266601
Energy: 1.713226286762243
Energy: 1.3325066461266601
Energy: 1.713226286762243
Energy: 1.3325066461266601
Energy: 1.7132262867616002
Energy: 1.581994819444198
Energy: 1.216950704801045
Energy: 1.581994819443555
Energy: 1.216950704800402
Energy: 1.581994819444198
Energy: 1.216950704800402
Energy: 1.5503026672953837
Energy: 1.4039961924843511
Energy: 1.5503026672953837
Energy: 1.4039961924843511
Energy: 1.5503026672960265
Energy: 1.4039961924843511
Energy: 1.247762127885286
Energy: 1.6370662410538703
Energy: 1.2477621278846431
Energy: 1.6370662410538703
Energy: 1.2477621278846431
Energy: 1.6370662410538703

minimum gb energy = 1.1784193532982623 eV
minimum distance =  2.50012346238922 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.8245188092966893
Energy: 1.2699695156593196
Energy: 1.8245188092966893
Energy: 1.269969515658912
Energy: 1.8245188092966893
Energy: 1.2699695156593196
Energy: 1.4480301858152522
Energy: 1.481380778808958
Energy: 1.4480301858148446
Energy: 1.481380778808958
Energy: 1.4480301858148446
Energy: 1.4813807788093656
Energy: 1.4676424046209744
Energy: 1.6398720260367239
Energy: 1.4676424046205665
Energy: 1.6398720260371318
Energy: 1.4676424046209744
Energy: 1.6398720260371318
Energy: 1.6897306865527106
Energy: 1.2839750578814728
Energy: 1.6897306865527106
Energy: 1.2839750578818807
Energy: 1.6897306865527106
Energy: 1.2839750578814728
Energy: 1.432772554910523
Energy: 1.6740426637593175
Energy: 1.432772554912562
Energy: 1.6740426637597254
Energy: 1.4327725549113388
Energy: 1.6740426637597254
Energy: 1.6318805399481413
Energy: 1.5625197479202753
Energy: 1.6318805399481413
Energy: 1.541449297437944
Energy: 1.6318805399481413
Energy: 1.5530389220125123
Energy: 1.8223103488340335
Energy: 1.5561245063804767
Energy: 1.8223103488340335
Energy: 1.5561245063800688
Energy: 1.8223103488340335
Energy: 1.5561245063808844
Energy: 1.4025342030903376
Energy: 1.6830366735194178
Energy: 1.40253420308993
Energy: 1.6830366735190099
Energy: 1.40253420308993
Energy: 1.6830366735194178
Energy: 1.376128861649675
Energy: 1.4779103276027457
Energy: 1.376128861649267
Energy: 1.4779103276027457
Energy: 1.376128861649675
Energy: 1.4779103276027457
Energy: 1.8869469362046278
Energy: 1.3552045049717658
Energy: 1.8869469362046278
Energy: 1.3552045049717658
Energy: 1.8869469362042195
Energy: 1.355204504972989
Energy: 1.3896962048659804
Energy: 1.6403200270985279
Energy: 1.3896962048655725
Energy: 1.64032002709812
Energy: 1.3896962048655725
Energy: 1.64032002709812
Energy: 1.443826101264939
Energy: 1.4601590597671577
Energy: 1.443826101264939
Energy: 1.4601590597675655
Energy: 1.443826101264939
Energy: 1.46015905976675
Energy: 1.7002756028156125
Energy: 1.4817744693516948
Energy: 1.7002756028156125
Energy: 1.4817744693516948
Energy: 1.7002756028156125
Energy: 1.4817744693516948
Energy: 1.4088684793852884
Energy: 1.6425434933433687
Energy: 1.4088684793852884
Energy: 1.6425434933429608
Energy: 1.4088684793852884
Energy: 1.6425434933433687
Energy: 1.5075888704269103
Energy: 1.4227847736086054
Energy: 1.5075888704265024
Energy: 1.4227847736086054
Energy: 1.5075888704260942
Energy: 1.4227847736086054
Energy: 1.6884837326540543
Energy: 1.4290747158570907
Energy: 1.6884837326540543
Energy: 1.4290747158574986
Energy: 1.6884837326544622
Energy: 1.4290747158574986
Energy: 1.475105765589069
Energy: 1.8411613323237614
Energy: 1.475105765589069
Energy: 1.8411613323237614
Energy: 1.4751057655894766
Energy: 1.8411613323237614
Energy: 1.613438725645375
Energy: 1.5552568865727718
Energy: 1.613438725645375
Energy: 1.555256886572364
Energy: 1.613438725645375
Energy: 1.5552568865727718
Energy: 1.7889394653275623
Energy: 1.5578711863982448
Energy: 1.7889394653275623
Energy: 1.5578711863990609
Energy: 1.7889394653275623
Energy: 1.5578711863986527
Energy: 1.4477727616043101
Energy: 1.8164914080084273
Energy: 1.4477727616039024
Energy: 1.816491408008835
Energy: 1.4477727616039024
Energy: 1.816491408008835
Energy: 1.573669264463364
Energy: 1.5195630962144306
Energy: 1.573669264463364
Energy: 1.5195630962144306
Energy: 1.573669264463364
Energy: 1.5195630962148383
Energy: 1.5766723194705607
Energy: 1.292468189793349
Energy: 1.5766723194705607
Energy: 1.292468189793349
Energy: 1.5766723194709684
Energy: 1.292468189793349
Energy: 1.3176580720069992
Energy: 1.6400461844748206
Energy: 1.317658072007407
Energy: 1.6400461844748206
Energy: 1.317658072007407
Energy: 1.6400461844748206
Energy: 1.8213284951514235
Energy: 1.4354351800703407
Energy: 1.8213284951510158
Energy: 1.4354351800703407
Energy: 1.8213284951514235
Energy: 1.4354351800699332
Energy: 1.3537557063563237
Energy: 1.4359887000591365
Energy: 1.353755706355916
Energy: 1.4359887000591365
Energy: 1.3537557063563237
Energy: 1.4359887000591365
Energy: 1.330980817751607
Energy: 1.777964080071724
Energy: 1.330980817751607
Energy: 1.777964080071724
Energy: 1.330980817751607
Energy: 1.777964080071724
Energy: 1.5175882194852917
Energy: 1.2886537493932135
Energy: 1.5175882194852917
Energy: 1.2886537493932135
Energy: 1.5175882194856996
Energy: 1.2886537493932135
Energy: 1.554075103867109
Energy: 1.7124087020861871
Energy: 1.554075103867109
Energy: 1.7124087020861871
Energy: 1.554075103867109
Energy: 1.712408702086595
Energy: 1.4533183862383596
Energy: 1.8164750962581842
Energy: 1.4533183862383596
Energy: 1.8164750962577765
Energy: 1.4533183862383596
Energy: 1.8164750962573686
Energy: 1.7856122063620292
Energy: 1.5279810420164046
Energy: 1.7856122063624371
Energy: 1.5279810420159967
Energy: 1.7856122063620292
Energy: 1.5279810420164046
Energy: 1.6265835154160668
Energy: 1.6016401881166378
Energy: 1.6265835154164745
Energy: 1.6016401881166378
Energy: 1.6265835154160668
Energy: 1.6016401881166378
Energy: 1.4310624337130964
Energy: 1.6685237102336217
Energy: 1.4310624337130964
Energy: 1.6685237102336217
Energy: 1.4310624337126887
Energy: 1.6685237102340293
Energy: 1.684093706281948
Energy: 1.4354687226199045
Energy: 1.684093706282764
Energy: 1.4354687226194969
Energy: 1.684093706282764
Energy: 1.4354687226194969
Energy: 1.5120925388610176
Energy: 1.3967323565963667
Energy: 1.5120925388606097
Energy: 1.3967323565963667
Energy: 1.5120925388614253
Energy: 1.3967323565963667
Energy: 1.4355944735411295
Energy: 1.7703793580752265
Energy: 1.4355944735411295
Energy: 1.7703793580748188
Energy: 1.4355944735411295
Energy: 1.7703793580752265
Energy: 1.8286088434886794
Energy: 1.324565590520654
Energy: 1.8286088434882715
Energy: 1.324565590520246
Energy: 1.828608843489087
Energy: 1.324565590520654
Energy: 1.4451478108792994
Energy: 1.4236292641965167
Energy: 1.4451478108797071
Energy: 1.4236292641965167
Energy: 1.4451478108792994
Energy: 1.4236292641961088

minimum gb energy = 1.269969515658912 eV
minimum distance =  2.54631293492549 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.9484413551142847
Energy: 1.4383888690998736
Energy: 1.9484413551142847
Energy: 1.4383888690998736
Energy: 1.9484413551142847
Energy: 1.438388869100987
Energy: 1.5975864105967175
Energy: 1.5788306011609916
Energy: 1.5975864105967175
Energy: 1.5788306011609916
Energy: 1.597586410595604
Energy: 1.5788306011609916
Energy: 1.7605745064199214
Energy: 1.7370435817828287
Energy: 1.7605745064199214
Energy: 1.7370435817828287
Energy: 1.7605745064199214
Energy: 1.7370435817828287
Energy: 2.0795418936132033
Energy: 1.6755269722885433
Energy: 2.0795418936132033
Energy: 1.6755269722885433
Energy: 2.07954189361209
Energy: 1.6755269722885433
Energy: 1.795599940993877
Energy: 1.9897576591910306
Energy: 1.795599940993877
Energy: 1.9897576591910306
Energy: 1.795599940993877
Energy: 1.9897576591910306
Energy: 1.834447403254301
Energy: 1.6474894241085463
Energy: 1.834447403254301
Energy: 1.6474894241085463
Energy: 1.8344474032554146
Energy: 1.6474894241085463
Energy: 2.023693059680753
Energy: 1.485592432822913
Energy: 2.023693059680753
Energy: 1.485592432822913
Energy: 2.023693059680753
Energy: 1.485592432822913
Energy: 1.618889536940612
Energy: 1.733588568062777
Energy: 1.618889536940612
Energy: 1.733588568062777
Energy: 1.618889536940612
Energy: 1.733588568062777
Energy: 1.6006414840875423
Energy: 1.636691370059891
Energy: 1.6006414840875423
Energy: 1.636691370059891
Energy: 1.6006414840864287
Energy: 1.636691370059891
Energy: 1.877021024427236
Energy: 1.4708000314015643
Energy: 1.877021024427236
Energy: 1.4708000314015643
Energy: 1.877021024427236
Energy: 1.4708000314015643
Energy: 1.5961459397092452
Energy: 1.8010355060297978
Energy: 1.5961459397092452
Energy: 1.8010355060297978
Energy: 1.5961459397092452
Energy: 1.8010355060297978
Energy: 1.6635390367730558
Energy: 1.5523397517301925
Energy: 1.6635390367730558
Energy: 1.5523397517301925
Energy: 1.6635390367730558
Energy: 1.5523397517301925
Energy: 1.8800464174466829
Energy: 1.6105600288891275
Energy: 1.8800464174455696
Energy: 1.6105600288891275
Energy: 1.8800464174466829
Energy: 1.6105600288891275
Energy: 1.8020611457539677
Energy: 1.9856543627899446
Energy: 1.8020611457550813
Energy: 1.9856543627899446
Energy: 1.8020611457539677
Energy: 1.9856543627899446

minimum gb energy = 1.4383888690998736 eV
minimum distance =  2.54840791793628 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.0612399109285953
Energy: 1.8013745337496316
Energy: 2.0612399109285953
Energy: 1.8013745337491422
Energy: 2.0612399109285953
Energy: 1.8013745337491422
Energy: 1.8215284905146512
Energy: 1.8561021582693402
Energy: 1.8215284905146512
Energy: 1.8561021582698296
Energy: 1.8215284905141618
Energy: 1.8561021582698296
Energy: 1.7810146814730068
Energy: 1.8462424320130062
Energy: 1.7810146814734957
Energy: 1.8462424320130062
Energy: 1.7810146814725174
Energy: 1.8462424320130062
Energy: 2.1279108112742895
Energy: 1.5456257547735246
Energy: 2.127910811274779
Energy: 1.5456257547735246
Energy: 2.127910811274779
Energy: 1.5456257547735246
Energy: 1.7962811620282229
Energy: 1.779671529012309
Energy: 1.7962811620277335
Energy: 1.7796715290127985
Energy: 1.7962811620277335
Energy: 1.7796715290127985
Energy: 1.7328878841246709
Energy: 1.8589151365701981
Energy: 1.7328878841246709
Energy: 1.8589151365701981
Energy: 1.7328878841246709
Energy: 1.8589151365701981
Energy: 1.9176704993765898
Energy: 1.6700461163787934
Energy: 1.9176704993765898
Energy: 1.6700461163783045
Energy: 1.9176704993770788
Energy: 1.6700461163783045
Energy: 1.8187826679494794
Energy: 1.8461157632670675
Energy: 1.8187826679494794
Energy: 1.8461157632670675
Energy: 1.8187826679494794
Energy: 1.8461157632670675
Energy: 1.7857888241376862
Energy: 1.7115170786745197
Energy: 1.785788824137197
Energy: 1.711517078675009
Energy: 1.7857888241376862
Energy: 1.711517078675009
Energy: 1.8724254622529395
Energy: 1.7328078150085344
Energy: 1.8724254622529395
Energy: 1.7328078150085344
Energy: 1.8724254622529395
Energy: 1.7328078150080453
Energy: 1.69301571440835
Energy: 1.9121934979061332
Energy: 1.69301571440835
Energy: 1.9121934979061332
Energy: 1.69301571440835
Energy: 1.9121934979061332
Energy: 1.7543004996220792
Energy: 1.9048822132092442
Energy: 1.7543004996220792
Energy: 1.9048822132092442
Energy: 1.7543004996220792
Energy: 1.9048822132092442
Energy: 2.008435188066415
Energy: 1.6747262076234062
Energy: 2.0084351880659255
Energy: 1.6747262076234062
Energy: 2.008435188066415
Energy: 1.6747262076234062
Energy: 1.7078674891748145
Energy: 1.9341702858726693
Energy: 1.7078674891743255
Energy: 1.9341702858726693
Energy: 1.7078674891748145
Energy: 1.9341702858721803
Energy: 1.790929532355984
Energy: 1.7871886709382585
Energy: 1.7909295323554946
Energy: 1.7871886709387474
Energy: 1.7909295323554946
Energy: 1.7871886709387474
Energy: 1.8969156393102617
Energy: 1.7396094073411432
Energy: 1.8969156393107507
Energy: 1.7396094073411432
Energy: 1.8969156393102617
Energy: 1.7396094073411432
Energy: 1.6716261629819895
Energy: 1.9758787671837577
Energy: 1.6716261629815001
Energy: 1.9758787671832687
Energy: 1.6716261629815001
Energy: 1.9758787671832687
Energy: 1.86220526851542
Energy: 1.8401189388845183
Energy: 1.86220526851542
Energy: 1.8401189388845183
Energy: 1.86220526851542
Energy: 1.8401189388845183
Energy: 2.01461465359461
Energy: 1.6023436997553127
Energy: 2.01461465359461
Energy: 1.6023436997548235
Energy: 2.0146146535941205
Energy: 1.6023436997548235
Energy: 1.7997584741093262
Energy: 1.8931976164175874
Energy: 1.7997584741093262
Energy: 1.8931976164170983
Energy: 1.7997584741093262
Energy: 1.8931976164175874
Energy: 1.8823088952066596
Energy: 1.7131310071209542
Energy: 1.8823088952066596
Energy: 1.7131310071214436
Energy: 1.8823088952066596
Energy: 1.7131310071214436
Energy: 1.9609460983591855
Energy: 1.7789313722532292
Energy: 1.9609460983591855
Energy: 1.77893137225274
Energy: 1.9609460983591855
Energy: 1.77893137225274
Energy: 1.7304198179814798
Energy: 1.9168915925302297
Energy: 1.7304198179814798
Energy: 1.9168915925302297
Energy: 1.7304198179814798
Energy: 1.9168915925302297
Energy: 1.8991810666341604
Energy: 1.7198524397633532
Energy: 1.8991810666346494
Energy: 1.7198524397638422
Energy: 1.8991810666341604
Energy: 1.7198524397633532
Energy: 1.88678267354054
Energy: 1.7172477542308562
Energy: 1.88678267354054
Energy: 1.7172477542308562
Energy: 1.88678267354054
Energy: 1.7172477542308562
Energy: 1.60945043318596
Energy: 1.98337916069822
Energy: 1.609450433186449
Energy: 1.98337916069822
Energy: 1.60945043318596
Energy: 1.98337916069822
Energy: 1.692916496655477
Energy: 1.9141725812187278
Energy: 1.692916496655477
Energy: 1.9141725812187278
Energy: 1.692916496655477
Energy: 1.9141725812187278
Energy: 1.9089317355010385
Energy: 1.7911925529553254
Energy: 1.9089317355010385
Energy: 1.7911925529558144
Energy: 1.9089317355015274
Energy: 1.7911925529558144
Energy: 1.6596377849397659
Energy: 1.9611425740728927
Energy: 1.6596377849397659
Energy: 1.9611425740724038
Energy: 1.6596377849397659
Energy: 1.9611425740724038
Energy: 1.7485015707839024
Energy: 1.787327656379125
Energy: 1.7485015707839024
Energy: 1.7873276563786356
Energy: 1.7485015707839024
Energy: 1.7873276563786356
Energy: 1.8481195922687401
Energy: 1.7700814002913154
Energy: 1.8481195922687401
Energy: 1.7700814002913154
Energy: 1.848119592269229
Energy: 1.7700814002913154

minimum gb energy = 1.5456257547735246 eV
minimum distance =  2.55079716338332 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.5471658981615521
Energy: 1.4577258359139047
Energy: 1.5471658981615521
Energy: 1.457725835914775
Energy: 1.5471658981615521
Energy: 1.457725835914775
Energy: 1.9766409198322947
Energy: 1.9067602633348595
Energy: 1.9766409198322947
Energy: 1.9067602633348595
Energy: 1.9766409198322947
Energy: 1.906760263333989
Energy: 1.7262298679941073
Energy: 1.637474048312503
Energy: 1.7262298679941073
Energy: 1.6374740483133734
Energy: 1.7262298679941073
Energy: 1.637474048312503
Energy: 2.0953232271346307
Energy: 1.8101580372880863
Energy: 2.095323227135501
Energy: 1.8101580372880863
Energy: 2.095323227135501
Energy: 1.8101580372880863
Energy: 1.726241167422916
Energy: 1.637448477308494
Energy: 1.726241167422916
Energy: 1.637448477308494
Energy: 1.726241167422916
Energy: 1.637448477309325
Energy: 1.9767296365100264
Energy: 1.5983493497873567
Energy: 1.976729636510897
Energy: 1.5983493497873567
Energy: 1.976729636510897
Energy: 1.5983493497873567
Energy: 1.5471658981624226
Energy: 1.4577258359156453
Energy: 1.5471658981624226
Energy: 1.4577258359156453
Energy: 1.5471658981624226
Energy: 1.4577258359156453
Energy: 1.9766409198314245
Energy: 1.906760263333989
Energy: 1.9766409198314245
Energy: 1.906760263333989
Energy: 1.9766409198314245
Energy: 1.906760263333989
Energy: 1.7262298679941073
Energy: 1.637474048312503
Energy: 1.7262298679941073
Energy: 1.637474048312503
Energy: 1.7262298679941073
Energy: 1.6374740483133734
Energy: 2.0953232271346307
Energy: 1.8107461251880914
Energy: 2.0953232271346307
Energy: 1.8107461251880914
Energy: 2.0953232271346307
Energy: 1.8107461251880914
Energy: 1.7262411674237863
Energy: 1.637448477309325
Energy: 1.7262411674237863
Energy: 1.637448477309325
Energy: 1.7262411674237863
Energy: 1.637448477309325
Energy: 1.976729636510897
Energy: 1.5983493497864865
Energy: 1.976729636510897
Energy: 1.5983493497864865
Energy: 1.976729636510897
Energy: 1.5983493497864865
Energy: 1.5471658981615521
Energy: 1.4577258359139047
Energy: 1.5471658981615521
Energy: 1.4577258359139047
Energy: 1.5471658981615521
Energy: 1.4577258359139047
Energy: 1.9766409198322947
Energy: 1.906760263333989
Energy: 1.9766409198322947
Energy: 1.906760263333989
Energy: 1.9766409198322947
Energy: 1.906760263333989
Energy: 1.7262298679941073
Energy: 1.637474048312503
Energy: 1.7262298679941073
Energy: 1.637474048312503
Energy: 1.7262298679941073
Energy: 1.6374740483133734
Energy: 2.0953232271346307
Energy: 1.810746125188962
Energy: 2.095323227135501
Energy: 1.8107461251880914
Energy: 2.095323227135501
Energy: 1.8107461251880914
Energy: 1.726241167422916
Energy: 1.637448477309325
Energy: 1.726241167422916
Energy: 1.637448477308494
Energy: 1.726241167422916
Energy: 1.637448477309325

minimum gb energy = 1.4577258359139047 eV
minimum distance =  2.57242683073447 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.640303313535025
Energy: 1.7504910038057313
Energy: 1.6403033135357359
Energy: 1.7504910038057313
Energy: 1.640303313535025
Energy: 1.7504910038050208
Energy: 1.68626042779423
Energy: 1.872020838325404
Energy: 1.68626042779423
Energy: 1.872020838325404
Energy: 1.6862604277949407
Energy: 1.8720208383261145
Energy: 1.7570799079338537
Energy: 1.6728304087095391
Energy: 1.7570799079331432
Energy: 1.672830408708828
Energy: 1.7570799079338537
Energy: 1.672830408708828
Energy: 1.7051869938318396
Energy: 1.8591841774859625
Energy: 1.7051869938318396
Energy: 1.8591841774866729
Energy: 1.7051869938325501
Energy: 1.8591841774866729
Energy: 2.087461271248065
Energy: 1.8904634268381026
Energy: 2.087461271248065
Energy: 1.8904634268373923
Energy: 2.087461271248065
Energy: 1.8904634268373923
Energy: 1.8958988244106214
Energy: 1.6270111070138347
Energy: 1.8958988244113317
Energy: 1.6270111070145452
Energy: 1.8958988244106214
Energy: 1.6270111070138347
Energy: 1.6144651200936762
Energy: 1.7336729159689503
Energy: 1.6144651200936762
Energy: 1.7336729159682398
Energy: 1.6144651200936762
Energy: 1.7336729159682398
Energy: 1.8627906133924985
Energy: 1.9921471297402649
Energy: 1.862790613393209
Energy: 1.9921471297416862
Energy: 1.8627906133924985
Energy: 1.9921471297409754
Energy: 1.9511300463500791
Energy: 1.810643757984826
Energy: 1.9511300463500791
Energy: 1.810643757984115
Energy: 1.9511300463500791
Energy: 1.810643757984826
Energy: 1.6144299709373682
Energy: 1.6780449740289036
Energy: 1.6144299709366579
Energy: 1.6780449740289036
Energy: 1.6144299709366579
Energy: 1.6780449740289036
Energy: 1.7921093022292132
Energy: 1.7100032815956212
Energy: 1.7921093022292132
Energy: 1.7100032815956212
Energy: 1.7921093022292132
Energy: 1.7100032815956212
Energy: 1.7478023053161684
Energy: 1.6293243181805044
Energy: 1.7478023053161684
Energy: 1.6293243181812154
Energy: 1.7478023053161684
Energy: 1.6293243181812154
Energy: 1.6562177836514822
Energy: 1.9902553940379901
Energy: 1.6562177836514822
Energy: 1.9902553940379901
Energy: 1.6562177836507714
Energy: 1.9902553940379901
Energy: 1.9985682646754712
Energy: 1.7956206567812982
Energy: 1.9985682646747605
Energy: 1.7956206567820092
Energy: 1.9985682646754712
Energy: 1.7956206567812982
Energy: 1.7674489156719353
Energy: 1.6730906602311209
Energy: 1.767448915672646
Energy: 1.6730906602318316
Energy: 1.7674489156719353
Energy: 1.6730906602311209
Energy: 1.7388746450792214
Energy: 1.765723651239816
Energy: 1.738874645078511
Energy: 1.7657236512391052
Energy: 1.7388746450778
Energy: 1.7657236512391052
Energy: 1.8625236880638032
Energy: 1.9338946097896808
Energy: 1.8625236880638032
Energy: 1.9338946097896808
Energy: 1.8625236880638032
Energy: 1.9338946097896808
Energy: 1.9000522190050675
Energy: 1.6718925574080088
Energy: 1.9000522190050675
Energy: 1.671892557407298
Energy: 1.9000522190050675
Energy: 1.6718925574080088
Energy: 1.6708178723032021
Energy: 1.7931068524980824
Energy: 1.6708178723032021
Energy: 1.7931068524980824
Energy: 1.6708178723032021
Energy: 1.7931068524980824
Energy: 1.8465962351445848
Energy: 1.7127852281912448
Energy: 1.8465962351445848
Energy: 1.7127852281912448
Energy: 1.8465962351460063
Energy: 1.7127852281912448
Energy: 1.7562988863443416
Energy: 1.6273917459981058
Energy: 1.7562988863443416
Energy: 1.6273917459988163
Energy: 1.7562988863443416
Energy: 1.6273917459988163

minimum gb energy = 1.6144299709366579 eV
minimum distance =  2.54643034127613 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.6574015488636211
Energy: 1.917751029507891
Energy: 1.6574015488636211
Energy: 1.9177510295084899
Energy: 1.6574015488636211
Energy: 1.9177510295084899
Energy: 1.6789118572422004
Energy: 1.6482987224960113
Energy: 1.6789118572422004
Energy: 1.6482987224960113
Energy: 1.6789118572416017
Energy: 1.6482987224960113
Energy: 1.736669755228845
Energy: 1.5756492416913028
Energy: 1.736669755228845
Energy: 1.5756492416913028
Energy: 1.7366697552294443
Energy: 1.5756492416913028
Energy: 1.526043073788574
Energy: 1.6194383179459768
Energy: 1.5260430737873756
Energy: 1.619438317945378
Energy: 1.526043073788574
Energy: 1.619438317944779
Energy: 1.6529363701620552
Energy: 1.8725055392026164
Energy: 1.6529363701614561
Energy: 1.8725055392026164
Energy: 1.6529363701620552
Energy: 1.872505539202072
Energy: 1.742705342543712
Energy: 1.6199298533237092
Energy: 1.7427053425365233
Energy: 1.6199298533243085
Energy: 1.7427053425383203
Energy: 1.6199298533243085
Energy: 1.6469422716336386
Energy: 1.6789370110448067
Energy: 1.6469422716342375
Energy: 1.6789370110454056
Energy: 1.6469422716342375
Energy: 1.6789370110454056
Energy: 1.621244212241698
Energy: 1.7385910656658374
Energy: 1.621244212242297
Energy: 1.7385910656658374
Energy: 1.621244212241698
Energy: 1.7385910656652384
Energy: 1.6648072025615979
Energy: 1.5259085492798798
Energy: 1.6648072025615979
Energy: 1.5259085492798798
Energy: 1.6648072025615979
Energy: 1.5259085492798798
Energy: 1.5262205073233122
Energy: 1.7427836315162315
Energy: 1.526220507322713
Energy: 1.7427836315162315
Energy: 1.526220507322713
Energy: 1.7427836315162315
Energy: 1.5261926749769916
Energy: 1.8805705720694337
Energy: 1.5261926749757935
Energy: 1.8805705720688348
Energy: 1.5261926749763928
Energy: 1.8805705720694337
Energy: 1.6793156163115406
Energy: 1.5765677051753229
Energy: 1.6793156163115406
Energy: 1.5765677051753229
Energy: 1.6793156163115406
Energy: 1.5765677051753229
Energy: 1.720751596936845
Energy: 1.6211061516893868
Energy: 1.720751596937444
Energy: 1.6211061516893868
Energy: 1.720751596936845
Energy: 1.6211061516899858
Energy: 1.6321100094102914
Energy: 1.662482498837557
Energy: 1.6321100094102914
Energy: 1.6624824988369578
Energy: 1.6321100094102914
Energy: 1.662482498837557
Energy: 1.7449392233345589
Energy: 1.6166802422034177
Energy: 1.744939223335757
Energy: 1.616680242204017
Energy: 1.7449392233351577
Energy: 1.616680242204017
Energy: 1.6504128268741083
Energy: 1.8242001078577161
Energy: 1.6504128268741083
Energy: 1.8242001078571173
Energy: 1.6504128268747076
Energy: 1.8242001078577161
Energy: 1.5783264777979664
Energy: 1.7368460103805692
Energy: 1.5783264777979664
Energy: 1.7368460103811685
Energy: 1.5783264777979664
Energy: 1.7368460103805692
Energy: 1.6186030567440284
Energy: 1.5730262481262158
Energy: 1.6186030567446272
Energy: 1.5730262481256165
Energy: 1.61860305674283
Energy: 1.5730262481262158
Energy: 1.6151885627973388
Energy: 1.650873146573109
Energy: 1.6151885260163787
Energy: 1.650873146573109
Energy: 1.6151885538613873
Energy: 1.650873146573109
Energy: 1.6574015488642202
Energy: 1.917751029507891
Energy: 1.657401548864819
Energy: 1.9177510295072917
Energy: 1.6574015488642202
Energy: 1.9177510295072917
Energy: 1.6789118572422004
Energy: 1.6482987224966106
Energy: 1.6789118572410024
Energy: 1.6482987224960113
Energy: 1.6789118572416017
Energy: 1.6482987224960113
Energy: 1.7366697552282462
Energy: 1.5756492416925008
Energy: 1.7366697552282462
Energy: 1.5756492416919021
Energy: 1.7366697552282462
Energy: 1.5756492416919021
Energy: 1.526043073788574
Energy: 1.619438317944779
Energy: 1.526043073788574
Energy: 1.619438317945378
Energy: 1.5260430737879747
Energy: 1.619438317945378
Energy: 1.6529363701644515
Energy: 1.8725055392026164
Energy: 1.6529363701626545
Energy: 1.872505539202072
Energy: 1.6529363701650506
Energy: 1.8725055392026164
Energy: 1.7427053425431127
Energy: 1.6199298533249071
Energy: 1.7427053425431127
Energy: 1.6199298533243085
Energy: 1.7427053425365233
Energy: 1.6199298533243085

minimum gb energy = 1.5259085492798798 eV
minimum distance =  2.55758569324684 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.5587734208188375
Energy: 1.82542824782106
Energy: 1.5587734208188375
Energy: 1.82542824782106
Energy: 1.5587734208188375
Energy: 1.82542824782106
Energy: 1.7963176970276598
Energy: 1.653724296728631
Energy: 1.7963176970281771
Energy: 1.653724296728631
Energy: 1.7963176970281771
Energy: 1.653724296728631
Energy: 1.970251008731498
Energy: 1.5090889708425195
Energy: 1.970251008731498
Energy: 1.5090889708425195
Energy: 1.970251008731498
Energy: 1.5090889708425195
Energy: 1.4966520972161763
Energy: 1.80009884859347
Energy: 1.4966520972156592
Energy: 1.80009884859347
Energy: 1.4966520972161763
Energy: 1.80009884859347
Energy: 1.649405558371923
Energy: 1.686468876051898
Energy: 1.649405558371923
Energy: 1.686468876051898
Energy: 1.649405558371923
Energy: 1.6864688760513806
Energy: 1.7378789183272971
Energy: 1.5157389424513035
Energy: 1.7378789183272971
Energy: 1.5157389424513035
Energy: 1.7378789183272971
Energy: 1.5157389424513035
Energy: 1.5415869156216848
Energy: 1.840869168003687
Energy: 1.5415869156216848
Energy: 1.840869168004204
Energy: 1.5415869156216848
Energy: 1.840869168004204
Energy: 1.5708287947667803
Energy: 1.947755058622078
Energy: 1.5708287947667803
Energy: 1.947755058622078
Energy: 1.5708287947672976
Energy: 1.947755058622078
Energy: 1.7495790965101532
Energy: 1.4743091736232994
Energy: 1.7495790965101532
Energy: 1.4743091736232994
Energy: 1.7495790965101532
Energy: 1.4743091736238163
Energy: 1.6788216265264955
Energy: 1.8362792653075275
Energy: 1.6788216265270126
Energy: 1.8362792653080449
Energy: 1.6788216265270126
Energy: 1.8362792653080449
Energy: 1.4864246336038585
Energy: 1.8700317601735819
Energy: 1.4864246336048927
Energy: 1.8700317601730645
Energy: 1.4864246336043756
Energy: 1.8700317601735819
Energy: 1.8213975968936722
Energy: 1.5047687859837282
Energy: 1.8213975968936722
Energy: 1.504768785983211
Energy: 1.8213975968936722
Energy: 1.5047687859837282
Energy: 1.8362765591280477
Energy: 1.6738159847626441
Energy: 1.8362765591280477
Energy: 1.6738159847626441
Energy: 1.8362765591280477
Energy: 1.6738159847626441
Energy: 1.5045610740161641
Energy: 1.7199335875363373
Energy: 1.5045610740166813
Energy: 1.7199335875363373
Energy: 1.5045610740161641
Energy: 1.7199335875363373
Energy: 1.8223859824368507
Energy: 1.6160328947610672
Energy: 1.8223859824368507
Energy: 1.6160328947605498
Energy: 1.8223859824368507
Energy: 1.6160328947605498
Energy: 1.8718755167708083
Energy: 1.4745674546974004
Energy: 1.8718755167708083
Energy: 1.4745674546979175
Energy: 1.8718755167708083
Energy: 1.4745674546979175
Energy: 1.5144098513490045
Energy: 1.906880760274025
Energy: 1.5144098513490045
Energy: 1.9068807602745426
Energy: 1.5144098513490045
Energy: 1.9068807602745426
Energy: 1.8205869387967686
Energy: 1.730678401574464
Energy: 1.8205869387972853
Energy: 1.730678401574464
Energy: 1.8205869387967686
Energy: 1.730678401574464
Energy: 1.7857485363498227
Energy: 1.5084296581708898
Energy: 1.7857485363498227
Energy: 1.5084296581703727
Energy: 1.7857485363498227
Energy: 1.5084296581703727
Energy: 1.5911499936106177
Energy: 1.8533836729980364
Energy: 1.5911499936106177
Energy: 1.8533836729980364
Energy: 1.5911499936095834
Energy: 1.8533836729980364
Energy: 1.4680807687727215
Energy: 1.8956329692720701
Energy: 1.4680807687732385
Energy: 1.8956329692777583
Energy: 1.4680807687727215
Energy: 1.8956329692762068
Energy: 1.909860740275523
Energy: 1.5086740675752548
Energy: 1.909860740275523
Energy: 1.5086740675752548
Energy: 1.909860740275523
Energy: 1.5086740675752548
Energy: 1.7568100093155272
Energy: 1.8888679260402275
Energy: 1.7568100093155272
Energy: 1.8888679260402275
Energy: 1.7568100093155272
Energy: 1.8888679260402275
Energy: 1.5430578266256287
Energy: 1.8475205726741102
Energy: 1.5430578266256287
Energy: 1.8475205726735928
Energy: 1.5430578266256287
Energy: 1.8475205726735928
Energy: 1.8734333150879994
Energy: 1.5085115966460618
Energy: 1.8734333150879994
Energy: 1.5085115966460618
Energy: 1.8734333150879994
Energy: 1.5085115966460618
Energy: 1.8755299719547243
Energy: 1.7843827154027074
Energy: 1.8755299719547243
Energy: 1.7843827154027074
Energy: 1.8755299719547243
Energy: 1.7843827154032248
Energy: 1.4782702898379314
Energy: 1.6688453624110808
Energy: 1.4782702898379314
Energy: 1.6688453624110808
Energy: 1.4782702898384483
Energy: 1.6688453624110808
Energy: 1.9208880106529076
Energy: 1.739169007957716
Energy: 1.9208880106523905
Energy: 1.7391690079582334
Energy: 1.9208880106529076
Energy: 1.739169007957716
Energy: 1.9111560619982761
Energy: 1.6311887648583443
Energy: 1.9111560619982761
Energy: 1.6311887648583443
Energy: 1.911156061997759
Energy: 1.6311887648583443

minimum gb energy = 1.4680807687727215 eV
minimum distance =  2.5300699385569 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.4787559263055305
Energy: 1.7346418125408392
Energy: 1.4787559263055305
Energy: 1.7346418125408392
Energy: 1.4787559263055305
Energy: 1.7346418125408392
Energy: 1.7819283624395668
Energy: 1.5672304504322776
Energy: 1.7819283624400215
Energy: 1.5672304504336412
Energy: 1.7819283624395668
Energy: 1.5672304504336412
Energy: 1.903875739444656
Energy: 1.4431364488245282
Energy: 1.903875739444656
Energy: 1.4431364488245282
Energy: 1.903875739444656
Energy: 1.4431364488245282
Energy: 1.3998232271334703
Energy: 1.904384605238228
Energy: 1.3998232271343793
Energy: 1.904384605238228
Energy: 1.3998232271343793
Energy: 1.904384605238228
Energy: 1.625157061059154
Energy: 1.8118029351765426
Energy: 1.6251570610596087
Energy: 1.811802935176997
Energy: 1.6251570610600632
Energy: 1.8118029351765426
Energy: 1.7459239186741857
Energy: 1.422013651396868
Energy: 1.745923918673731
Energy: 1.422013651396868
Energy: 1.7459239186741857
Energy: 1.4220136513964134
Energy: 1.5676810471887372
Energy: 1.729711566430427
Energy: 1.5676810471891918
Energy: 1.7297115664299725
Energy: 1.5676810471887372
Energy: 1.7297115664308815
Energy: 1.4198666777471916
Energy: 2.1571294428646746
Energy: 1.4198666777471916
Energy: 2.15712944286422
Energy: 1.4198666777471916
Energy: 2.15712944286422
Energy: 1.7463857068829658
Energy: 1.4238915017624179
Energy: 1.7463857068829658
Energy: 1.423891501761963
Energy: 1.7463857068825115
Energy: 1.4238915017624179
Energy: 1.8444214027830212
Energy: 1.783273440298479
Energy: 1.8444214027825667
Energy: 1.783273440298479
Energy: 1.8444214027821124
Energy: 1.783273440298479
Energy: 1.3986906647304844
Energy: 1.8032126789508993
Energy: 1.3986906647304844
Energy: 1.8032126789508993
Energy: 1.3986906647304844
Energy: 1.8032126789508993
Energy: 2.0670039323477254
Energy: 1.4369780886077625
Energy: 2.0670039323477254
Energy: 1.4369780886077625
Energy: 2.0670039323477254
Energy: 1.436978088607308
Energy: 1.7935455095866304
Energy: 1.4438643465624623
Energy: 1.7935455095870851
Energy: 1.4438643465624623
Energy: 1.7935455095866304
Energy: 1.4438643465629168
Energy: 1.471196658480548
Energy: 1.8218699384710018
Energy: 1.4711966584796388
Energy: 1.8218699384710018
Energy: 1.471196658480548
Energy: 1.821869938471456
Energy: 1.7339309121463158
Energy: 1.776227217948449
Energy: 1.7339309121472246
Energy: 1.776227217948449
Energy: 1.73393091214677
Energy: 1.7762272179480358
Energy: 1.9343972902799387
Energy: 1.4461443585729306
Energy: 1.9343972902799387
Energy: 1.4461443585729306
Energy: 1.9343972902799387
Energy: 1.4461443585724763
Energy: 1.3987694990577326
Energy: 1.996012754008348
Energy: 1.3987694990577326
Energy: 1.996012754008348
Energy: 1.3987694990577326
Energy: 1.996012754008348
Energy: 1.399200726551296
Energy: 2.012453551347531
Energy: 1.3992007265508415
Energy: 2.012453551347531
Energy: 1.399200726551296
Energy: 2.012453551347531
Energy: 1.7460450229405047
Energy: 1.423593213738525
Energy: 1.74604502294005
Energy: 1.4235932137380705
Energy: 1.7460450229405047
Energy: 1.423593213738525
Energy: 1.7267626989146632
Energy: 1.655419127019696
Energy: 1.7267626989151177
Energy: 1.6554191269696936
Energy: 1.7267626989142086
Energy: 1.6554191270433336
Energy: 1.4198196760957094
Energy: 1.9400262562067865
Energy: 1.4198196760948003
Energy: 1.9400262562067865
Energy: 1.4198196760957094
Energy: 1.9400262562067865
Energy: 2.0189297991820014
Energy: 1.4219241251402506
Energy: 2.018929799181547
Energy: 1.4219241251397958
Energy: 2.018929799181547
Energy: 1.4219241251402506
Energy: 1.7571885215666565
Energy: 1.6383282877934835
Energy: 1.7571885215643839
Energy: 1.638328287793029
Energy: 1.7571885215648384
Energy: 1.638328287793029
Energy: 1.3995625372538378
Energy: 1.6700747409569838
Energy: 1.3995625372529286
Energy: 1.6700747409574386
Energy: 1.399562537253383
Energy: 1.6700747409569838
Energy: 1.7588540007939097
Energy: 1.7028086951836687
Energy: 1.7588540007939097
Energy: 1.702808695184578
Energy: 1.758854000794819
Energy: 1.7028086951836687
Energy: 1.868901840865408
Energy: 1.4457765296877398
Energy: 1.8689018408663172
Energy: 1.4457765296877398
Energy: 1.8689018408658624
Energy: 1.4457765296877398
Energy: 1.471407580356847
Energy: 1.905104036679507
Energy: 1.471407580356847
Energy: 1.905104036679507
Energy: 1.471407580356847
Energy: 1.9051040366790524
Energy: 1.6838689810094545
Energy: 1.9861809714214196
Energy: 1.6838689810094545
Energy: 1.9861809714214196
Energy: 1.6838689810094545
Energy: 1.9861809714218739
Energy: 1.6711844569612975
Energy: 1.4429972924988497
Energy: 1.6711844569612975
Energy: 1.4429972924988497
Energy: 1.6711844569612975
Energy: 1.4429972924993042
Energy: 1.6113313272632033
Energy: 2.1894199674734085
Energy: 1.611331327263658
Energy: 2.1894199674734085
Energy: 1.6113313272632033
Energy: 2.1894199674734085
Energy: 1.3988243615311364
Energy: 1.7170614476563464
Energy: 1.3988243615306821
Energy: 1.7170614476563464
Energy: 1.3988243615306821
Energy: 1.7170614476563464
Energy: 1.779711689537989
Energy: 1.4218354034911684
Energy: 1.779711689537989
Energy: 1.4218354034911684
Energy: 1.779711689537989
Energy: 1.4218354034903002
Energy: 1.9384380509235855
Energy: 1.630547012460584
Energy: 1.9384380509235855
Energy: 1.630547012460584
Energy: 1.9384380509235855
Energy: 1.630547012460584

minimum gb energy = 1.3986906647304844 eV
minimum distance =  2.54493512906278 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.021502087937208595
Energy: 1.659051298624523
Energy: 0.021502087936830908
Energy: 1.659051298577648
Energy: 0.021502087936830908
Energy: 1.6590512985160013
Energy: 0.02279513030728813
Energy: 0.46884650680910056
Energy: 0.02279513030728813
Energy: 0.46884650680910056
Energy: 0.022795130307623847
Energy: 0.46884650680910056
Energy: 1.7077466538710437
Energy: 0.4679469459363587
Energy: 1.7077936313213988
Energy: 0.4679469464180747
Energy: 1.7082750096323809
Energy: 0.46794694640330303
Energy: 0.022795130306910445
Energy: 0.46884650680872286
Energy: 0.02279513030728813
Energy: 0.46884650680872286
Energy: 0.022795130306910445
Energy: 0.46884650680910056

minimum gb energy = 0.021502087936830908 eV
minimum distance =  2.76264393788521 Angstroms
sigma value = 1