Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614999085664749
cohesive_energy=3.5402517934376156
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4500211234222877e-19, 2.22186651249852e-19, 2.80006001617644e-19, 3.2500954109007e-19, 3.6110978500735796e-19, 3.908622051007379e-19, 4.15784062642608e-19, 4.36790200490982e-19, 4.54808278916946e-19, 4.70741925542076e-19, 4.851567087181739e-19, 4.982769331739999e-19, 5.1016187944501195e-19, 5.20832375827452e-19, 5.303108527941959e-19, 5.38621342994754e-19, 5.45792685608538e-19, 5.51848913285058e-19, 5.5682046738036e-19, 5.60742595780392e-19, 5.636697724907099e-19, 5.6566448240004e-19, 5.66803629986814e-19, 5.671657219060979e-19, 5.667876082204739e-19, 5.655731583319019e-19, 5.63382982873224e-19, 5.600440467679679e-19, 5.55335249640642e-19, 5.48979414933564e-19, 5.40620859433986e-19, 5.29796554094682e-19, 5.15921704444242e-19, 4.98265717937562e-19, 4.75960214839014e-19, 4.47978199926204e-19, 4.1306356671807596e-19, 3.6952762104239397e-19, 3.1497190447805995e-19, 2.46035050446942e-19, 1.581662364378264e-19, 4.5352173107984395e-20, -1.0030250577727259e-19, -2.8978568779157996e-19, -5.3950093796682e-19, -8.726863864201919e-19, -1.3218517992321898e-18, -1.94129334035244e-18, -2.8278257372436595e-18, -4.151800420515899e-18, -6.214474662660179e-18, -9.631757205318779e-18, -1.5870328604554318e-17, -2.91322175183586e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -2.67105988788208e-05 eV

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

Energy: 0.013653230869934417
Energy: 0.014406664729731759
Energy: 0.6376253964433024
Energy: 0.09842829907794172
Energy: 0.014406664729731759
Energy: 0.750588506284724
Energy: 0.014406664729731759
Energy: 0.7505885062828771
Energy: 0.637625396448808
Energy: 0.014406664729731759
Energy: 0.013653230869934417
Energy: 0.014406664729731759
Energy: 0.09842829907853409
Energy: 0.7505885062822498
Energy: 0.014406664729731759
Energy: 0.750588506284724

minimum gb energy = 0.013653230869934417 eV
minimum distance =  2.49300800976368 Angstroms
sigma value = 1


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

Energy: 1.2214052016732868
Energy: 0.7831310205159435
Energy: 0.8397848694914664
Energy: 0.838472450548418
Energy: 0.8227258599860401
Energy: 0.8581503282285539
Energy: 0.8024845512158306
Energy: 0.858150328227793
Energy: 0.8397652252663108
Energy: 0.8388942811409792
Energy: 1.323611147503337
Energy: 0.8388942811409792
Energy: 0.8031777855356415
Energy: 0.8010943772116018
Energy: 0.802094445558402
Energy: 0.8010943772123624
Energy: 1.1366791685311983
Energy: 0.8014992826258549
Energy: 0.8037518419854396
Energy: 0.8014992826258549
Energy: 0.8073891177688439
Energy: 0.9067468143270989
Energy: 0.8017746056015753
Energy: 0.9067468143263382
Energy: 0.8471521576691609
Energy: 0.8712475042418951
Energy: 0.8457355837349169
Energy: 0.8712475042418951
Energy: 0.8485804862868797
Energy: 0.8684668917808464
Energy: 0.8746140130263238
Energy: 0.8684668917808464
Energy: 0.8633269313700089
Energy: 0.9110355969461162
Energy: 0.8637960759528374
Energy: 0.9110355969453555
Energy: 0.871753220891599
Energy: 0.8990226770711274
Energy: 0.8639366384800345
Energy: 0.8990226770711274
Energy: 0.8614530205942511
Energy: 0.9105799480035212
Energy: 0.863316410089974
Energy: 0.9105799480035212
Energy: 0.8471748660765311
Energy: 0.909506323880518
Energy: 0.877452775137326
Energy: 0.9095063238797573
Energy: 0.8662996442130599
Energy: 0.8707960797773944
Energy: 0.8228920280133719
Energy: 0.8707960797773944
Energy: 0.8068159409526224
Energy: 0.871927589655095
Energy: 0.8481793693854376
Energy: 0.871927589655095
Energy: 0.8238591489020675
Energy: 0.8009427696725266
Energy: 0.8007853478551206
Energy: 0.8009427696725266
Energy: 0.8282186447400156
Energy: 0.8025567397458391
Energy: 0.8019710595127748
Energy: 0.8025567397458391
Energy: 0.8388814023652166
Energy: 0.8380945571080238
Energy: 0.7787965455871366
Energy: 0.8380945571057419
Energy: 0.8024057920806158
Energy: 0.8018405696988613
Energy: 0.8224703299611453
Energy: 0.8018405696988613
Energy: 0.8027740078761704
Energy: 0.8392669861927206
Energy: 0.8397829289780145
Energy: 0.8392669861927206
Energy: 0.8035532525903984
Energy: 0.8016144778501738
Energy: 0.8032362942693849
Energy: 0.8016144778501738
Energy: 0.8023243156587636
Energy: 0.8038501463813719
Energy: 0.8462037284590103
Energy: 0.8038501463813719
Energy: 0.8022795027659302
Energy: 0.8026967863149467
Energy: 0.8039967433990554
Energy: 0.8026967863149467
Energy: 0.8460913676913951
Energy: 0.8723793596351297
Energy: 0.8460130467086561
Energy: 0.8723793596351297
Energy: 0.8752749291802574
Energy: 0.8722968522528562
Energy: 0.8507213982259403
Energy: 0.8722968522520956
Energy: 0.8647267437565905
Energy: 0.9110986432648174
Energy: 0.8631982473105554
Energy: 0.9110986432640568
Energy: 0.8646993176707719
Energy: 0.9083575059868754
Energy: 0.8735204929506525
Energy: 0.9083575059868754
Energy: 0.863307248595641
Energy: 0.9100080766467306
Energy: 0.8614881199739399
Energy: 0.9100080766459698
Energy: 0.8751833255994239
Energy: 0.9092268525907383
Energy: 0.8674596941669541
Energy: 0.909226852591499
Energy: 0.8241583048100997
Energy: 0.8714971311487203
Energy: 0.8684650523341749
Energy: 0.8714971311479595
Energy: 0.8480590010613765
Energy: 0.8727008538037117
Energy: 0.8561553886492446
Energy: 0.8727008538037117
Energy: 0.8001742729856849
Energy: 0.800616958636855
Energy: 0.8228831101374775
Energy: 0.800616958636855
Energy: 0.8021029146773756
Energy: 0.8023970928202129
Energy: 0.8281067210618279
Energy: 0.8023970928194523
Energy: 0.7793072816846552
Energy: 0.8036886460956085
Energy: 0.840189713017786
Energy: 0.8036886460956085

minimum gb energy = 0.7787965455871366 eV
minimum distance =  2.2788206515661 Angstroms
sigma value = 1


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

Energy: 1.3845149779494
Energy: 0.8210188946434588
Energy: 0.8843691953546
Energy: 0.8839646261773502
Energy: 0.871117435006118
Energy: 0.9015946591514725
Energy: 0.8441364945369093
Energy: 0.901594659153207
Energy: 0.8838766502602737
Energy: 0.8846130955589744
Energy: 1.2750388967476982
Energy: 0.8846130955581071
Energy: 0.847185985224567
Energy: 0.8444414971185245
Energy: 0.8440463363271389
Energy: 0.8444414971185245
Energy: 0.8455041962447577
Energy: 0.8453041097238179
Energy: 0.8445101445172626
Energy: 0.8453041097238179
Energy: 0.8477077728092641
Energy: 0.9445627173825886
Energy: 0.8456270806615427
Energy: 0.9445627173817214
Energy: 0.8996705330464053
Energy: 0.9261710166518745
Energy: 0.8958836253446933
Energy: 0.9261710166518745
Energy: 0.8974879707548236
Energy: 0.9295432924387057
Energy: 0.8747210502440804
Energy: 0.9295432924387057
Energy: 0.8973121477591448
Energy: 0.9643977979739111
Energy: 0.9092018968648833
Energy: 0.9643977979739111
Energy: 0.9253352640702671
Energy: 0.9657926391733606
Energy: 0.8997871024051156
Energy: 0.9657926391733606
Energy: 0.8712683557415365
Energy: 0.9258947589570757
Energy: 0.9005284033579956
Energy: 0.9258947589562083
Energy: 0.898525517093887
Energy: 0.9277335642786396
Energy: 0.8476848332131469
Energy: 0.9277335642786396
Energy: 0.8443712757061773
Energy: 0.8442895982300096
Energy: 0.8719985225264133
Energy: 0.8442895982300096
Energy: 0.8432561389716474
Energy: 0.8441386074576697
Energy: 0.8163258311318107
Energy: 0.8441386074576697
Energy: 0.8156562279434526
Energy: 0.883569886812262
Energy: 0.8849574298920173
Energy: 0.883569886812262
Energy: 0.8725692118600773
Energy: 0.844478047521272
Energy: 0.8437833604430637
Energy: 0.844478047521272
Energy: 0.8840047289516886
Energy: 0.8842871231602585
Energy: 0.8463627802904076
Energy: 0.8842871231593911
Energy: 0.8469826480545722
Energy: 0.8442070958872597
Energy: 0.8467639037543899
Energy: 0.8442070958863923
Energy: 0.8445292798263998
Energy: 0.8474797357255242
Energy: 0.8466519148724324
Energy: 0.8474797357255242
Energy: 0.8476012514227581
Energy: 0.845306530817078
Energy: 0.8453969933250886
Energy: 0.8453065308179453
Energy: 0.8968284044923739
Energy: 0.9280689139754335
Energy: 0.896063005075226
Energy: 0.9280689139754335
Energy: 0.8960821155921995
Energy: 0.927546815699814
Energy: 0.8753255294196983
Energy: 0.927546815699814
Energy: 0.8969144181249904
Energy: 0.964758522311462
Energy: 0.9101959937702746
Energy: 0.964758522311462
Energy: 0.9250521610794474
Energy: 0.963519687689307
Energy: 0.9181997354733289
Energy: 0.963519687689307
Energy: 0.87249930870078
Energy: 0.9263838383156459
Energy: 0.9301691104271692
Energy: 0.9263838383156459
Energy: 0.898496799524635
Energy: 0.9265684437615102
Energy: 0.8488987346268125
Energy: 0.926568443760643
Energy: 0.8437034693589219
Energy: 0.8438494035246448
Energy: 0.8726369328019784
Energy: 0.8438494035246448
Energy: 0.8431806459456953
Energy: 0.8443181683167649
Energy: 0.8161212378311532
Energy: 0.8443181683158976
Energy: 0.8156831017823909
Energy: 0.8467328663085207
Energy: 0.8866055524153122
Energy: 0.8467328663085207

minimum gb energy = 0.8156562279434526 eV
minimum distance =  2.28011624464363 Angstroms
sigma value = 25


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

Energy: 1.3247249631808613
Energy: 0.8606581089418266
Energy: 0.9335612378923571
Energy: 0.9342707774906891
Energy: 0.9317256578375922
Energy: 0.9481359655387342
Energy: 0.8950280552958015
Energy: 0.9481359655397424
Energy: 0.9330515333970955
Energy: 0.9335534494033944
Energy: 0.8924651000716776
Energy: 0.9335534494023862
Energy: 0.8966286949531945
Energy: 0.8934009757963529
Energy: 0.8949065063824946
Energy: 0.8934009757963529
Energy: 0.8947175904248039
Energy: 0.8937467430114681
Energy: 0.8940488928022257
Energy: 0.8937467430124764
Energy: 0.8971686138575049
Energy: 0.8948053381601486
Energy: 0.8930959035334507
Energy: 0.8948053381601486
Energy: 0.9458954314405772
Energy: 0.9933644902934149
Energy: 0.9438558284040003
Energy: 0.9933644902934149
Energy: 0.9446882362729762
Energy: 0.9952740678514466
Energy: 0.8698566318070328
Energy: 0.9952740678514466
Energy: 0.9453622293439685
Energy: 0.9929491210021327
Energy: 0.9311505505171646
Energy: 0.9929491210021327
Energy: 0.8976900362736316
Energy: 0.9936928468447409
Energy: 0.8933461264621805
Energy: 0.9936928468447409
Energy: 0.8546950190175359
Energy: 0.8940451108663541
Energy: 0.8939452523316543
Energy: 0.8940451108653459
Energy: 0.855226272878298
Energy: 0.8932766305975735
Energy: 0.894102962654832
Energy: 0.8932766305975735
Energy: 0.9328129207779355
Energy: 0.9337864935777623
Energy: 0.8544321909277872
Energy: 0.9337864935777623
Energy: 0.8947158898198007
Energy: 0.8944048594030595
Energy: 0.9326240420591265
Energy: 0.8944048594040677
Energy: 0.8925002011942241
Energy: 0.9346958115202466
Energy: 0.9349730378656524
Energy: 0.9346958115202466
Energy: 0.8951410043061173
Energy: 0.8930318544801018
Energy: 0.8961559694917114
Energy: 0.89303185448111
Energy: 0.8968600346153254
Energy: 0.8971717035086374
Energy: 0.894600649994148
Energy: 0.8971717035096456
Energy: 0.8930570674514767
Energy: 0.8936973538909639
Energy: 0.8959980651454512
Energy: 0.8936973538909639
Energy: 0.9438548173122664
Energy: 0.9953957044120271
Energy: 0.9492435962971754
Energy: 0.9953957044120271
Energy: 0.8699793021040526
Energy: 0.9943757757809212
Energy: 0.9464561696703276
Energy: 0.9943757757809212
Energy: 0.9318909468175641
Energy: 0.9928048431989692
Energy: 0.9456056996597174
Energy: 0.992804843197961
Energy: 0.9322815873557628
Energy: 0.9928603946719388
Energy: 0.8975251487251407
Energy: 0.9928603946729471
Energy: 0.8931170454490618
Energy: 0.8929881289385039
Energy: 0.8547798875061753
Energy: 0.8929881289374957
Energy: 0.893415734391453
Energy: 0.8931685364700775
Energy: 0.8550279646054433
Energy: 0.8931685364700775
Energy: 0.8542613775720707
Energy: 0.8960438739266224
Energy: 0.934690172729667
Energy: 0.8960438739276305

minimum gb energy = 0.8542613775720707 eV
minimum distance =  2.28603111530852 Angstroms
sigma value = 9


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

Energy: 1.2352066536412094
Energy: 0.9027617841817993
Energy: 0.9879591227388806
Energy: 0.9876141253148285
Energy: 0.9983139728535241
Energy: 0.9957688185340873
Energy: 0.9532197871451902
Energy: 0.9957688185340873
Energy: 0.98738918936949
Energy: 0.9871634353626452
Energy: 0.986152330215379
Energy: 0.9871634353626452
Energy: 0.9483363841099699
Energy: 0.9959384845848466
Energy: 0.9531858707613297
Energy: 0.9959384845848466
Energy: 0.9505780774110315
Energy: 0.9517171184495241
Energy: 0.9523683185721267
Energy: 0.9517171184519296
Energy: 0.9496134251408647
Energy: 0.9543692637552045
Energy: 0.9541248364666132
Energy: 0.9543692637552045
Energy: 1.0037551212659488
Energy: 1.0698257104265547
Energy: 0.9534465054015887
Energy: 1.0698257104265547
Energy: 0.9546243673362921
Energy: 1.0702685673184704
Energy: 0.9536038981493385
Energy: 1.0702685673184704
Energy: 0.9502463424023827
Energy: 0.9522216181927815
Energy: 0.8929199393578926
Energy: 0.9522216181927815
Energy: 0.9533740060881941
Energy: 0.9517730027726534
Energy: 0.8931789291338829
Energy: 0.9517730027726534
Energy: 0.892500391005966
Energy: 0.9880041273300888
Energy: 0.9865770050077637
Energy: 0.9880041273300888
Energy: 0.9985527776072398
Energy: 0.9506405676986014
Energy: 0.9533529625033241
Energy: 0.9506405676986014
Energy: 0.9873391527252476
Energy: 0.9882309805423258
Energy: 0.9861463565142375
Energy: 0.988230980541123
Energy: 0.9881313867986621
Energy: 0.9514482997017479
Energy: 0.986677665863937
Energy: 0.9514482997017479
Energy: 0.9511022387741663
Energy: 0.9517190755815091
Energy: 0.9544012481403453
Energy: 0.9517190755815091
Energy: 0.9496713876158538
Energy: 0.952445361967487
Energy: 0.9539725062898765
Energy: 0.9524453619686898
Energy: 1.0005294786468288
Energy: 1.070544951726209
Energy: 0.9529833080555978
Energy: 1.070544951726209
Energy: 0.9990168111992918
Energy: 1.0702263657842348
Energy: 0.9539211977796535
Energy: 1.0702263657842348
Energy: 0.9495668658471004
Energy: 0.9519152653641276
Energy: 0.8928546883441864
Energy: 0.9519152653629249
Energy: 0.9539613720116416
Energy: 0.9524600616756996
Energy: 0.8930565523144212
Energy: 0.9524600616756996
Energy: 0.891948551703541
Energy: 0.9481414314363569
Energy: 0.9907776936740204
Energy: 0.9481414314363569

minimum gb energy = 0.891948551703541 eV
minimum distance =  2.30540998964801 Angstroms
sigma value = 25


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

Energy: 1.1079713998716727
Energy: 0.9445094476847034
Energy: 1.0491593065313651
Energy: 1.0484011964626923
Energy: 1.0441660549394332
Energy: 1.0098565065383251
Energy: 0.9612778182747435
Energy: 1.0098565065383251
Energy: 1.0477169286978356
Energy: 1.0480898889183214
Energy: 1.0466325124853078
Energy: 1.048089888916834
Energy: 1.048384016343816
Energy: 1.0104237464367911
Energy: 0.9617859674527646
Energy: 1.0104237464367911
Energy: 0.958886688975726
Energy: 1.028272807706838
Energy: 0.9620871595939581
Energy: 1.0282728077083252
Energy: 0.9370088331554272
Energy: 0.9631180246667969
Energy: 0.9597369449556674
Energy: 0.9631180246578724
Energy: 0.93276405714786
Energy: 0.9606024957715572
Energy: 0.9626574570709795
Energy: 0.9606024957730445
Energy: 0.9329913388544832
Energy: 1.0110837490832416
Energy: 0.9647680464746093
Energy: 1.0110837490906786
Energy: 1.046672339522646
Energy: 1.047753543579709
Energy: 1.158224971349901
Energy: 1.0477535435782215
Energy: 1.0694636950255245
Energy: 0.9389808820461959
Energy: 1.0437167903279159
Energy: 0.9389808820461959
Energy: 1.0472332562797235
Energy: 1.0482032892542397
Energy: 1.0514825491143134
Energy: 1.0482032892542397
Energy: 1.045969032500755
Energy: 1.012230788727106
Energy: 1.0482495137231906
Energy: 1.012230788727106
Energy: 0.9607271028167553
Energy: 1.0763634589732338
Energy: 0.9587379342943225
Energy: 1.0763634589732338
Energy: 0.9618375645142673
Energy: 1.0271388351473698
Energy: 0.9390353180480338
Energy: 1.0271388351429074
Energy: 1.0209994266618916
Energy: 1.0269591474299178
Energy: 0.9327771426754744
Energy: 1.0269591474299178
Energy: 0.9607190959554949
Energy: 1.0732421397847902
Energy: 0.932790623655606
Energy: 1.0732421397847902
Energy: 1.1519353794139648
Energy: 0.9381055693203677
Energy: 1.0519511544171487
Energy: 0.9381055693203677

minimum gb energy = 0.93276405714786 eV
minimum distance =  2.34112180406472 Angstroms
sigma value = 17


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

Energy: 1.5111071392574464
Energy: 1.0807923643237987
Energy: 1.1449328660283575
Energy: 1.1456959502584463
Energy: 0.9607079820011059
Energy: 1.0344261150364507
Energy: 1.0894278659148244
Energy: 1.034426115034766
Energy: 1.0189294628026673
Energy: 1.0188737053437507
Energy: 1.1572873872150904
Energy: 1.018873705344593
Energy: 1.019005293276244
Energy: 1.1217245681026549
Energy: 1.030570123345209
Energy: 1.1217245681034973
Energy: 1.0187643604211598
Energy: 1.1066933968724058
Energy: 0.9616727981366283
Energy: 1.1066933968724058
Energy: 1.0189665777596153
Energy: 1.0721557796882626
Energy: 1.0186644262432587
Energy: 1.0721557796874202
Energy: 1.070765054359072
Energy: 1.0175024660236223
Energy: 1.0194133155553997
Energy: 1.0175024660236223
Energy: 1.2118287659810916
Energy: 1.0179592901045538
Energy: 0.9824324926612815
Energy: 1.0179592901045538
Energy: 1.150221176197855
Energy: 1.1447379127131032
Energy: 1.1510207519609534
Energy: 1.1447379127139456
Energy: 1.150838045756418
Energy: 1.0935440328261967
Energy: 1.1066737913251476
Energy: 1.0935440328261967
Energy: 1.0162152254694272
Energy: 0.9823768710519699
Energy: 0.979601906791423
Energy: 0.9823768710519699
Energy: 1.0879034190762005
Energy: 1.0122390778479444
Energy: 0.9826753491052767
Energy: 1.0122390778487869
Energy: 1.070857120570209
Energy: 1.0123214778536842
Energy: 1.0107969696226904
Energy: 1.0123214778536842
Energy: 1.0708112585253657
Energy: 1.0125209088267813
Energy: 0.9802504855093017
Energy: 1.0125209087333127
Energy: 1.149852596169451
Energy: 1.0751178443215554
Energy: 1.2228216118400232
Energy: 1.0751178443223977
Energy: 1.1490786952269594
Energy: 1.145270235077976
Energy: 1.226730119006316
Energy: 1.1452702350805035
Energy: 1.146465015892905
Energy: 1.0182298363250468
Energy: 1.018992277040424
Energy: 1.0182298363250468
Energy: 1.143894626467365
Energy: 1.01820745529482
Energy: 1.0159995643954027
Energy: 1.01820745529482
Energy: 1.0193813548484147
Energy: 1.1067330462285223
Energy: 1.0183108805312293
Energy: 1.1067330462293645
Energy: 1.0580295603858527
Energy: 1.0742477302582532
Energy: 1.0188673051545953
Energy: 1.0742477301546758
Energy: 1.0182749711213268
Energy: 1.0312976982267805
Energy: 1.1757082594444466
Energy: 1.031297698225938
Energy: 1.0190892752227223
Energy: 1.0193282272065702
Energy: 1.0725454799622647
Energy: 1.0193282272082549
Energy: 1.0892655236593574
Energy: 1.0923159778461158
Energy: 1.0973463561541383
Energy: 1.0923159778461158
Energy: 1.1535896441201885
Energy: 1.144766909768896
Energy: 1.145145758662974
Energy: 1.144766909768896
Energy: 0.9864534733279148
Energy: 1.013641099376497
Energy: 1.1448132589123066
Energy: 1.013641099376497
Energy: 0.9832324582846871
Energy: 1.0125633243934988
Energy: 1.0161968708546274
Energy: 1.0125633243934988
Energy: 0.9792936954634343
Energy: 0.9821576027867696
Energy: 1.0729978469253953
Energy: 0.9821576027867696
Energy: 0.9876408036228607
Energy: 1.010262568506602
Energy: 1.0706757003618128
Energy: 1.0102625685082867
Energy: 0.9811948678409893
Energy: 1.0111603626100245
Energy: 1.0712278194413907
Energy: 1.0111603626117092
Energy: 1.241575851766972
Energy: 1.1445618248395608
Energy: 1.1456509621881883
Energy: 1.1445618248395608

minimum gb energy = 0.9607079820011059 eV
minimum distance =  2.29724371261063 Angstroms
sigma value = 53


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

Energy: 1.3790570744754083
Energy: 0.9377491885171478
Energy: 1.0829665921304474
Energy: 1.0812351158773037
Energy: 1.219944795517037
Energy: 0.9886087168280611
Energy: 1.0761491927686848
Energy: 0.9886087168280611
Energy: 1.080752510667453
Energy: 1.0794783364677694
Energy: 1.078708210621294
Energy: 1.0794783364658298
Energy: 1.0784090493760548
Energy: 0.9898113934128931
Energy: 1.079059252659262
Energy: 0.9898113934128931
Energy: 1.0828339536436717
Energy: 0.9890797341910498
Energy: 0.9243033972883549
Energy: 0.9890797341910498
Energy: 1.078312767171933
Energy: 0.9927289611530701
Energy: 0.9407628351054415
Energy: 0.9927289611530701
Energy: 1.2175690834043589
Energy: 1.076698853872747
Energy: 1.0761096345983716
Energy: 1.076698853872747
Energy: 1.2191983984251202
Energy: 0.9913432426012805
Energy: 1.0770751765009228
Energy: 0.9913432426012805
Energy: 1.0791610135553584
Energy: 1.0780707862242331
Energy: 1.0948246057597069
Energy: 1.0780707862242331
Energy: 1.0777836913842154
Energy: 0.9914497917339259
Energy: 1.077767683797255
Energy: 0.9914497917339259
Energy: 1.08010292873813
Energy: 0.9940819207300574
Energy: 0.9439962572464167
Energy: 0.9940819207319969
Energy: 1.0781036827857113
Energy: 0.9889598625831997
Energy: 0.9243823439504408
Energy: 0.9889598625831997
Energy: 1.2185511372905053
Energy: 1.081476060041698
Energy: 1.076842659298809
Energy: 1.081476060041698

minimum gb energy = 0.9243033972883549 eV
minimum distance =  2.32538027418672 Angstroms
sigma value = 9


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

Energy: 1.3415628807130957
Energy: 1.1157667985406212
Energy: 1.2022680821791927
Energy: 1.1985498274183808
Energy: 1.0562289783276058
Energy: 1.0032361088338007
Energy: 1.19942804686725
Energy: 1.0032361088330828
Energy: 1.0128089312108561
Energy: 1.0071627829645096
Energy: 1.1822486206880738
Energy: 1.0071627829652274
Energy: 1.0096296453857818
Energy: 1.005927818413467
Energy: 1.1998392503577833
Energy: 1.005927818413467
Energy: 1.0043435681737758
Energy: 1.0028708648874756
Energy: 1.2617530692020342
Energy: 1.0028708648846043
Energy: 1.0029859908051435
Energy: 1.0032285058136163
Energy: 1.2606492208255327
Energy: 1.0032285058128985
Energy: 1.197513419110281
Energy: 1.1832784129737488
Energy: 1.1962394278010067
Energy: 1.1832784129737488
Energy: 1.1950497452953601
Energy: 1.184597569955756
Energy: 1.1835567937531586
Energy: 1.184597569955756
Energy: 1.0523150133515917
Energy: 1.125940258124822
Energy: 1.0782354597637558
Energy: 1.1259402582410383
Energy: 1.0047016492965573
Energy: 1.0856129014327076
Energy: 1.1859210460178957
Energy: 1.0856129014334257
Energy: 1.0511995328824417
Energy: 1.0518758696474193
Energy: 1.102066037808453
Energy: 1.0518758696481372
Energy: 1.063175548879887
Energy: 1.11849887521969
Energy: 1.260733676633046
Energy: 1.118498875220408
Energy: 1.1954076907142006
Energy: 1.0518886014523798
Energy: 1.068522301181926
Energy: 1.0518886014523798
Energy: 1.195656841324079
Energy: 1.0518646100693285
Energy: 1.0543776433172865
Energy: 1.0518646100693285
Energy: 1.1832778084905775
Energy: 1.0716429332634114
Energy: 1.0621328190736141
Energy: 1.0716429332619761
Energy: 1.1032418848241958
Energy: 1.129638145247777
Energy: 1.0626529098648265
Energy: 1.129638145247777
Energy: 1.187636341246194
Energy: 1.1067778293987094
Energy: 1.0542851102887731
Energy: 1.1067778293994273
Energy: 1.198678494498309
Energy: 1.185455891595993
Energy: 1.3381932849577116
Energy: 1.185455891595993
Energy: 1.1990880152398942
Energy: 1.0031859077464502
Energy: 1.0063934984545564
Energy: 1.0031859077471679
Energy: 1.2511444234071054
Energy: 1.008774683319796
Energy: 1.0140289171967236
Energy: 1.0087746833205136
Energy: 1.199847215251706
Energy: 1.004882843411627
Energy: 1.006913507629001
Energy: 1.004882843411627
Energy: 1.2609221105532766
Energy: 1.002713853367922
Energy: 1.0033655487130932
Energy: 1.0027138533686397
Energy: 1.261290401761567
Energy: 1.003696003905829
Energy: 1.002912031523138
Energy: 1.003696003905829
Energy: 1.1979806273915
Energy: 1.1831460521214634
Energy: 1.1962308792964127
Energy: 1.1831460521214634
Energy: 1.1828427543013402
Energy: 1.1827827037685361
Energy: 1.1953792011002666
Energy: 1.1827827037685361
Energy: 1.06516240214998
Energy: 1.1038776143140319
Energy: 1.052463682036512
Energy: 1.1038776143125963
Energy: 1.1867090688543318
Energy: 1.0870795980449226
Energy: 1.004262857409322
Energy: 1.0870795980456405
Energy: 1.1026287647142425
Energy: 1.0519597573360244
Energy: 1.051788283474895
Energy: 1.0519597573360244
Energy: 1.26124797814279
Energy: 1.06124544295427
Energy: 1.0626051852658258
Energy: 1.06124544295427
Energy: 1.0702186090375094
Energy: 1.0515870344156606
Energy: 1.1970969686635313
Energy: 1.0515870344156606
Energy: 1.0563712608548113
Energy: 1.052543280457277
Energy: 1.1816626774292227
Energy: 1.052543280457277
Energy: 1.0584268408078943
Energy: 1.0582323147092043
Energy: 1.1832279790725566
Energy: 1.058232314709922
Energy: 1.0635658220247353
Energy: 1.1366625031593265
Energy: 1.1042412953055727
Energy: 1.1366625031593265
Energy: 1.0534741196494501
Energy: 1.1065981910163647
Energy: 1.1072405019213785
Energy: 1.1065981910170826
Energy: 1.2610237149120036
Energy: 1.1842182484805404
Energy: 1.1885153261906714
Energy: 1.1842182484805404

minimum gb energy = 1.002713853367922 eV
minimum distance =  2.29680395218683 Angstroms
sigma value = 73


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

Energy: 1.4309424328061784
Energy: 1.068933597069765
Energy: 1.16050586724338
Energy: 1.1605930716556139
Energy: 1.066728086993055
Energy: 1.0208377011113623
Energy: 1.1377989108190798
Energy: 1.0208377011102234
Energy: 1.0267902078648856
Energy: 1.0241775398250532
Energy: 1.1707314912926294
Energy: 1.0241775398250532
Energy: 1.023269453869947
Energy: 1.023111912638506
Energy: 1.2472928096265405
Energy: 1.023111912638506
Energy: 1.0243304246894194
Energy: 1.0246772221705933
Energy: 1.1900325571370427
Energy: 1.0246772221717322
Energy: 1.0839027389055924
Energy: 1.0244457921105363
Energy: 1.1906439531747979
Energy: 1.0244457921105363
Energy: 1.133929065685615
Energy: 1.1671956218566455
Energy: 1.1841384466926947
Energy: 1.1671956218566455
Energy: 1.0785854007552012
Energy: 1.167733804060115
Energy: 1.1662199928984975
Energy: 1.167733804060115
Energy: 1.0600313778066692
Energy: 1.1420808572835128
Energy: 1.168568577606606
Energy: 1.1420808572835128
Energy: 1.07701303603897
Energy: 1.0531436112484263
Energy: 1.1667762535975292
Energy: 1.053143611116374
Energy: 1.0616582708634499
Energy: 0.9995555032545653
Energy: 1.012020940857095
Energy: 0.9995555032545653
Energy: 1.0585699864661375
Energy: 1.0030623232860931
Energy: 1.2298534069404086
Energy: 1.0030623232860931
Energy: 1.1751205270030816
Energy: 1.0740003334539172
Energy: 1.0571222664605735
Energy: 1.0740003334539172
Energy: 1.1697098030085729
Energy: 1.0608121729284983
Energy: 1.0576940415642213
Energy: 1.0608121729284983
Energy: 1.1830292825686903
Energy: 1.0593308036347426
Energy: 1.0566982254732562
Energy: 1.0593308036358813
Energy: 1.2434104425325212
Energy: 1.056950282424626
Energy: 1.0570721307642148
Energy: 1.056950282424626
Energy: 1.1897421125039447
Energy: 1.057197205716462
Energy: 1.058137893053883
Energy: 1.057197205716462
Energy: 1.1404809011695358
Energy: 1.13999261834408
Energy: 1.0763265402091873
Energy: 1.13999261834408
Energy: 1.1343955630338167
Energy: 1.0953460565533317
Energy: 1.0791115454648141
Energy: 1.0953460565533317
Energy: 1.1342112154094444
Energy: 1.0953280121346343
Energy: 1.132219615244055
Energy: 1.0953280121346343
Energy: 1.1343151189655634
Energy: 1.0972722935266337
Energy: 1.0686037523886232
Energy: 1.0972722935266337
Energy: 1.189244090398339
Energy: 1.1302070597762757
Energy: 1.1306475239264897
Energy: 1.1302070597762757

minimum gb energy = 0.9995555032545653 eV
minimum distance =  2.28418741589721 Angstroms
sigma value = 7


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

Energy: 1.6630938092832421
Energy: 1.0357608503534448
Energy: 1.1641589189193575
Energy: 1.1644843050373512
Energy: 1.1149239149586323
Energy: 1.0900966887792465
Energy: 1.1327265993400424
Energy: 1.0900966887800518
Energy: 1.0244986082548924
Energy: 1.0263770429989338
Energy: 1.127130971327605
Energy: 1.0263770429989338
Energy: 1.024502647721222
Energy: 1.025431452652781
Energy: 1.229203719008823
Energy: 1.025431452652781
Energy: 1.0249406215911965
Energy: 1.024650026094095
Energy: 1.2063620410129092
Energy: 1.024650026094095
Energy: 1.0268245495623618
Energy: 1.0251687422691342
Energy: 1.2050070629420266
Energy: 1.0251687422691342
Energy: 1.1334133553732146
Energy: 1.0249805602708684
Energy: 1.025204297518237
Energy: 1.024980560270063
Energy: 1.1273120168049926
Energy: 1.0253605387297324
Energy: 1.0247192344944702
Energy: 1.0253605387297324
Energy: 1.229270206680517
Energy: 1.0259629907167729
Energy: 1.025190715733999
Energy: 1.0259629907175782
Energy: 1.2242330945406983
Energy: 1.0263355124258673
Energy: 1.023308724683759
Energy: 1.0263355124258673
Energy: 1.1308952157424976
Energy: 1.1241371596948297
Energy: 1.026104083434013
Energy: 1.1241371596940244
Energy: 1.1297390729611414
Energy: 1.128126727797132
Energy: 1.125664958710604
Energy: 1.128126727797132
Energy: 1.1223678074467458
Energy: 1.0891987634790643
Energy: 1.1270855721801332
Energy: 1.0891987634790643
Energy: 1.1236778660642415
Energy: 1.0862443365524679
Energy: 1.0347178397053187
Energy: 1.0862443365516625
Energy: 1.1264993058320636
Energy: 1.087988140394821
Energy: 1.0351748529723044
Energy: 1.087988140394821
Energy: 1.0343935278025094
Energy: 1.122930465179531
Energy: 1.1301386230464956
Energy: 1.122930465179531
Energy: 1.0344526491978694
Energy: 1.1235237817598331
Energy: 1.1328026072926567
Energy: 1.1235237817598331
Energy: 1.0246389930302473
Energy: 1.0259831068943523
Energy: 1.1299070990752937
Energy: 1.0259831068943523
Energy: 1.0256592442791697
Energy: 1.0264649321705273
Energy: 1.1307947140584795
Energy: 1.0264649321713326
Energy: 1.0242475167373781
Energy: 1.0250619701279724
Energy: 1.0369375180796336
Energy: 1.0250619701279724
Energy: 1.0252301198508003
Energy: 1.0250207279066519
Energy: 1.2105959325495412
Energy: 1.0250207279066519
Energy: 1.1253194037630554
Energy: 1.0250914317464712
Energy: 1.0265621795490518
Energy: 1.0250914317464712
Energy: 1.1253248918081662
Energy: 1.0249396538342144
Energy: 1.0249205852009908
Energy: 1.0249396538342144
Energy: 1.2294854388522412
Energy: 1.02522757606535
Energy: 1.024303446673516
Energy: 1.02522757606535
Energy: 1.2142179891829477
Energy: 1.0262381624108259
Energy: 1.024536015665564
Energy: 1.0262381624108259
Energy: 1.2067814538929096
Energy: 1.029170051493128
Energy: 1.0272740342907
Energy: 1.029170051493128
Energy: 1.1643137067587874
Energy: 1.1354447752934926
Energy: 1.4438731128926492
Energy: 1.1354447752926875
Energy: 1.1219172852403816
Energy: 1.0902974176264506
Energy: 1.1307962528820714
Energy: 1.0902974176256452
Energy: 1.1252801154279208
Energy: 1.087064413991739
Energy: 1.1238340666612565
Energy: 1.0870644139925443
Energy: 1.1244218087781535
Energy: 1.0904745912935847
Energy: 1.0340205553425317
Energy: 1.09047459129439
Energy: 1.0348666549123773
Energy: 1.1244877869070298
Energy: 1.126031881918346
Energy: 1.1244877869062244

minimum gb energy = 1.023308724683759 eV
minimum distance =  2.2864445864294 Angstroms
sigma value = 29


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

Energy: 0.9676042412447722
Energy: 0.969583617689731
Energy: 0.9891542589961421
Energy: 1.1474383306001996
Energy: 0.9812014173400565
Energy: 1.0547502532738118
Energy: 0.9896133154924476
Energy: 1.0547502532738118
Energy: 0.9802142238420609
Energy: 1.039103709235509
Energy: 0.9676792216543
Energy: 1.039103709235509
Energy: 0.9716917495467502
Energy: 0.9803668977646072
Energy: 0.9800793216045269
Energy: 0.9803668977607737
Energy: 0.979031285369588
Energy: 0.9827294467601645
Energy: 0.97053568441881
Energy: 0.9827294467579516
Energy: 0.9792728290684
Energy: 1.044657815660955
Energy: 0.9717168598187527
Energy: 1.044657815660955
Energy: 0.9678449655166537
Energy: 1.0384944125503464
Energy: 0.9800791456562327
Energy: 1.0384944125503464
Energy: 0.9870644702552649
Energy: 0.9882520746397733
Energy: 0.9760241827339912
Energy: 0.9882520746411446
Energy: 0.9716280615912335
Energy: 0.983402639394188
Energy: 0.989796377342851
Energy: 0.983402639394188

minimum gb energy = 0.9676042412447722 eV
minimum distance =  2.30627183920471 Angstroms
sigma value = 5


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

Energy: 1.3187242110264181
Energy: 0.9262469297073296
Energy: 1.10049996140952
Energy: 0.9542623373556434
Energy: 0.9739437622688578
Energy: 0.9539927726143016
Energy: 1.1199425415761475
Energy: 0.9539927726143016
Energy: 1.0970416674870145
Energy: 1.02743445227292
Energy: 1.122305383486145
Energy: 1.0274344522721595
Energy: 0.9742141046418454
Energy: 0.9520168631230554
Energy: 1.0902485390377439
Energy: 0.9520168631222947
Energy: 1.0898001285311796
Energy: 0.9506233056953953
Energy: 1.1219613216142321
Energy: 0.9506233056946346
Energy: 0.9511718635101795
Energy: 0.9528550610395885
Energy: 1.1181085443300833
Energy: 0.9528550610380673
Energy: 0.9503512722722056
Energy: 0.9499898743210213
Energy: 1.089943348590611
Energy: 0.9499898743210213
Energy: 0.957888974759655
Energy: 0.9538755031713901
Energy: 1.2032379186048063
Energy: 0.9538755031713901
Energy: 0.9783443093594884
Energy: 0.9805538121555486
Energy: 1.2553123898545084
Energy: 0.9805538121563093
Energy: 1.144168448090467
Energy: 0.9296905175587894
Energy: 0.93687589465083
Energy: 0.9296905175580288
Energy: 0.9785104011497253
Energy: 0.927265125360411
Energy: 0.9285855320750392
Energy: 0.927265125360411
Energy: 1.2647780922710667
Energy: 0.926514302191387
Energy: 0.926329090271269
Energy: 0.9265143021921477
Energy: 1.2503585501580086
Energy: 0.9266930364990306
Energy: 0.9262276468839585
Energy: 0.9266930364982698
Energy: 0.9769576613403073
Energy: 0.9757445575270344
Energy: 1.1193519153183027
Energy: 0.9757445575270344
Energy: 0.9527358573613467
Energy: 0.9506256564042809
Energy: 1.1180215333387273
Energy: 0.95062565640352
Energy: 0.9533425023998326
Energy: 0.9525374279435166
Energy: 1.0899637369011472
Energy: 0.9525374279435166
Energy: 0.9524825858882454
Energy: 0.9507003944380833
Energy: 0.9737923300954838
Energy: 0.9507003944380833
Energy: 1.1094543111721293
Energy: 0.9535830846059935
Energy: 0.9740135566874324
Energy: 0.9535830846059935
Energy: 1.123400741419396
Energy: 1.0288567825786759
Energy: 1.0995280381183228
Energy: 1.0288567825786759
Energy: 1.0914191576675412
Energy: 1.0292771281292152
Energy: 0.9724396756104082
Energy: 1.0292771281284543
Energy: 1.1186583204213172
Energy: 0.9601878106504366
Energy: 1.0903964179381833
Energy: 0.9601878106504366
Energy: 1.123052237821009
Energy: 0.9505755471726697
Energy: 0.9508420574938251
Energy: 0.9505755471726697
Energy: 1.089288746347832
Energy: 0.9502676362781423
Energy: 0.9511998111684479
Energy: 0.9502676362781423
Energy: 1.2045159355473374
Energy: 0.9525952336959337
Energy: 0.9547167014615607
Energy: 0.9525952336959337
Energy: 1.256628232670341
Energy: 0.9767470582547589
Energy: 0.9785273655479222
Energy: 0.9767470582555197
Energy: 0.9279804143671794
Energy: 0.9290045276254513
Energy: 1.1442929014172514
Energy: 0.929004527626212
Energy: 0.928465097698676
Energy: 0.9287526021690807
Energy: 0.9783765457210727
Energy: 0.9287526021698416
Energy: 0.9275753673782212
Energy: 0.9289157768824935
Energy: 1.0099200343967163
Energy: 0.9289157768824935
Energy: 0.925794904929926
Energy: 0.9278214708129691
Energy: 1.250779856315445
Energy: 0.9278214708122083
Energy: 1.1182796747751271
Energy: 0.9752343821975472
Energy: 0.9763956747800779
Energy: 0.9752343821975472
Energy: 1.118321793247006
Energy: 0.9513436727988049
Energy: 0.9552619887529115
Energy: 0.9513436727988049
Energy: 1.0896829085248638
Energy: 0.9512857954793397
Energy: 0.953324137536925
Energy: 0.9512857954793397
Energy: 0.9744732348047277
Energy: 0.9504367107724935
Energy: 0.9518452790640897
Energy: 0.9504367107732543

minimum gb energy = 0.925794904929926 eV
minimum distance =  2.28555467025654 Angstroms
sigma value = 1


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

Energy: 1.5494379589574128
Energy: 0.8904175088438497
Energy: 0.9152502385613712
Energy: 0.9144767297875234
Energy: 0.9205148773770531
Energy: 0.9150583313396198
Energy: 1.1162229525892924
Energy: 0.9150583313396198
Energy: 1.0554977550322797
Energy: 1.0121235870385654
Energy: 1.1200562261694427
Energy: 1.0121235870385654
Energy: 1.0405321562163965
Energy: 1.011872217438063
Energy: 1.107653487661699
Energy: 1.011872217438063
Energy: 0.9222948920568405
Energy: 0.9210713280638821
Energy: 1.0358880428146824
Energy: 0.9210713280638821
Energy: 0.9215157353238468
Energy: 0.9228428565601451
Energy: 1.0365424086458956
Energy: 0.9228428565611969
Energy: 0.9205020908580256
Energy: 0.9204215285984096
Energy: 1.1077497707091377
Energy: 0.9204215285984096
Energy: 0.9221477247808544
Energy: 0.9252056255248664
Energy: 1.1823735032735143
Energy: 0.9252056255238147
Energy: 0.9626641379459959
Energy: 0.9700337521189566
Energy: 1.1829013276723725
Energy: 0.9700337521179049
Energy: 1.2066060411059214
Energy: 0.8767966739467723
Energy: 0.9785692746758382
Energy: 0.8767966739467723
Energy: 0.9317093544218982
Energy: 0.8774144411590176
Energy: 0.9789613275239613
Energy: 0.8774144411590176
Energy: 1.2608191177838413
Energy: 0.8731562689102155
Energy: 0.9714809122606027
Energy: 0.8731562689102155
Energy: 1.2554334988819882
Energy: 0.8743226704334371
Energy: 0.9740604206565888
Energy: 0.8743226704323854
Energy: 0.9278757865395425
Energy: 0.9721117816898543
Energy: 1.1660665978009097
Energy: 0.9721117816898543
Energy: 1.0404717860036947
Energy: 0.9704804924963105
Energy: 1.1650790657353716
Energy: 0.9704804924963105
Energy: 1.042468985519114
Energy: 1.0717187209864794
Energy: 1.108701799134197
Energy: 1.0717187209864794
Energy: 0.9228343995078319
Energy: 0.9224016487810127
Energy: 1.0379193527832282
Energy: 0.9224016487810127
Energy: 0.943578581031285
Energy: 0.9247921880289186
Energy: 1.037424331562177
Energy: 0.9247921880299703
Energy: 0.9252471314431269
Energy: 0.921903340227476
Energy: 1.1850042132562597
Energy: 0.921903340227476
Energy: 0.9241242081283164
Energy: 0.925147362290289
Energy: 1.19735404351833
Energy: 0.9251473622892372
Energy: 1.208683385122805
Energy: 0.9125931931477578
Energy: 1.1058763142729473
Energy: 0.9125931931477578
Energy: 1.2094552411157153
Energy: 0.9145381977993301
Energy: 0.9171746618654583
Energy: 0.9145381977993301
Energy: 1.039148472352895
Energy: 0.9124305107165873
Energy: 0.9142678559004557
Energy: 0.9124305107165873
Energy: 1.1970712675185256
Energy: 0.9134224719809327
Energy: 0.9147462475556801
Energy: 0.9134224719809327

minimum gb energy = 0.8731562689102155 eV
minimum distance =  2.27969476154865 Angstroms
sigma value = 17


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

Energy: 1.5030027476098515
Energy: 0.8750228602327803
Energy: 1.0640331485655519
Energy: 0.8942481240059172
Energy: 0.9171219908204439
Energy: 0.8941611245459303
Energy: 1.0211105117209485
Energy: 0.8941611245452802
Energy: 1.1234488781021177
Energy: 0.8951052788903903
Energy: 1.0442839798433958
Energy: 0.8951052788897401
Energy: 1.1798937647938221
Energy: 0.9384155655394544
Energy: 1.0135412769969596
Energy: 0.9384155655388042
Energy: 0.9976647986256139
Energy: 0.8732462607989504
Energy: 1.1806450600672134
Energy: 0.8732462607983003
Energy: 0.873874828433623
Energy: 0.8726245545844895
Energy: 1.1599922886690333
Energy: 0.8726245545844895
Energy: 0.8736656570992362
Energy: 0.8724679384827809
Energy: 0.9092357108385531
Energy: 0.8724679384814807
Energy: 0.8818349112777049
Energy: 0.8756692295331103
Energy: 1.1644245793020747
Energy: 0.8756692295331103
Energy: 1.1499042897579221
Energy: 0.8754499216679861
Energy: 1.1220231035803292
Energy: 0.8754499216692861
Energy: 1.0493943347712495
Energy: 0.9420687111342233
Energy: 1.0331249139800889
Energy: 0.942068711132273
Energy: 1.1467192195022518
Energy: 0.8902229461472323
Energy: 0.9046512690518826
Energy: 0.8902229461465823
Energy: 1.155661024449874
Energy: 0.8961820583486424
Energy: 1.0145975787483208
Energy: 0.8961820583486424
Energy: 1.1420653200863873
Energy: 0.890087307687553
Energy: 0.8913009323855616
Energy: 0.890087307687553
Energy: 0.8910574759674132
Energy: 0.8899449835765553
Energy: 0.8918973565647125
Energy: 0.8899449835765553
Energy: 1.1740345405436736
Energy: 0.8923990775098002
Energy: 0.8987354838876637
Energy: 0.8923990775085
Energy: 1.1626787574727144
Energy: 0.8911737092363631
Energy: 0.8949601593137183
Energy: 0.8911737092370131
Energy: 0.8905708595091802
Energy: 0.9976348760766268
Energy: 1.0305572694621745
Energy: 0.9976348760766268
Energy: 0.8899715168535157
Energy: 0.8903636711923109
Energy: 1.1515864233805444
Energy: 0.890363671193611
Energy: 0.9069046572425526
Energy: 0.895354800919119
Energy: 1.01585363162954
Energy: 0.895354800919119
Energy: 0.8917822240561609
Energy: 0.8903026608875544
Energy: 1.162938568263255
Energy: 0.890302660892105
Energy: 1.0303353548693637
Energy: 0.8924275676887972
Energy: 0.8913310609873749
Energy: 0.8924275676894472
Energy: 1.0444768056242946
Energy: 0.8934447222776508
Energy: 1.1728656864229492
Energy: 0.893444722279542
Energy: 1.0139860672951513
Energy: 0.9364681451958673
Energy: 1.1752622115693776
Energy: 0.9364681451958673
Energy: 1.1842347485390503
Energy: 0.8746275788029403
Energy: 0.9970113142740409
Energy: 0.8746275788022903
Energy: 1.1565838466593406
Energy: 0.8727047725660486
Energy: 0.8727807916852086
Energy: 0.8727047725660486
Energy: 1.0143237922786474
Energy: 0.8736683105925948
Energy: 0.8769424395715872
Energy: 0.8736683105938949
Energy: 0.8792610806514384
Energy: 0.8754561463764898
Energy: 0.8797360168152807
Energy: 0.8754561463758397
Energy: 1.0162171053554256
Energy: 0.8759736926062637
Energy: 1.1530630780923457
Energy: 0.8759736926049635
Energy: 1.0215389929517042
Energy: 0.9395217716468011
Energy: 1.0441823198389886
Energy: 0.9395217716481012
Energy: 0.9059127704870793
Energy: 0.8901636404178839
Energy: 1.145521389278023
Energy: 0.8901636404328356
Energy: 1.0136785988990873
Energy: 0.890289544826419
Energy: 1.1602203222191498
Energy: 0.890289544826419
Energy: 0.890359466210352
Energy: 0.8902091041302832
Energy: 1.1623790831087708
Energy: 0.8902091041289829
Energy: 0.889764364450338
Energy: 0.8892428094191716
Energy: 1.0388582182833388
Energy: 0.8892428094198217
Energy: 0.8978418704912836
Energy: 0.8941681824333317
Energy: 1.178095698766416
Energy: 0.8941681824326817
Energy: 1.0433442871728293
Energy: 0.9169010475809958
Energy: 1.1628404780997954
Energy: 0.916901047580346
Energy: 1.3481432532628117
Energy: 0.8950694155702021
Energy: 0.8925316779018702
Energy: 0.8950694155689021
Energy: 1.1468957483121138
Energy: 0.8898222064446316
Energy: 0.891179233765432
Energy: 0.8898222064459318
Energy: 1.1230366985564986
Energy: 0.8960123228154011
Energy: 0.8921757040337911
Energy: 0.8960123228154011

minimum gb energy = 0.8724679384814807 eV
minimum distance =  2.28908481554416 Angstroms
sigma value = 89


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

Energy: 1.5922707029083585
Energy: 0.8376059179202432
Energy: 0.8149940119001537
Energy: 0.8142109975242733
Energy: 0.8128598124529478
Energy: 0.8893171579044731
Energy: 0.8136290858810342
Energy: 0.8893171579044731
Energy: 0.8059021904975282
Energy: 0.8913314166214836
Energy: 0.8314737511461051
Energy: 0.8913314166214836
Energy: 0.8069034311299047
Energy: 0.8912661295583585
Energy: 0.8123315696852182
Energy: 0.8912661295583585
Energy: 0.811342818549689
Energy: 0.8119648523347701
Energy: 0.825190664914103
Energy: 0.8119648523347701
Energy: 0.8128999454002872
Energy: 0.8106831811850327
Energy: 0.8236529593480899
Energy: 0.8106831811850327
Energy: 0.811355235389666
Energy: 0.8096596354184543
Energy: 0.8141391790438839
Energy: 0.8096596354184543
Energy: 0.8135980943188147
Energy: 0.8153471592526365
Energy: 0.8050496042658482
Energy: 0.8153471592543375
Energy: 0.8155527801896328
Energy: 0.8112820452806427
Energy: 0.8054662106260012
Energy: 0.8112820452806427
Energy: 0.8284289785777716
Energy: 0.8922714021896463
Energy: 0.8152820511004212
Energy: 0.8922714021896463
Energy: 0.8132268648387625
Energy: 0.8936692209101277
Energy: 0.8043718110251425
Energy: 0.8936692209101277
Energy: 0.8231679686421589
Energy: 0.8175266230309215
Energy: 0.8144459129952882
Energy: 0.8175266230309215
Energy: 0.825989228111404
Energy: 0.8130809975988162
Energy: 0.8114973014716984
Energy: 0.8130809975988162
Energy: 0.8135127464626966
Energy: 0.8092799267411389
Energy: 0.8097045978455131
Energy: 0.8092799267411389
Energy: 0.8051180490426075
Energy: 0.8121754336657827
Energy: 0.8153620257196033
Energy: 0.8121754336657827

minimum gb energy = 0.8043718110251425 eV
minimum distance =  2.30612762803438 Angstroms
sigma value = 13


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

Energy: 1.4035213644689402
Energy: 0.7621098447282888
Energy: 0.9797692592096999
Energy: 0.7669633226481217
Energy: 0.7691030073730026
Energy: 0.7669709035061177
Energy: 0.9136029814986205
Energy: 0.7669709035061177
Energy: 0.7687345466842317
Energy: 0.7642548834993124
Energy: 0.9211419819526541
Energy: 0.7642548834985994
Energy: 1.071423581812241
Energy: 0.7680716084984707
Energy: 0.9043288840696397
Energy: 0.7680716084970448
Energy: 0.9084538247859903
Energy: 0.7667694323534332
Energy: 1.0862908588380868
Energy: 0.7667694323534332
Energy: 0.9055455817600242
Energy: 0.7654864716567475
Energy: 0.8991486801410333
Energy: 0.7654864716574604
Energy: 0.9054631877042694
Energy: 0.7643687061815762
Energy: 0.9009159475062414
Energy: 0.7643687061815762
Energy: 0.9040783152448335
Energy: 0.7634548571521953
Energy: 0.9243083439102513
Energy: 0.7634548571521953
Energy: 0.7628011009021182
Energy: 0.7670138029891379
Energy: 0.906558219832995
Energy: 0.7670138029898508
Energy: 0.7634272203756022
Energy: 0.763957199357094
Energy: 0.9056512054911583
Energy: 0.7639571993563811
Energy: 0.7663262933025257
Energy: 0.7770532859062651
Energy: 1.4041754922457959
Energy: 0.7770532859062651
Energy: 0.9005131502873388
Energy: 0.7632006131957418
Energy: 0.9060599903670536
Energy: 0.7632006131971677
Energy: 0.9013090101636805
Energy: 0.807770197383199
Energy: 0.9001532345702712
Energy: 0.807770197382486
Energy: 0.903961062185938
Energy: 0.8103268628228767
Energy: 1.0705555171957906
Energy: 0.8103268628221638
Energy: 0.9122558127804887
Energy: 0.7661465769551803
Energy: 0.9044646913232705
Energy: 0.7661465769551803
Energy: 0.909617393926547
Energy: 0.7656224941749273
Energy: 0.7689784301989072
Energy: 0.7656224941749273
Energy: 1.0599104506296477
Energy: 0.7641022871770726
Energy: 0.76656917640093
Energy: 0.7641022871770726
Energy: 0.769372029638669
Energy: 0.7673924863376876
Energy: 0.7658115579367103
Energy: 0.7673924863376876
Energy: 1.028070893790019
Energy: 0.766602243669109
Energy: 0.9004017674174969
Energy: 0.766602243669109
Energy: 0.9046933786429795
Energy: 0.7636462776736618
Energy: 0.920954570473199
Energy: 0.7636462776743748
Energy: 1.075291095592221
Energy: 0.7643967329392539
Energy: 0.9008489811513988
Energy: 0.7643967329392539
Energy: 0.9045718841500295
Energy: 0.8201028071383571
Energy: 0.9000992420790611
Energy: 0.8201028071369313
Energy: 0.907220018440658
Energy: 0.7675536856476555
Energy: 1.0872659924647237
Energy: 0.7675536856483682
Energy: 0.7689653885832003
Energy: 0.7630002495643001
Energy: 1.0597121396870635
Energy: 0.7630002495635874
Energy: 0.9020060575809031
Energy: 0.7646975100515706
Energy: 0.9095419423169926
Energy: 0.7646975100508577
Energy: 0.7651738944821264
Energy: 0.7630643142130793
Energy: 0.9093380952569046
Energy: 0.7630643142130793
Energy: 0.7632882987415986
Energy: 0.7627541015762488
Energy: 1.0624242076972714
Energy: 0.7627541015762488
Energy: 0.7783278594064267
Energy: 0.7673493256877376
Energy: 0.7703654098718528
Energy: 0.767349325686312
Energy: 0.8997018368539647
Energy: 0.7663708323321731
Energy: 1.0293496815048788
Energy: 0.7663708323335987
Energy: 0.9209142916240806
Energy: 0.8108103719449474
Energy: 0.8998607687192927
Energy: 0.8108103719456603
Energy: 0.901690868234568
Energy: 0.8077303589092777
Energy: 1.07586465045456
Energy: 0.8077303589099907
Energy: 0.9098350197843394
Energy: 0.7649761624444638
Energy: 0.8998143566136706
Energy: 0.7649761624458896
Energy: 0.9107419532469421
Energy: 0.7659343257955151
Energy: 0.7810221902694859
Energy: 0.7659343257955151
Energy: 1.0617430529994039
Energy: 0.7626260106574774
Energy: 0.763463146170242
Energy: 0.7626260106581904
Energy: 1.0281601363022372
Energy: 0.7647707198410352
Energy: 0.7683900759241553
Energy: 0.7647707198403223

minimum gb energy = 0.7621098447282888 eV
minimum distance =  2.29565549214984 Angstroms
sigma value = 37


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

Energy: 1.3707235637795139
Energy: 0.7039217522959533
Energy: 0.7127275353739286
Energy: 0.713271147843934
Energy: 1.0550792158692286
Energy: 0.7122415090207828
Energy: 0.9552519543133541
Energy: 0.7122415090207828
Energy: 1.055380032917209
Energy: 0.7109973425011369
Energy: 0.950443225587665
Energy: 0.7109973424999103
Energy: 1.0566748383547055
Energy: 0.7974284213692069
Energy: 0.931535480507698
Energy: 0.7974284213704335
Energy: 1.1593093143410973
Energy: 0.7036628433119819
Energy: 1.0624886019896578
Energy: 0.7036628433119819
Energy: 0.8313205461449173
Energy: 0.7011491535068171
Energy: 1.0509566726372526
Energy: 0.7011491535055905
Energy: 0.8275908140813543
Energy: 0.7002483081757352
Energy: 1.1572979782244055
Energy: 0.7002483081757352
Energy: 0.8270083637580739
Energy: 0.6938265066801462
Energy: 1.0806989561164673
Energy: 0.6938265066776931
Energy: 0.8159018469174325
Energy: 0.6961557877050887
Energy: 1.061299517518753
Energy: 0.6961557877050887
Energy: 0.8153757823420194
Energy: 0.6905783867555926
Energy: 1.1559816176370958
Energy: 0.6905783867555926
Energy: 0.8525482877323338
Energy: 0.852316011492028
Energy: 1.223705735290255
Energy: 0.852316011492028
Energy: 1.0500572963558188
Energy: 0.6905066257400916
Energy: 1.1558925399026927
Energy: 0.6905066257400916
Energy: 1.0482938829045876
Energy: 0.6900081417334598
Energy: 1.0554206344284784
Energy: 0.6900081417334598
Energy: 1.0500146026675845
Energy: 0.7762985694408067
Energy: 1.057127742574532
Energy: 0.7762985694408067
Energy: 1.0624886019896578
Energy: 0.7865849662424234
Energy: 1.156777369734736
Energy: 0.7865849662424234
Energy: 1.0509566726262134
Energy: 0.7849451880817746
Energy: 0.8175620784915739
Energy: 0.7849451880817746
Energy: 1.159871241308082
Energy: 0.7846591260840342
Energy: 0.8276055938896778
Energy: 0.7846591260828077
Energy: 1.080698956131186
Energy: 0.7110603212771882
Energy: 0.6917774430058606
Energy: 0.7110603212784148
Energy: 1.0612995175395765
Energy: 0.7145866363451938
Energy: 0.7113569495404405
Energy: 0.7145866363451938
Energy: 1.0513549742209314
Energy: 0.7124223012282317
Energy: 0.719749076118892
Energy: 0.7124223012282317

minimum gb energy = 0.6900081417334598 eV
minimum distance =  2.29025587246213 Angstroms
sigma value = 25


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

Energy: 1.4572678878343484
Energy: 0.6215749540046415
Energy: 0.8660273855500799
Energy: 0.6174008509039006
Energy: 1.3021801556618693
Energy: 0.6152931321669673
Energy: 0.8069000724189231
Energy: 0.6152931321669673
Energy: 1.3060961322620888
Energy: 0.6144255538640244
Energy: 0.8105036244495352
Energy: 0.6144255538640244
Energy: 1.0143350498566717
Energy: 0.6160223404418796
Energy: 0.8067847565086755
Energy: 0.6160223404437516
Energy: 1.153256720457158
Energy: 0.6817612664910103
Energy: 1.1601698441908461
Energy: 0.6817612664910103
Energy: 0.9997300355724932
Energy: 0.6800540007278154
Energy: 1.154584247313144
Energy: 0.6800540007278154
Energy: 1.0028906136114522
Energy: 0.6818336677170456
Energy: 1.1535285755558933
Energy: 0.6818336677170456
Energy: 0.8067311006932122
Energy: 0.6203628589069901
Energy: 1.1499570993417794
Energy: 0.6203628589069901
Energy: 0.8103051607863463
Energy: 0.6143583608108272
Energy: 1.3117887075542387
Energy: 0.6143583608108272
Energy: 0.8112494348747288
Energy: 0.6154031724261494
Energy: 1.3084748451699841
Energy: 0.6154031724271071
Energy: 0.6158456733858317
Energy: 0.6193773601875898
Energy: 1.2365921590260112
Energy: 0.6193773601875898
Energy: 0.6182812919726659
Energy: 0.6151966321104587
Energy: 1.3086112258861773
Energy: 0.6151966321104587
Energy: 0.6162322745493327
Energy: 0.6183111341259151
Energy: 1.3023324966630583
Energy: 0.6183111341259151
Energy: 0.6283878735878619
Energy: 0.6221474307244815
Energy: 1.3002712604032922
Energy: 0.6221474307254393
Energy: 0.8106521546073285
Energy: 0.6140416545620873
Energy: 1.3056506988758068
Energy: 0.6140416545640028
Energy: 0.8112104189277471
Energy: 0.6157684801548652
Energy: 1.3085364207949104
Energy: 0.6157684801548652
Energy: 1.0081450567921526
Energy: 0.6174889474295828
Energy: 1.3022286638227076
Energy: 0.6174889474286249
Energy: 0.8153960267570607
Energy: 0.6846855256629023
Energy: 1.1565555206846343
Energy: 0.6846855256629023
Energy: 1.1533765647435528
Energy: 0.6809503768514255
Energy: 1.0019109608710597
Energy: 0.6809503768523832
Energy: 1.3085859052323878
Energy: 0.6810348343875613
Energy: 1.0004421491484226
Energy: 0.6810348343866035
Energy: 1.2375022881943913
Energy: 0.6184361038419502
Energy: 0.8135878451749167
Energy: 0.6184361038419502
Energy: 1.3100064896304495
Energy: 0.6135494772865935
Energy: 0.6149598556712563
Energy: 0.6135494772865935
Energy: 1.303271616757704
Energy: 0.6170586136867258
Energy: 0.8062866649928304
Energy: 0.6170586136867258
Energy: 1.1518537859453446
Energy: 0.6168553452762107
Energy: 0.6226855462859335
Energy: 0.6168553452762107
Energy: 1.3058713042410492
Energy: 0.6139982331949063
Energy: 0.6146954599316317
Energy: 0.6139982331949063
Energy: 1.3069433826868435
Energy: 0.6161159606233605
Energy: 0.619699079004372
Energy: 0.6161159606233605

minimum gb energy = 0.6135494772865935 eV
minimum distance =  2.30891905560135 Angstroms
sigma value = 41


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

Energy: 1.6039244518167215
Energy: 0.5669474884648569
Energy: 0.8232799944318121
Energy: 0.5604092825741199
Energy: 1.405031167426801
Energy: 0.5583329848531068
Energy: 0.7174271681233174
Energy: 0.5583329848531068
Energy: 1.4033452157051733
Energy: 0.5565197585837807
Energy: 0.7223970578532333
Energy: 0.5565197585829955
Energy: 1.1537693368076698
Energy: 0.5596635620223692
Energy: 0.8905806795449429
Energy: 0.5596635620223692
Energy: 1.2775461360815363
Energy: 0.5550085041242505
Energy: 1.0182205338543902
Energy: 0.5550085041250357
Energy: 1.1467103908605778
Energy: 0.5568558677101513
Energy: 1.0132780193808206
Energy: 0.5568558677101513
Energy: 1.1510926461449265
Energy: 0.613133372715785
Energy: 1.1528886747615545
Energy: 0.613133372715785
Energy: 1.0214384149855797
Energy: 0.6178975875159586
Energy: 1.020115563417766
Energy: 0.6178975875159586
Energy: 0.880620069104861
Energy: 0.557427874765721
Energy: 1.2744522301219408
Energy: 0.5574278747665061
Energy: 0.8799841706955845
Energy: 0.555271381199509
Energy: 1.2794416583473043
Energy: 0.555271381199509
Energy: 0.7278725559512709
Energy: 0.5613131052638756
Energy: 1.2708954749043053
Energy: 0.5613131052638756
Energy: 0.7190622802336519
Energy: 0.5560751877419213
Energy: 1.4030153583519327
Energy: 0.5560751877434917
Energy: 0.7182047133121564
Energy: 0.5584561196301415
Energy: 1.4070697848682623
Energy: 0.5584561196293562
Energy: 0.5656157341590485
Energy: 0.5599119243239943
Energy: 1.2700229073296563
Energy: 0.5599119243239943
Energy: 0.5576725227015593
Energy: 0.5574463829977161
Energy: 1.40088603284081
Energy: 0.5574463829977161
Energy: 0.5621519957776177
Energy: 0.5579740749679164
Energy: 1.4043648128461041
Energy: 0.5579740749679164
Energy: 0.7245275383537304
Energy: 0.5600331360565967
Energy: 1.4084890887348742
Energy: 0.5600331360565967
Energy: 0.7191229718305718
Energy: 0.5550985803965572
Energy: 1.3999048027477667
Energy: 0.5550985803965572
Energy: 0.7196860909276451
Energy: 0.5598757841240377
Energy: 1.1486282642849346
Energy: 0.5598757841240377
Energy: 1.0140746632318693
Energy: 0.5577958095895517
Energy: 1.146787400666224
Energy: 0.5577958095903369
Energy: 1.021575251888569
Energy: 0.5559221706259637
Energy: 1.2719657207305128
Energy: 0.5559221706243933
Energy: 1.0148718911540417
Energy: 0.6113991610317644
Energy: 1.1541757648613273
Energy: 0.6113991610325495
Energy: 1.274646767906918
Energy: 0.609504271963939
Energy: 1.1443607204505166
Energy: 0.609504271963939
Energy: 1.0190750482033908
Energy: 0.6127104817383138
Energy: 1.0141059971609598
Energy: 0.6127104817383138
Energy: 1.2728603395507097
Energy: 0.5555924569301872
Energy: 0.8815908173452862
Energy: 0.5555924569301872
Energy: 1.2747519717644908
Energy: 0.557456235909513
Energy: 1.0146502881356454
Energy: 0.557456235909513
Energy: 1.2796437803135796
Energy: 0.5607034614418009
Energy: 0.719871546295285
Energy: 0.5607034614418009
Energy: 1.3993417786730316
Energy: 0.5558359026814096
Energy: 0.7206324602260081
Energy: 0.5558359026806244
Energy: 1.2783880302519306
Energy: 0.559613208261507
Energy: 0.7235218791133389
Energy: 0.559613208261507
Energy: 1.2760955328520174
Energy: 0.5595402025319686
Energy: 0.5584277672588935
Energy: 0.5595402025319686
Energy: 1.4003496737953058
Energy: 0.5572768717874573
Energy: 0.5572185284067422
Energy: 0.5572768717882425
Energy: 1.3954893386681644
Energy: 0.5584504333364518
Energy: 0.5654071013958262
Energy: 0.5584504333364518

minimum gb energy = 0.5550085041242505 eV
minimum distance =  2.30839280706284 Angstroms
sigma value = 15


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

Energy: 1.3832170302283715
Energy: 0.5213934864080576
Energy: 0.7887142261510647
Energy: 0.5190227575616335
Energy: 1.471643451078991
Energy: 0.5141093692085004
Energy: 0.6501334279971006
Energy: 0.5141093692085004
Energy: 1.4694045277517593
Energy: 0.5128095155806477
Energy: 0.6536925899461938
Energy: 0.5128095155806477
Energy: 1.2576538932243542
Energy: 0.5162393476666229
Energy: 0.9146796566683671
Energy: 0.5162393476679533
Energy: 1.2513805794402106
Energy: 0.5100060269572257
Energy: 0.9074942948100082
Energy: 0.510006026957891
Energy: 1.2500388232502222
Energy: 0.510791000266809
Energy: 0.905068817305861
Energy: 0.5107910002654785
Energy: 1.0240912228738115
Energy: 0.5196654860874886
Energy: 1.1359397987529114
Energy: 0.5196654860874886
Energy: 1.1401582159465213
Energy: 0.5616549051044065
Energy: 0.9065686820932334
Energy: 0.5616549051044065
Energy: 1.0229982759506386
Energy: 0.5567213841016317
Energy: 1.1335659353949872
Energy: 0.5567213841003014
Energy: 1.0216045062600088
Energy: 0.5577750234368886
Energy: 1.355281059302776
Energy: 0.5577750234362234
Energy: 0.9124568368524899
Energy: 0.5144242576379806
Energy: 1.1469252010629731
Energy: 0.5144242576399762
Energy: 0.7860009170410391
Energy: 0.5103165844322437
Energy: 1.3555604918005835
Energy: 0.5103165844302482
Energy: 0.9060567389436022
Energy: 0.5113647891510933
Energy: 1.358356854203596
Energy: 0.511364789150428
Energy: 0.6591846482884638
Energy: 0.515962564969534
Energy: 1.143809176391607
Energy: 0.5159625649715295
Energy: 0.6489244025116198
Energy: 0.5108030619695031
Energy: 1.4653813012426495
Energy: 0.5108030619734942
Energy: 0.6560646421141392
Energy: 0.514318967819953
Energy: 1.360847831454808
Energy: 0.5143189678186226
Energy: 0.5177457141463755
Energy: 0.5151251978655418
Energy: 1.366484951049026
Energy: 0.5151251978661465
Energy: 0.5118308205981497
Energy: 0.5113608497986968
Energy: 1.4645738715735641
Energy: 0.5113608497973663
Energy: 0.5172536578206779
Energy: 0.5150835554619884
Energy: 1.2543724231321745
Energy: 0.5150835554619884
Energy: 0.6562626461893084
Energy: 0.5164054990249913
Energy: 1.4719222637582223
Energy: 0.5164054990249913
Energy: 0.6472959219390261
Energy: 0.5110284688293845
Energy: 1.4650815826665113
Energy: 0.5110284688300496
Energy: 0.6588276302529529
Energy: 0.5156304627809102
Energy: 1.257013414181055
Energy: 0.5156304627809102
Energy: 0.9052550497070924
Energy: 0.5118887008731141
Energy: 1.2476188776471047
Energy: 0.5118887008724489
Energy: 0.9086321942211111
Energy: 0.5105303789904452
Energy: 1.3570083730120948
Energy: 0.5105303789937711
Energy: 0.9132873943621876
Energy: 0.5140628178321548
Energy: 1.0312583373275275
Energy: 0.5140628178274984
Energy: 1.1361163194420962
Energy: 0.557640523590343
Energy: 1.256315833725443
Energy: 0.5576405235850214
Energy: 0.9068842687793338
Energy: 0.556916777844401
Energy: 1.1348201316180049
Energy: 0.5569167778457313
Energy: 1.1415187486225506
Energy: 0.5620564348924363
Energy: 1.0305915037541271
Energy: 0.5620564348931015
Energy: 1.1389981247417114
Energy: 0.5176252520062289
Energy: 1.1364036246938714
Energy: 0.5176252520035681
Energy: 1.1366583605903757
Energy: 0.5111934517473414
Energy: 0.9060020590619796
Energy: 0.5111934517573193
Energy: 1.3618625086250564
Energy: 0.5103167511942023
Energy: 0.7856581235205351
Energy: 0.5103167511935371
Energy: 1.1425533546003914
Energy: 0.5175540865073143
Energy: 0.9131986525801126
Energy: 0.5175540865066491
Energy: 1.3590577667347168
Energy: 0.5132713975161529
Energy: 0.6542189162011239
Energy: 0.5132713975154878
Energy: 1.3552013221802064
Energy: 0.5128308615760123
Energy: 0.6540035157916795
Energy: 0.5128308615760123
Energy: 1.3537709957330113
Energy: 0.5163047738154141
Energy: 0.5277133282726064
Energy: 0.5163047738154141
Energy: 1.4700275883366127
Energy: 0.5154009309927499
Energy: 0.5167698381074654
Energy: 0.515400930993415
Energy: 1.4667740956761506
Energy: 0.5138646122640992
Energy: 0.5139595908256491
Energy: 0.5138646122640992

minimum gb energy = 0.5100060269572257 eV
minimum distance =  2.30836255472873 Angstroms
sigma value = 85


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

Energy: 1.5511034328688504
Energy: 0.4801226920989397
Energy: 0.46140592698054383
Energy: 0.46043001156289776
Energy: 1.3568962622641074
Energy: 0.461220275711364
Energy: 0.5853203350471686
Energy: 0.461220275711364
Energy: 1.3570944515553995
Energy: 0.4606951820514341
Energy: 0.585400726018115
Energy: 0.46069518205201104
Energy: 1.1572762120696203
Energy: 0.46352449891544295
Energy: 0.8082390422628396
Energy: 0.4635244989160198
Energy: 1.3595588096528988
Energy: 0.45898390278268
Energy: 0.8083009050794635
Energy: 0.45898390278210305
Energy: 1.161845147234343
Energy: 0.45985974342008645
Energy: 0.8091653172681913
Energy: 0.4598597434206634
Energy: 1.158680581872915
Energy: 0.46033758740383246
Energy: 1.0153129477725065
Energy: 0.4603375874061402
Energy: 1.2181064299349202
Energy: 0.45926252945401747
Energy: 0.8617574959829521
Energy: 0.45926252945401747
Energy: 1.1653115658321804
Energy: 0.46033515559110444
Energy: 1.0118052628808163
Energy: 0.46033515577044914
Energy: 1.1641225809740094
Energy: 0.542660268584427
Energy: 1.2098579275144867
Energy: 0.542660268584427
Energy: 1.0126256000632452
Energy: 0.4594457319293425
Energy: 1.059752510116084
Energy: 0.45944572907482767
Energy: 0.9643919699809885
Energy: 0.459050827636588
Energy: 1.21029758969607
Energy: 0.45905082764408806
Energy: 1.012015831809559
Energy: 0.4588085301350049
Energy: 1.2606282173665195
Energy: 0.4588085301511588
Energy: 0.8082730014651686
Energy: 0.4610872239255249
Energy: 1.0578676085132643
Energy: 0.4610872239255249
Energy: 0.7540391711267915
Energy: 0.45859457161634304
Energy: 1.4016253599314747
Energy: 0.4585945716151892
Energy: 0.8116959154572408
Energy: 0.4611502772987896
Energy: 1.2617414345961468
Energy: 0.4611502772987896
Energy: 0.5750502525679493
Energy: 0.45948636312570207
Energy: 1.2576998039192393
Energy: 0.45948636312570207
Energy: 0.5776614094316063
Energy: 0.45939581515880956
Energy: 1.451468897906932
Energy: 0.45939581515880956
Energy: 0.571910059657826
Energy: 0.459860291435001
Energy: 1.448821316524199
Energy: 0.459860291435001
Energy: 0.5193239842369404
Energy: 0.459190338838236
Energy: 1.4481650057949371
Energy: 0.4591903388365052
Energy: 0.517029184590957
Energy: 0.45690133082790596
Energy: 1.4978263984219204
Energy: 0.456901330827329
Energy: 0.5193986207269483
Energy: 0.4620655542186183
Energy: 1.305765156327613
Energy: 0.46206555421804135
Energy: 0.6465344718347101
Energy: 0.46012394066695916
Energy: 1.4943487764159697
Energy: 0.46012394066638224
Energy: 0.6404920376517181
Energy: 0.45876578834948567
Energy: 1.4965512897836193
Energy: 0.4587657883500626
Energy: 0.6442015780717919
Energy: 0.45888466472724687
Energy: 1.1574924154055368
Energy: 0.45888466472666994
Energy: 0.8034677809678892
Energy: 0.45911104685886267
Energy: 1.5012442045317622
Energy: 0.45911104685886267
Energy: 0.8032421869623705
Energy: 0.4584538302519372
Energy: 1.35620827106359
Energy: 0.4584538302519372
Energy: 0.9031992573445078
Energy: 0.4594778597615854
Energy: 1.1589019030629302
Energy: 0.4594778597621623
Energy: 1.0156001566839794
Energy: 0.4583899752371881
Energy: 1.3568380965839926
Energy: 0.4583899752446881
Energy: 1.0126346377919409
Energy: 0.45836590971275215
Energy: 1.1611351204942497
Energy: 0.4583659097617644
Energy: 1.213630503590281
Energy: 0.542531034368888
Energy: 0.9625432774407235
Energy: 0.5425310343550418
Energy: 1.0593221412106613
Energy: 0.542461461979454
Energy: 1.1703994895697474
Energy: 0.5424614620250309
Energy: 1.2127491795259624
Energy: 0.611786750227218
Energy: 0.9603815369844279
Energy: 0.6117867502266411
Energy: 1.315552287042263
Energy: 0.45941532788458517
Energy: 0.9618364307467643
Energy: 0.45941532787422673
Energy: 1.058168302615091
Energy: 0.4618385624862699
Energy: 0.8083827658347778
Energy: 0.461838562485693
Energy: 1.4056281641821389
Energy: 0.45917253923907336
Energy: 0.8077432812836443
Energy: 0.4591725392413811
Energy: 1.4528022990550493
Energy: 0.45990977517819603
Energy: 0.808053270035261
Energy: 0.4599097751799268
Energy: 1.2573870524732784
Energy: 0.4598599536743273
Energy: 0.5821196209691681
Energy: 0.4598599536737504
Energy: 1.5015874709126646
Energy: 0.4592205091531665
Energy: 0.5802560537062166
Energy: 0.45922050915258955
Energy: 1.4482550436097519
Energy: 0.45959348869572486
Energy: 0.5863112660588493
Energy: 0.45959348869572486
Energy: 1.256138217929061
Energy: 0.460690417341791
Energy: 0.4616281218292235
Energy: 0.4606904173412141
Energy: 1.499073756531043
Energy: 0.4592782661763387
Energy: 0.45999452564702265
Energy: 0.4592782661763387
Energy: 1.3539068227324575
Energy: 0.46079098017327974
Energy: 0.45962153046408233
Energy: 0.46079098017327974

minimum gb energy = 0.456901330827329 eV
minimum distance =  2.30171320283087 Angstroms
sigma value = 113


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

Energy: 0.015446867408934905
Energy: 0.016528126946077547
Energy: 1.1478543393415053
Energy: 0.4121372080680707
Energy: 0.01619328434478246
Energy: 0.10532538196020823
Energy: 0.8385226261455553
Energy: 0.10532538196020823
Energy: 0.015981449424372945
Energy: 0.10380321601216859
Energy: 0.8371326182111726
Energy: 0.1038032160126121
Energy: 0.017193437687266385
Energy: 0.10623302145138316
Energy: 0.8402441044321634
Energy: 0.10623302145138316
Energy: 0.8392559751975202
Energy: 0.10562634705766595
Energy: 0.8396705089902843
Energy: 0.10562634705766595
Energy: 0.015968137030842256
Energy: 0.10359315443798196
Energy: 0.8369102521306349
Energy: 0.10359315443798196

minimum gb energy = 0.015446867408934905 eV
minimum distance =  2.52169859978262 Angstroms
sigma value = 1