Model name: model_name=Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.836713165044785
cohesive_energy=4.485771163676649
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.72571630673144e-17 eV

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

Energy: 0.014079517102559181
Energy: 0.014377593151246619
Energy: 3.498464351167159
Energy: 0.014377593151246619
Energy: 0.014377593150256314
Energy: 0.014453351911463606
Energy: 0.8016621706778504
Energy: 0.014453351912482204
Energy: 3.498464351167159
Energy: 0.8016621706758416
Energy: 0.7961894631231631
Energy: 0.8016621706708618
Energy: 0.014377593150256314
Energy: 0.014453351912482204
Energy: 0.8016621706768319
Energy: 0.014453351911463606

minimum gb energy = 0.014079517102559181 eV
minimum distance =  2.45333086486503 Angstroms
sigma value = 1


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

Energy: 2.008702180806094
Energy: 1.665029968346002
Energy: 1.394804141909625
Energy: 1.6650299683447665
Energy: 2.2422121659078975
Energy: 1.373013137312142
Energy: 1.4406589180203973
Energy: 1.3730131373109065
Energy: 2.3960862909312786
Energy: 1.409535459891542
Energy: 1.3882965101736942
Energy: 1.409535459891542
Energy: 1.9059657974770916
Energy: 1.4761034025849613
Energy: 1.4404866810857313
Energy: 1.4761034025849613
Energy: 1.9073247681789944
Energy: 1.3721269322880738
Energy: 1.9091605257302957
Energy: 1.3721269322893093
Energy: 2.2222680881437604
Energy: 1.3709954977074437
Energy: 1.3881405045180724
Energy: 1.3709954977074437
Energy: 1.6266035587484604
Energy: 1.4267920407828827
Energy: 1.3705806320790255
Energy: 1.4267920407841177
Energy: 1.372686483220348
Energy: 1.3710618854104386
Energy: 1.9088822674474628
Energy: 1.3710618854104386
Energy: 1.645221273286789
Energy: 1.3713860879167197
Energy: 1.893205772551889
Energy: 1.3713860879167197
Energy: 1.41025471523648
Energy: 1.4305540032352078
Energy: 1.6459599180319273
Energy: 1.4305540032339723
Energy: 1.4204860740159289
Energy: 1.4307234389229475
Energy: 1.7796186671572318
Energy: 1.430723438921712
Energy: 1.4077626335206102
Energy: 1.3832284614305028
Energy: 2.912104134952821
Energy: 1.3832284614292674
Energy: 1.6500949901244026
Energy: 1.3732870438239173
Energy: 1.938345361834493
Energy: 1.3732870438239173
Energy: 1.4077256425824287
Energy: 1.4305033117722492
Energy: 1.9300560874663761
Energy: 1.4305033117734847
Energy: 1.4120388110455213
Energy: 1.3715832142683946
Energy: 2.2252496305065237
Energy: 1.3715832142683946
Energy: 1.4076618023478564
Energy: 1.3717337277036659
Energy: 2.225162665066345
Energy: 1.371733727704901
Energy: 1.4077212133047676
Energy: 1.431250599262393
Energy: 1.9298895345617353
Energy: 1.4312505992611577
Energy: 1.6533944423126137
Energy: 1.3728591458902617
Energy: 1.938601252618363
Energy: 1.3728591458902617
Energy: 1.3861693980597496
Energy: 1.3829584648923043
Energy: 3.0057782653141003
Energy: 1.3829584648923043
Energy: 1.4204954154614313
Energy: 1.43096872417646
Energy: 1.6564823831009792
Energy: 1.43096872417646
Energy: 1.4081798255110052
Energy: 1.3712478001118795
Energy: 1.6436427863569556
Energy: 1.3712478001118795
Energy: 1.6459353130052135
Energy: 1.3722986973433173
Energy: 1.893212688879608
Energy: 1.372298697344553
Energy: 1.5064408498234598
Energy: 1.3709172044037141
Energy: 1.631302801226527
Energy: 1.3709172044098907
Energy: 1.8943342677987942
Energy: 1.4285475567473245
Energy: 1.370520158591074
Energy: 1.4285475567473245
Energy: 2.2223053233365326
Energy: 1.37104543822882
Energy: 1.4029434198943045
Energy: 1.3710454382300554
Energy: 1.9059787484860942
Energy: 1.3722190683416569
Energy: 1.9091405116299696
Energy: 1.3722190683416569
Energy: 1.9050853098693585
Energy: 1.4787176452410782
Energy: 1.415890016161474
Energy: 1.4787176452423134
Energy: 2.5771399174129845
Energy: 1.4109742510656789
Energy: 1.3876606690554463
Energy: 1.4109742510656789
Energy: 2.240951353286708
Energy: 1.3728901124617465
Energy: 1.440379555707622
Energy: 1.3728901124617465
Energy: 1.9724572631867514
Energy: 1.3856154441541049
Energy: 1.407146292756794
Energy: 1.3856154441541049
Energy: 2.2428783294769983
Energy: 1.3730673855039341
Energy: 1.4406155267514622
Energy: 1.3730673855051694
Energy: 2.222248344355453
Energy: 1.3831709464534196
Energy: 1.3916655356589034
Energy: 1.3831709464534196
Energy: 1.9070729774106039
Energy: 1.475472427040828
Energy: 1.440492922779911
Energy: 1.475472427040828

minimum gb energy = 1.370520158591074 eV
minimum distance =  2.18842230156302 Angstroms
sigma value = 1


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

Energy: 2.099943807480363
Energy: 1.4645271003848328
Energy: 1.5005888000237297
Energy: 1.4645271003848328
Energy: 2.046264214253452
Energy: 1.4443131913000553
Energy: 1.55049165356209
Energy: 1.4443131913000553
Energy: 2.031185636749347
Energy: 1.4800703751944289
Energy: 1.5052320885379105
Energy: 1.4800703751944289
Energy: 1.443894036046039
Energy: 1.5131056182480227
Energy: 1.5503694218286452
Energy: 1.5131056182480227
Energy: 1.4438096858228018
Energy: 1.4594620735440738
Energy: 2.0945892431651303
Energy: 1.4594620735454822
Energy: 2.031225043422375
Energy: 1.459467379167245
Energy: 1.4855806068479638
Energy: 1.459467379167245
Energy: 1.5048660521956072
Energy: 1.5051827697340057
Energy: 1.485851323711077
Energy: 1.5051827697340057
Energy: 1.457417675080858
Energy: 1.4592524578085766
Energy: 2.094803499897684
Energy: 1.4592524578071682
Energy: 1.5049570554290634
Energy: 1.4442511484714466
Energy: 2.030863786647651
Energy: 1.4442511484714466
Energy: 1.550415696824509
Energy: 1.4436279074393863
Energy: 1.4436091031584857
Energy: 1.4436279074393863
Energy: 1.484587128068573
Energy: 1.4595150956373464
Energy: 2.0309169776822027
Energy: 1.4595150956359377
Energy: 1.4854250250753975
Energy: 1.4593724621951474
Energy: 2.7996544922873
Energy: 1.459372462193739
Energy: 1.5504899433912416
Energy: 1.5071282828128731
Energy: 2.045861506904086
Energy: 1.5071282828128731
Energy: 1.5504899433898327
Energy: 1.507197656824398
Energy: 2.0458653589522675
Energy: 1.507197656824398
Energy: 1.4854002739343612
Energy: 1.4593942645045792
Energy: 2.7996061707444264
Energy: 1.4593942645045792
Energy: 1.4845151626817987
Energy: 1.4595031674282346
Energy: 2.0309093887376655
Energy: 1.4595031674282346
Energy: 1.5504156968259175
Energy: 1.4436186667777804
Energy: 1.4435998769487468
Energy: 1.4436186667777804
Energy: 1.504976120530889
Energy: 1.4442330013041764
Energy: 2.030822923171405
Energy: 1.4442330013041764
Energy: 1.45742219636455
Energy: 1.459333628555794
Energy: 2.094803499897684
Energy: 1.459333628555794
Energy: 1.504902689319199
Energy: 1.5054031269882908
Energy: 1.485652238122396
Energy: 1.5054031269882908
Energy: 2.0311854849222337
Energy: 1.4594967058473847
Energy: 1.4856508233669177
Energy: 1.4594967058473847
Energy: 1.4437998359506525
Energy: 1.4592456011500172
Energy: 2.0945892431637216
Energy: 1.4592456011500172
Energy: 1.4438916596243976
Energy: 1.5129839375247762
Energy: 1.5503694218286452
Energy: 1.5129839375247762
Energy: 2.0311826242295106
Energy: 1.4801057453490396
Energy: 1.5052889921139134
Energy: 1.4801057453476312
Energy: 2.0467681584498787
Energy: 1.4442844231158047
Energy: 1.5504916535606814
Energy: 1.4442844231158047
Energy: 2.099943807476138
Energy: 1.4645271003848328
Energy: 1.5005318311559128
Energy: 1.4645271003848328
Energy: 2.046264214240775
Energy: 1.4443131913000553
Energy: 1.55049165356209
Energy: 1.4443131913000553
Energy: 2.031185636749347
Energy: 1.4800703751944289
Energy: 1.5052320885379105
Energy: 1.4800703751944289
Energy: 1.443894036046039
Energy: 1.5131056182480227
Energy: 1.5503694218286452
Energy: 1.5131056182480227

minimum gb energy = 1.4435998769487468 eV
minimum distance =  2.19665665027355 Angstroms
sigma value = 25


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

Energy: 2.1616807307737154
Energy: 1.7088492357614522
Energy: 1.6001054268189774
Energy: 1.7088492357614522
Energy: 2.2624700118207968
Energy: 1.5644408541707908
Energy: 1.6490347169694037
Energy: 1.5644408541707908
Energy: 2.2470312205590823
Energy: 1.5839397684056078
Energy: 1.5733820649125694
Energy: 1.5839397684056078
Energy: 1.907879479871832
Energy: 1.5675538653783414
Energy: 1.649384248023261
Energy: 1.567553865376704
Energy: 1.9089014117710656
Energy: 1.5676052719812195
Energy: 1.9096507313084745
Energy: 1.5676052719795819
Energy: 2.24689936953896
Energy: 1.564365915568293
Energy: 1.5631820309569362
Energy: 1.564365915568293
Energy: 1.620562302259225
Energy: 1.5672977013569964
Energy: 1.582296597610624
Energy: 1.5672977013569964
Energy: 1.5674096142327307
Energy: 1.59207926289388
Energy: 2.2806893644682997
Energy: 1.5920792628955172
Energy: 1.6299834706365124
Energy: 1.6230646570999518
Energy: 1.9365457569157234
Energy: 1.6230646570999518
Energy: 1.61104385202609
Energy: 1.571363763395399
Energy: 1.9236890509756448
Energy: 1.5713637633937614
Energy: 1.6124738662595592
Energy: 1.622816755180337
Energy: 2.2446509811267172
Energy: 1.622816755181974
Energy: 1.6313136612305472
Energy: 1.5922797568886315
Energy: 2.2445849124282113
Energy: 1.5922797568886315
Energy: 1.6108483243288334
Energy: 1.5714639462182105
Energy: 1.9254415575154393
Energy: 1.5714639462182105
Energy: 1.6303110170655568
Energy: 1.6226479263338462
Energy: 1.9237015133911588
Energy: 1.6226479263338462
Energy: 1.60870878603392
Energy: 1.5922904214600215
Energy: 2.7981813658019927
Energy: 1.592290421458384
Energy: 1.6208540533016802
Energy: 1.5674744600814985
Energy: 1.6000358415009175
Energy: 1.5674744600814985
Energy: 2.7364092693447577
Energy: 1.5643333629183431
Energy: 1.5630398510899162
Energy: 1.5643333629199805
Energy: 1.9119856175308751
Energy: 1.5677236413815614
Energy: 1.9095264144202493
Energy: 1.5677236413815614
Energy: 1.7434363844893705
Energy: 1.5676891113004319
Energy: 1.649381500621526
Energy: 1.5676891113004319
Energy: 1.9139146567148677
Energy: 1.5645015336052808
Energy: 1.5756176411387686
Energy: 1.5645015336036436
Energy: 2.260989087499848
Energy: 1.5642300948874837
Energy: 1.5738721736660557
Energy: 1.5642300948874837
Energy: 1.968580107061294
Energy: 1.571492620300483
Energy: 1.6476875450456914
Energy: 1.571492620300483
Energy: 2.2610588603147583
Energy: 1.6341632932295629
Energy: 1.6490873291981771
Energy: 1.6341632932312005
Energy: 2.247075433769173
Energy: 1.584599581448612
Energy: 1.5744546023530894
Energy: 1.584599581448612
Energy: 1.9088086752554854
Energy: 1.5675280430524092
Energy: 1.574025594365605
Energy: 1.5675280430524092

minimum gb energy = 1.5630398510899162 eV
minimum distance =  2.28242567734307 Angstroms
sigma value = 9


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

Energy: 1.6493895150615494
Energy: 1.649641515477508
Energy: 1.7519027945848575
Energy: 1.6496415154784847
Energy: 1.7274095568818355
Energy: 1.6789063353811193
Energy: 1.683880645258808
Energy: 1.6789063353809197
Energy: 1.708007020666993
Energy: 1.7021064087534665
Energy: 1.7082814263698392
Energy: 1.7021064087536661
Energy: 1.6837105514217114
Energy: 1.6791803883481107
Energy: 1.7022481636242113
Energy: 1.6791803883479108
Energy: 1.7087877984958024
Energy: 1.679256758399726
Energy: 1.708041076779345
Energy: 1.6792567583999034
Energy: 2.611765183350342
Energy: 1.679099931390618
Energy: 1.6836248976039772
Energy: 1.6790999313907955
Energy: 1.7022851959380523
Energy: 1.6794946710736562
Energy: 1.708870423836362
Energy: 1.6794946710738559
Energy: 1.701678558277199
Energy: 1.6791266466210617
Energy: 2.447347390678354
Energy: 1.6791266466214387
Energy: 1.8204413389334329
Energy: 1.6788279635957406
Energy: 1.6490635921351917
Energy: 1.6788279635957406
Energy: 1.820496144421365
Energy: 1.6490648780334627
Energy: 1.6491941464295807
Energy: 1.6490648780334627
Energy: 1.7019231273620823
Energy: 1.7210368859972336
Energy: 2.4472399674216803
Energy: 1.7210368859970335
Energy: 1.708366714634971
Energy: 1.6500872788905794
Energy: 1.7081721431989478
Energy: 1.6500872788903798
Energy: 1.8204018691167438
Energy: 1.6784678143827423
Energy: 1.6835138775543275
Energy: 1.6784678143827423
Energy: 1.7080728014355404
Energy: 1.7134938295805193
Energy: 1.7080381259650201
Energy: 1.7134938295766127
Energy: 1.6835166717991126
Energy: 1.6784627403413264
Energy: 1.8204018691175208
Energy: 1.6784627403415264
Energy: 1.7081245674563659
Energy: 1.6494684380497315
Energy: 1.7083747509839808
Energy: 1.6494684380501312
Energy: 2.447188177659743
Energy: 1.7209942114481864
Energy: 1.7019496426046652
Energy: 1.720994211448586
Energy: 1.649179779911285
Energy: 1.649101780747323
Energy: 1.8204961444192118
Energy: 1.649101780747323
Energy: 1.6490783277551355
Energy: 1.6787772028271304
Energy: 1.8204413389414458
Energy: 1.67877720282733
Energy: 2.447350231828423
Energy: 1.6791293707335093
Energy: 1.701810192119948
Energy: 1.6791293707333095
Energy: 1.7089035920050875
Energy: 1.6794814881547284
Energy: 1.7024152990452208
Energy: 1.6794814881545288

minimum gb energy = 1.6490635921351917 eV
minimum distance =  2.19451262297999 Angstroms
sigma value = 25


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

Energy: 1.8350266216758324
Energy: 1.9201061603293308
Energy: 1.8919716947962375
Energy: 1.9201061603293308
Energy: 2.324173629915737
Energy: 1.8027008564580642
Energy: 1.8055212565033112
Energy: 1.802700856458311
Energy: 1.9092341224326674
Energy: 1.843389555642129
Energy: 1.80448375326944
Energy: 1.8433895556425957
Energy: 1.7927316021813953
Energy: 1.831647209020132
Energy: 1.8050896682347348
Energy: 1.831647209020132
Energy: 1.9041004498409582
Energy: 1.8505907312403427
Energy: 2.2905489351202477
Energy: 1.8505907312403427
Energy: 2.3420765302993343
Energy: 1.803090154837195
Energy: 1.8215750872797356
Energy: 1.803090154837195
Energy: 1.9242914290371425
Energy: 1.8315885438511066
Energy: 1.8214786309495834
Energy: 1.8315885438511066
Energy: 1.90380102754322
Energy: 1.9378997195057808
Energy: 2.2905561380518398
Energy: 1.9378997195057808
Energy: 1.8825153038383662
Energy: 1.803231780444552
Energy: 1.8215827405051157
Energy: 1.8032317804443048
Energy: 1.9092577558821175
Energy: 1.803127489125741
Energy: 1.822453505856204
Energy: 1.803127489125741
Energy: 1.8349569835928836
Energy: 1.8317102948699426
Energy: 2.3183596414975565
Energy: 1.8317102948694486
Energy: 1.8923165593876692
Energy: 1.8029729545073079
Energy: 1.8469063416491998
Energy: 1.8029729545075548
Energy: 2.2758104565628194
Energy: 1.8444999887940432
Energy: 1.844775391082174
Energy: 1.8444999887942901
Energy: 2.3410351653030523
Energy: 1.8026133922036016
Energy: 1.9458816056894341
Energy: 1.8026133922036016
Energy: 2.340244464964004
Energy: 1.802594290887932
Energy: 1.9458560387600963
Energy: 1.802594290887932
Energy: 2.305421481429427
Energy: 1.8314281385248907
Energy: 1.8428840202743673
Energy: 1.8314281385246713
Energy: 1.904644248547398
Energy: 1.8029557517941328
Energy: 1.8046872128239004
Energy: 1.8029557517946269

minimum gb energy = 1.7927316021813953 eV
minimum distance =  2.16102633001927 Angstroms
sigma value = 17


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

Energy: 2.390968759797726
Energy: 1.8846792658455072
Energy: 1.9483008771698855
Energy: 1.8846792658441391
Energy: 2.1840081481441507
Energy: 1.8583663244671742
Energy: 1.9138742729422473
Energy: 1.8583663244671742
Energy: 1.99502010022703
Energy: 1.8739242144502783
Energy: 1.8626046972409451
Energy: 1.87392421444891
Energy: 1.8599452590133676
Energy: 1.8408280997382511
Energy: 1.9383460623586801
Energy: 1.8408280997382511
Energy: 1.9090378617252861
Energy: 1.8670580129277108
Energy: 2.1756290948271535
Energy: 1.8670580129277108
Energy: 2.2437213825294813
Energy: 1.851342085147464
Energy: 1.8997814403195261
Energy: 1.851342085147464
Energy: 1.93463318793945
Energy: 1.840825966465859
Energy: 2.1758552316801585
Energy: 1.840825966465859
Energy: 1.8787422195570362
Energy: 1.8524870627999854
Energy: 2.1882436812606025
Energy: 1.8524870627999854
Energy: 1.8797369469814698
Energy: 1.85694296881991
Energy: 1.8512564297360155
Energy: 1.856942968818542
Energy: 2.1870995002536153
Energy: 1.8735468864856166
Energy: 1.9289224425400655
Energy: 1.8735468864856166
Energy: 1.8978036289468518
Energy: 1.8513186294727029
Energy: 2.182845135933048
Energy: 1.8513186294727029
Energy: 1.9087981199045556
Energy: 1.856765072203512
Energy: 1.9132356107357635
Energy: 1.856765072203512
Energy: 2.18703636256561
Energy: 1.904186744895579
Energy: 1.927537810272012
Energy: 1.904186744895579
Energy: 1.909510568937928
Energy: 1.8518476903609968
Energy: 1.9361362668217132
Energy: 1.8518476903609968
Energy: 1.8986187211896959
Energy: 1.8572617039609998
Energy: 2.1962062705632053
Energy: 1.8572617039609998
Energy: 2.1674377599657038
Energy: 1.8572548021667616
Energy: 1.8852830538069913
Energy: 1.8572548021667616
Energy: 1.8788468939544236
Energy: 1.8567251227656374
Energy: 1.928594091767686
Energy: 1.8567251227656374
Energy: 1.900316388541725
Energy: 1.916069721622897
Energy: 2.153170158645344
Energy: 1.916069721622897
Energy: 1.9611251490282078
Energy: 1.8513345243213584
Energy: 2.1805142970645015
Energy: 1.8513345243213584
Energy: 2.2094416087537843
Energy: 1.8515024393650137
Energy: 2.167608420193906
Energy: 1.8515024393650137
Energy: 1.9035312984451436
Energy: 1.8799050510741766
Energy: 2.140370415197462
Energy: 1.8799050510728088
Energy: 1.858868505019993
Energy: 1.8567105379714983
Energy: 1.9038280235234597
Energy: 1.8567105379714983
Energy: 2.1584543655153987
Energy: 1.870840998113171
Energy: 1.8997657352574313
Energy: 1.870840998113171
Energy: 2.2022135843745367
Energy: 1.8403570710354522
Energy: 2.0037973167471406
Energy: 1.8403570710368204
Energy: 2.2007236538408987
Energy: 1.8403705086961875
Energy: 2.003847562701419
Energy: 1.8403705086948192
Energy: 2.134301529610971
Energy: 1.8802774556820832
Energy: 1.9378200798664031
Energy: 1.880277455677979
Energy: 1.89211376687285
Energy: 1.8568351659982647
Energy: 1.9004119440069998
Energy: 1.8568351659982647
Energy: 1.8590651873676287
Energy: 1.853408583666813
Energy: 2.1842776320917174
Energy: 1.853408583666813
Energy: 1.9951250953783575
Energy: 1.8516463644138066
Energy: 2.167647751717912
Energy: 1.8516463644151746
Energy: 1.942714045433219
Energy: 1.851060328374215
Energy: 1.8981538976539323
Energy: 1.851060328374215

minimum gb energy = 1.8403570710354522 eV
minimum distance =  2.13842927259595 Angstroms
sigma value = 53


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

Energy: 1.8837569563775904
Energy: 1.7725670610881847
Energy: 1.9914563527591693
Energy: 1.7725670610881847
Energy: 1.9131190889679817
Energy: 1.7712554911756697
Energy: 1.904927490319778
Energy: 1.7712554911756697
Energy: 1.9055047235589389
Energy: 1.8611957135770956
Energy: 1.9134192877105456
Energy: 1.8611957135770956
Energy: 1.9134014930221126
Energy: 1.8612316625179357
Energy: 1.9054918434924994
Energy: 1.8612316625182581
Energy: 1.904940796080503
Energy: 1.7712410441010886
Energy: 1.9130872341989398
Energy: 1.771241044100802
Energy: 3.2169677611463956
Energy: 1.7725670610881847
Energy: 1.8837569563772685
Energy: 1.7725670610881847
Energy: 1.904927490319778
Energy: 1.7712554911756697
Energy: 1.913119088967373
Energy: 1.7712554911759917
Energy: 1.9134192877102234
Energy: 1.8611957135770956
Energy: 1.9055047235583302
Energy: 1.8611957135770956
Energy: 1.905491843323428
Energy: 1.8612316625182581
Energy: 1.9134014930224346
Energy: 1.86123166251858
Energy: 1.9130872341995482
Energy: 1.771241044100802
Energy: 1.9049407960802163
Energy: 1.7712410441010886
Energy: 1.8837569563775904
Energy: 1.772567061088471
Energy: 1.9914564189432375
Energy: 1.7725670610881847
Energy: 1.913119088967373
Energy: 1.7712554911759917
Energy: 1.9049274903204223
Energy: 1.7712554911759917
Energy: 1.905504723528732
Energy: 1.861195713577418
Energy: 1.9134192877105456
Energy: 1.8611957135770956

minimum gb energy = 1.771241044100802 eV
minimum distance =  2.22387722816821 Angstroms
sigma value = 9


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

Energy: 2.117827094065812
Energy: 1.97846668706908
Energy: 2.1152803778728666
Energy: 1.97846668706908
Energy: 2.4543341989058094
Energy: 1.9546017107326292
Energy: 2.043492322761518
Energy: 1.9546017107314635
Energy: 1.9984706455980827
Energy: 1.9196177332189446
Energy: 1.9654075874921562
Energy: 1.9196177332177788
Energy: 1.9636793726814543
Energy: 1.935446119542752
Energy: 2.087047906286651
Energy: 1.9354461195439177
Energy: 1.9940220544964975
Energy: 1.9164157181103152
Energy: 2.4468153113789315
Energy: 1.9164157181103152
Energy: 2.2522210125898403
Energy: 1.929864272402324
Energy: 2.1099186405541133
Energy: 1.9298642724011583
Energy: 2.0682070388706193
Energy: 1.9529590144417794
Energy: 2.355977586055656
Energy: 1.952959014440614
Energy: 1.9566319153927971
Energy: 1.9097214595152947
Energy: 2.0277221209775504
Energy: 1.909721459514129
Energy: 2.0568250919737303
Energy: 1.9380868336826753
Energy: 1.9924327091335328
Energy: 1.9380868336826753
Energy: 2.1497703191818704
Energy: 1.9192483779041518
Energy: 2.014927892784698
Energy: 1.9192483779053175
Energy: 1.9789565819941057
Energy: 1.9229551077148102
Energy: 2.264990212673978
Energy: 1.9229551077148102
Energy: 2.2465682671329237
Energy: 1.950964395878917
Energy: 2.069004378324202
Energy: 1.950964395878917
Energy: 2.0802408875427765
Energy: 1.9038061654614158
Energy: 1.9868363567449545
Energy: 1.9038061654614158
Energy: 1.9941536103513466
Energy: 1.950830985504115
Energy: 2.1840751010897628
Energy: 1.950830985504115
Energy: 1.9971568235029
Energy: 1.9100936329096896
Energy: 1.990155779141167
Energy: 1.9100936329108553
Energy: 2.2665071658495433
Energy: 1.903991378627713
Energy: 1.988837733493689
Energy: 1.9039913786288787
Energy: 2.1497586762696295
Energy: 1.9049843135659055
Energy: 2.2511982543228735
Energy: 1.9049843135670712
Energy: 1.975924806903128
Energy: 1.9235976575632598
Energy: 2.0811237978699615
Energy: 1.9235976575644256
Energy: 2.245270196583888
Energy: 1.9397506245449332
Energy: 2.03343032273864
Energy: 1.9397506245449332
Energy: 2.0005325224816373
Energy: 1.905259660163675
Energy: 1.9948980949506008
Energy: 1.905259660163675
Energy: 1.9576828600333829
Energy: 1.9104685230221825
Energy: 2.2629613093005405
Energy: 1.9104685230210168
Energy: 2.1906495977698848
Energy: 1.9169923346985098
Energy: 2.1098573694939495
Energy: 1.9169923346996758
Energy: 2.05702990834283
Energy: 1.9327111806409583
Energy: 2.1130236060830176
Energy: 1.9327111806409583
Energy: 2.0367371497386295
Energy: 1.9480890070315704
Energy: 2.2509225951516902
Energy: 1.9480890070339016
Energy: 1.9650858010376588
Energy: 1.9108150284606122
Energy: 1.97660789190617
Energy: 1.9108150284617778
Energy: 2.2246356472912536
Energy: 1.927677424949928
Energy: 1.9768471135473384
Energy: 1.9276774249510937
Energy: 2.446034955602319
Energy: 1.925715734375522
Energy: 2.1881787862782933
Energy: 1.925715734375522
Energy: 2.1144927309215906
Energy: 1.925921574006035
Energy: 2.187963154175853
Energy: 1.925921574006035
Energy: 2.2627047186301796
Energy: 1.927004816937886
Energy: 2.0179801670863102
Energy: 1.9270048169390517
Energy: 1.9656280160245325
Energy: 1.9100942413063386
Energy: 1.9655122833656729
Energy: 1.9100942413075042
Energy: 2.021396360512584
Energy: 1.9489847646366423
Energy: 2.2534945330866494
Energy: 1.9489847646354763
Energy: 2.0575193841949613
Energy: 1.9168439208620662
Energy: 2.109349384247107
Energy: 1.9168439208620662
Energy: 2.2555754996094852
Energy: 1.9169949130492103
Energy: 2.132857428171366
Energy: 1.9169949130515418
Energy: 1.9975892381287779
Energy: 1.9105663617496924
Energy: 2.262841213716477
Energy: 1.9105663617496924
Energy: 1.9781311796671324
Energy: 1.9045165709642025
Energy: 1.9779251814582255
Energy: 1.9045165709642025

minimum gb energy = 1.9038061654614158 eV
minimum distance =  2.13681836444117 Angstroms
sigma value = 73


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

Energy: 2.1811977953720594
Energy: 1.9378521461286673
Energy: 2.1394680728874014
Energy: 1.9378521461286673
Energy: 2.1734767941624744
Energy: 1.9765128001568701
Energy: 2.023958825576989
Energy: 1.9765128001568701
Energy: 2.0403153345525538
Energy: 1.93187696076724
Energy: 1.9556837980477306
Energy: 1.93187696076724
Energy: 1.9865583151400796
Energy: 1.8979219154465505
Energy: 2.0232797393705915
Energy: 1.8979219154465505
Energy: 2.0723016243427455
Energy: 1.8986006342753101
Energy: 2.2080775067682565
Energy: 1.8986006342753101
Energy: 2.3650501220075895
Energy: 1.924315183188192
Energy: 1.9677344103997396
Energy: 1.924315183188192
Energy: 2.0284654397427304
Energy: 1.9926689135302296
Energy: 2.2274840265501066
Energy: 1.9926689135302296
Energy: 1.978064467638542
Energy: 1.8979883305412286
Energy: 2.101233996205603
Energy: 1.8979883305412286
Energy: 2.248476189349448
Energy: 1.9269898464228785
Energy: 2.0232074932687047
Energy: 1.926989846424728
Energy: 1.9876963435538602
Energy: 1.9272985269202092
Energy: 2.0229763350826273
Energy: 1.9272985269202092
Energy: 1.9885511033256604
Energy: 1.8982991730611423
Energy: 2.3779779470855127
Energy: 1.8982991730611423
Energy: 2.247489845554024
Energy: 1.8977339778563609
Energy: 2.2078187520516286
Energy: 1.8977339778563609
Energy: 2.101020703998119
Energy: 1.9232247235895337
Energy: 1.9673263695957774
Energy: 1.9232247235895337
Energy: 2.0413729921401353
Energy: 1.9950197961298513
Energy: 2.328738953022982
Energy: 1.995019796128002
Energy: 2.0057017837750357
Energy: 1.8984015593487027
Energy: 2.023354715525582
Energy: 1.8984015593487027
Energy: 2.074324124760791
Energy: 1.9279763505487275
Energy: 1.956186774874524
Energy: 1.9279763505487275
Energy: 2.1730813611556616
Energy: 1.9124034205387932
Energy: 2.255776994726518
Energy: 1.9124034205387932
Energy: 2.173270708451132
Energy: 1.9138299914997905
Energy: 2.255830075288123
Energy: 1.9138299914997905
Energy: 2.29741292254991
Energy: 1.927849453232065
Energy: 2.0237445841336266
Energy: 1.927849453232065
Energy: 1.9860831270890649
Energy: 1.8997705144517947
Energy: 1.9559241991432523
Energy: 1.8997705144517947
Energy: 2.041295558777861
Energy: 1.9842752646783064
Energy: 2.3488974023668074
Energy: 1.9842752646783064
Energy: 2.1010560933419877
Energy: 1.8992246890764
Energy: 1.9673364575649297
Energy: 1.8992246890764

minimum gb energy = 1.8977339778563609 eV
minimum distance =  2.14310971108653 Angstroms
sigma value = 7


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

Energy: 2.255546515709641
Energy: 1.931260304496326
Energy: 2.5239362594189507
Energy: 1.931260304496326
Energy: 2.293232491885099
Energy: 1.9929399986695937
Energy: 2.0002825695444253
Energy: 1.9929399986695937
Energy: 2.0217489641714934
Energy: 1.9163171408393762
Energy: 1.9972549783434008
Energy: 1.9163171408393762
Energy: 2.002701966548467
Energy: 1.8989503115018673
Energy: 2.0225652193860864
Energy: 1.8989503115018673
Energy: 2.0719228960948963
Energy: 1.9164729583344269
Energy: 1.9550443667577984
Energy: 1.9164729583331193
Energy: 2.4550023850912415
Energy: 1.8985663586848995
Energy: 1.9585859207707694
Energy: 1.8985663586848995
Energy: 2.011660134102033
Energy: 1.980478182920676
Energy: 2.300663371026702
Energy: 1.980478182920676
Energy: 1.9586654765613376
Energy: 1.898662741879057
Energy: 2.10342252202146
Energy: 1.898662741879057
Energy: 2.3007609830645963
Energy: 1.916212716444884
Energy: 2.0464165486282204
Energy: 1.916212716446192
Energy: 2.004104994726273
Energy: 1.8994144634003964
Energy: 2.0026618055465306
Energy: 1.8994144634003964
Energy: 2.005483702077903
Energy: 1.9165348224118446
Energy: 2.0786211999681004
Energy: 1.916534822410537
Energy: 2.3184366479966227
Energy: 1.8991446765661444
Energy: 2.243734335907248
Energy: 1.8991446765661444
Energy: 2.3138431207543966
Energy: 1.8992215319187857
Energy: 2.2441215952873192
Energy: 1.8992215319200936
Energy: 2.0041280541886675
Energy: 1.917779673758278
Energy: 2.3564560002457693
Energy: 1.9177796737569703
Energy: 2.005390246653886
Energy: 1.8993990356540584
Energy: 1.9986824090634228
Energy: 1.8993990356540584
Energy: 2.297846967570733
Energy: 1.998724278945509
Energy: 2.0392496789013768
Energy: 1.998724278945509
Energy: 1.9548342238325895
Energy: 1.8990151517622484
Energy: 2.1047447912720902
Energy: 1.8990151517635565
Energy: 1.955569515615048
Energy: 1.915510655096494
Energy: 2.299669778885087
Energy: 1.915510655096494
Energy: 2.453372289175908
Energy: 1.8992755978848537
Energy: 1.9555116518085196
Energy: 1.8992755978835458
Energy: 2.1045665474018107
Energy: 1.9158503551875818
Energy: 1.9553060005204252
Energy: 1.9158503551875818
Energy: 1.9999487476615645
Energy: 1.9836815538740522
Energy: 2.0012893499672946
Energy: 1.9836815538740522
Energy: 2.001667285792452
Energy: 1.9154528744386008
Energy: 2.004971034434838
Energy: 1.9154528744399084
Energy: 2.2928589214597728
Energy: 1.9181355902606971
Energy: 1.9998955531906253
Energy: 1.9181355902606971
Energy: 2.2473022636619993
Energy: 1.9300162971457797
Energy: 2.31411780931399
Energy: 1.9300162971457797
Energy: 2.270331554850854
Energy: 1.8995709284465996
Energy: 1.999136699290632
Energy: 1.8995709284465996
Energy: 2.1050503702862975
Energy: 1.9152453372327776
Energy: 2.004911239312154
Energy: 1.9152453372327776
Energy: 1.9980878042112216
Energy: 1.8999627180557779
Energy: 2.0041240311793316
Energy: 1.8999627180557779
Energy: 2.1041528933519333
Energy: 1.915459574508158
Energy: 2.309656638657123
Energy: 1.915459574508158
Energy: 2.10301884784365
Energy: 1.9002652898739965
Energy: 1.95473591037455
Energy: 1.9002652898739965
Energy: 2.3098036569777447
Energy: 2.0404596982245273
Energy: 2.309902550146747
Energy: 2.0404596982232195
Energy: 1.9547426352557755
Energy: 1.900228010017626
Energy: 2.103018847839727
Energy: 1.900228010017626

minimum gb energy = 1.8985663586848995 eV
minimum distance =  2.16886972104269 Angstroms
sigma value = 29


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

Energy: 1.8484313414250502
Energy: 1.815206578885678
Energy: 2.351805686342844
Energy: 1.8152065788852223
Energy: 2.307579279402119
Energy: 1.8100686970696371
Energy: 1.93013453028241
Energy: 1.8100686970700925
Energy: 2.352461960608479
Energy: 1.8069321336891335
Energy: 1.8684493181113138
Energy: 1.8069321336895892
Energy: 2.2705572317990894
Energy: 1.8068768187605069
Energy: 1.9347725524784964
Energy: 1.8068768187609625
Energy: 2.2708380666371935
Energy: 1.8144620559910738
Energy: 1.9289455464907648
Energy: 1.814462055990188
Energy: 2.069300877517019
Energy: 1.8066362077368938
Energy: 1.8968878481440783
Energy: 1.8066362077368938
Energy: 2.3386464859257936
Energy: 1.8073702504750215
Energy: 2.129770217292456
Energy: 1.8073702504745663
Energy: 1.8472443976607495
Energy: 1.8066893574454146
Energy: 2.3971824592976967
Energy: 1.8066893574454146
Energy: 2.4749570992915526
Energy: 1.8850616468014594
Energy: 1.9394323900807702
Energy: 1.885061646801915

minimum gb energy = 1.8066362077368938 eV
minimum distance =  2.14950853046725 Angstroms
sigma value = 5


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

Energy: 2.164438444531
Energy: 1.815935494604872
Energy: 2.2634427505417984
Energy: 1.815935494603637
Energy: 2.4287301633803997
Energy: 1.8281439202121383
Energy: 2.0697617987681878
Energy: 1.8281439202133736
Energy: 1.9117494587203032
Energy: 1.7525459858079528
Energy: 2.0058885525434964
Energy: 1.752545985809188
Energy: 1.9116564452791767
Energy: 1.794310354001044
Energy: 2.1417551980824916
Energy: 1.794310354001044
Energy: 1.8634398365337388
Energy: 1.7558032187868056
Energy: 1.9298423657798323
Energy: 1.7558032187868056
Energy: 2.0595654897643487
Energy: 1.7588342396002374
Energy: 1.9296962769288273
Energy: 1.758834239601473
Energy: 2.115931433351644
Energy: 1.76062482308062
Energy: 2.0011221138680853
Energy: 1.76062482308062
Energy: 2.115542906552597
Energy: 1.7582220316159354
Energy: 2.10161085694575
Energy: 1.7582220316159354
Energy: 2.242159668624239
Energy: 1.7975843114381589
Energy: 2.124145834806579
Energy: 1.7975843114381589
Energy: 2.1427302649508486
Energy: 1.795748123600111
Energy: 2.1236952907049202
Energy: 1.795748123600111
Energy: 2.016396987745236
Energy: 1.7520044792458498
Energy: 2.097534234178099
Energy: 1.7520044792470852
Energy: 2.004402977318669
Energy: 1.7501443671671837
Energy: 1.881076273669532
Energy: 1.7501443671671837
Energy: 2.144134740246686
Energy: 1.8179297517976152
Energy: 1.8823565210587976
Energy: 1.8179297517976152
Energy: 1.9257650298029487
Energy: 1.752517298856253
Energy: 1.8805160485396815
Energy: 1.752517298856253
Energy: 1.958754488916365
Energy: 1.9471037505427862
Energy: 2.263049750110867
Energy: 1.9471037505440214
Energy: 2.1420359672723315
Energy: 1.7934790024555762
Energy: 2.123324407150124
Energy: 1.7934790024568115
Energy: 2.2222126843065277
Energy: 1.794566561710706
Energy: 2.277849179196532
Energy: 1.794566561710706
Energy: 2.0064311280164433
Energy: 1.757182698569884
Energy: 2.102764967184149
Energy: 1.757182698569884
Energy: 2.1155444942678296
Energy: 1.7865571234935875
Energy: 1.8825215186281623
Energy: 1.7865571234923525
Energy: 1.9532138745418697
Energy: 1.7520039195270434
Energy: 1.930094501996115
Energy: 1.7520039195270434
Energy: 1.9521409960478304
Energy: 1.794037122151164
Energy: 2.036944303336972
Energy: 1.7940371221523999
Energy: 1.97954536109859
Energy: 1.75456958428306
Energy: 1.9972037574629478
Energy: 1.7545695842842954
Energy: 1.912604194040924
Energy: 1.7496538975784848
Energy: 1.9972023883404681
Energy: 1.74965389757972
Energy: 2.269341831874665
Energy: 1.8183197584894768
Energy: 2.312812625861368
Energy: 1.8183197584882416
Energy: 2.26927004655655
Energy: 1.8157879811694324
Energy: 2.3149718226842153
Energy: 1.8157879811694324
Energy: 2.1150716850454248
Energy: 1.7569218024399846
Energy: 1.9978255959739715
Energy: 1.7569218024399846
Energy: 1.9146110232871238
Energy: 1.7498126412588386
Energy: 1.9970758527024253
Energy: 1.7498126412576032
Energy: 1.950620588139768
Energy: 1.797396089302795
Energy: 2.00477927685321
Energy: 1.797396089302795
Energy: 1.9522215128302898
Energy: 1.7488571789494685
Energy: 1.9292575864826813
Energy: 1.7488571789494685
Energy: 2.2110664707774514
Energy: 1.9300776231123302
Energy: 1.9682528281679976
Energy: 1.9300776231123302
Energy: 2.115635330993082
Energy: 1.7553468524826914
Energy: 2.001411479874828
Energy: 1.7553468524839266
Energy: 2.1296530523546995
Energy: 1.8138223200888126
Energy: 2.2867914594013143
Energy: 1.813822320087577
Energy: 2.237959724004982
Energy: 1.7934871693805357
Energy: 2.1232849488997045
Energy: 1.7934871693780647

minimum gb energy = 1.7488571789494685 eV
minimum distance =  2.11019403019355 Angstroms
sigma value = 1


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

Energy: 2.0019312399841596
Energy: 1.673496206625864
Energy: 2.047682571123193
Energy: 1.673496206625864
Energy: 1.9201775461592205
Energy: 1.7867326130701735
Energy: 1.8089117346505532
Energy: 1.7867326130701735
Energy: 1.981785292894344
Energy: 1.6556584159834549
Energy: 2.028289870132791
Energy: 1.6556584159834549
Energy: 1.9551564471745986
Energy: 1.653864396552723
Energy: 1.9376479200930132
Energy: 1.653864396552723
Energy: 1.8084582755992191
Energy: 1.673576741773764
Energy: 1.808656613331914
Energy: 1.673576741773764
Energy: 1.8096061324858763
Energy: 1.7651856068690657
Energy: 1.8086387539460844
Energy: 1.7651856068690657
Energy: 2.0057733658734747
Energy: 1.655341655665138
Energy: 1.9609385113040825
Energy: 1.655341655665138
Energy: 2.005634856528557
Energy: 1.6552342107679257
Energy: 1.9814251587457914
Energy: 1.6552342107679257
Energy: 2.2873597017692076
Energy: 1.6729599678281644
Energy: 1.981691421388916
Energy: 1.672959967826456
Energy: 2.287359701774332
Energy: 1.6729611627706145
Energy: 1.9818322400732415
Energy: 1.6729611627706145
Energy: 2.0056148304844528
Energy: 1.65522315785398
Energy: 1.9814251587560396
Energy: 1.65522315785398
Energy: 2.005787178570152
Energy: 1.655361283316534
Energy: 1.9609385113023745
Energy: 1.655361283316534
Energy: 1.8097204352806702
Energy: 1.765190735837381
Energy: 1.8085799419508473
Energy: 1.7651907358390893
Energy: 1.808453014296012
Energy: 1.6735740641533612
Energy: 1.8087257295999966
Energy: 1.6735740641533612
Energy: 1.9553059198580245
Energy: 1.6538548148692147
Energy: 1.9375281708770953
Energy: 1.6538548148692147
Energy: 1.9817852929097164
Energy: 1.6556589200173304
Energy: 2.028322687511075
Energy: 1.6556589200173304
Energy: 1.9201649314064477
Energy: 1.7867576497288176
Energy: 1.808865744604854
Energy: 1.7867576497271094
Energy: 2.001931239980743
Energy: 1.673496206625864
Energy: 2.0476876171659866
Energy: 1.673496206625864
Energy: 1.9201775461592205
Energy: 1.786732613068465
Energy: 1.8089117346505532
Energy: 1.786732613068465
Energy: 1.981785292894344
Energy: 1.6556584159817467
Energy: 2.028289870132791
Energy: 1.6556584159817467
Energy: 1.955156447179723
Energy: 1.653864396552723
Energy: 1.9376479200930132
Energy: 1.6538643965510154
Energy: 1.808458275600927
Energy: 1.673576741773764
Energy: 1.808656613330206
Energy: 1.673576741773764
Energy: 1.8096061324875845
Energy: 1.7651856068690657
Energy: 1.8086387539460844
Energy: 1.7651856068690657
Energy: 2.0057733658734747
Energy: 1.6553416556634302
Energy: 1.9609385113057909
Energy: 1.6553416556634302

minimum gb energy = 1.6538548148692147 eV
minimum distance =  2.15719114336913 Angstroms
sigma value = 17


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

Energy: 2.2081992328694264
Energy: 1.7344046456126192
Energy: 2.262912388879756
Energy: 1.7344046456126192
Energy: 2.2764945689227676
Energy: 1.8900832312754876
Energy: 2.0540078322099706
Energy: 1.8900832312754876
Energy: 1.8378779439283786
Energy: 1.6622724883469369
Energy: 1.9790579456481106
Energy: 1.6622724883469369
Energy: 1.8589588495784553
Energy: 1.729154898381064
Energy: 2.1638090816777016
Energy: 1.729154898381064
Energy: 1.910331582372783
Energy: 1.6642846820903625
Energy: 1.9208021271525957
Energy: 1.6642846820903625
Energy: 1.9813854485920597
Energy: 1.6967029148383392
Energy: 1.9232832185585826
Energy: 1.696702914839395
Energy: 1.9627137355969586
Energy: 1.6606066408550328
Energy: 1.8177209045371372
Energy: 1.660606640853977
Energy: 1.964665425228894
Energy: 1.6621466062790846
Energy: 1.8818206623574594
Energy: 1.6621466062790846
Energy: 2.0758603884325257
Energy: 1.7149686562782827
Energy: 2.1680759878751403
Energy: 1.7149686562782827
Energy: 2.139940355839459
Energy: 1.7149747905228307
Energy: 2.165509850253043
Energy: 1.7149747905228307
Energy: 2.0457824309166104
Energy: 1.7012190581244315
Energy: 2.005820891931659
Energy: 1.7012190581254873
Energy: 2.0449389566223948
Energy: 1.7015064039386885
Energy: 1.9479985814427132
Energy: 1.7015064039376329
Energy: 1.9397938344352452
Energy: 1.6589840215452738
Energy: 1.9673266432425438
Energy: 1.658984021544218
Energy: 1.8583631758322192
Energy: 1.6641907181507278
Energy: 1.9690148351552623
Energy: 1.6641907181517839
Energy: 1.867157753661117
Energy: 1.6646669252095532
Energy: 1.968194162707127
Energy: 1.664666925208497
Energy: 1.858430438787723
Energy: 1.660962035068656
Energy: 1.904313642142943
Energy: 1.660962035068656
Energy: 2.1657862787051196
Energy: 1.723990003845713
Energy: 1.8197505223730093
Energy: 1.7239900038446574
Energy: 2.0449925090218244
Energy: 1.6758029414418814
Energy: 2.0080788150580586
Energy: 1.6758029414439926
Energy: 2.088031702213278
Energy: 1.7559616415949473
Energy: 2.072623665661998
Energy: 1.7559616415938917
Energy: 2.076529819933516
Energy: 1.7100135989411185
Energy: 2.060180830321689
Energy: 1.7100135989411185
Energy: 1.9379997403959606
Energy: 1.8096363582128785
Energy: 2.124226204072818
Energy: 1.8096363582128785
Energy: 1.9625885016771507
Energy: 1.662628348815475
Energy: 1.8184720940164039
Energy: 1.662628348815475
Energy: 2.0454520793377338
Energy: 1.6936100963795122
Energy: 1.9566775805355159
Energy: 1.6936100963784564
Energy: 1.9054864667966567
Energy: 1.6588230155414747
Energy: 1.8466642900238497
Energy: 1.6588230155404184
Energy: 1.904170577172676
Energy: 1.6635453946483392
Energy: 2.032548570104666
Energy: 1.6635453946483392
Energy: 1.837968984373159
Energy: 1.6624495399350439
Energy: 1.967784666580316
Energy: 1.6624495399350439
Energy: 2.015902275863094
Energy: 1.6634699704479876
Energy: 2.040523102298833
Energy: 1.6634699704479876
Energy: 2.1848644272478404
Energy: 1.7457270402710423
Energy: 2.2311341610706164
Energy: 1.7457270402699865
Energy: 2.1773039875079396
Energy: 1.7465313515580654
Energy: 2.2331478117769272
Energy: 1.746531351559121
Energy: 1.8400025029416007
Energy: 1.662454454467563
Energy: 1.9679121147221976
Energy: 1.662454454467563
Energy: 1.840183374057479
Energy: 1.6629172874033735
Energy: 2.0404706372292662
Energy: 1.6629172874033735
Energy: 1.9054371085885211
Energy: 1.663433384521966
Energy: 1.9189536254290276
Energy: 1.663433384521966
Energy: 1.9041506505806598
Energy: 1.6582947065401883
Energy: 1.846533963614114
Energy: 1.6582947065401883
Energy: 2.0519885002854372
Energy: 1.6574499068285005
Energy: 1.81831435815292
Energy: 1.6574499068285005
Energy: 1.9677577232298435
Energy: 1.661666726952949
Energy: 1.8817004000085547
Energy: 1.6616667269540046
Energy: 1.9346110696930108
Energy: 1.7288336087464218
Energy: 2.1670034700236878
Energy: 1.7288336087464218
Energy: 2.1285585510319627
Energy: 1.7098275456569776
Energy: 2.0597832215641545
Energy: 1.7098275456580332
Energy: 2.1590550850217842
Energy: 1.7571535601476818
Energy: 2.089735016028588
Energy: 1.7571535601466257

minimum gb energy = 1.6574499068285005 eV
minimum distance =  2.09698301484733 Angstroms
sigma value = 89


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

Energy: 2.077346992717007
Energy: 1.5655335315314332
Energy: 1.9350210873875076
Energy: 1.5655335315311507
Energy: 1.8970672930565116
Energy: 1.6216927247371251
Energy: 1.9109278658258224
Energy: 1.6216927247371251
Energy: 1.8311473042536883
Energy: 1.5697738436400694
Energy: 1.8365908417120043
Energy: 1.5697738436400694
Energy: 1.8440569510124643
Energy: 1.5519856760587434
Energy: 2.0466601060062026
Energy: 1.551985676058461
Energy: 1.8544584288171453
Energy: 1.5569834199727155
Energy: 1.7290716288670325
Energy: 1.5569834199727155
Energy: 1.8421087786729302
Energy: 1.650154416246393
Energy: 1.7293636223875701
Energy: 1.6501544162458281
Energy: 1.8425014795587975
Energy: 1.569774312813886
Energy: 1.7289871301858937
Energy: 1.569774312813886
Energy: 1.8423452557809594
Energy: 1.5522575726822234
Energy: 1.9983448644184063
Energy: 1.5522575726824743
Energy: 1.830930832006572
Energy: 1.5568620589283417
Energy: 1.82600609289026
Energy: 1.556862058928624
Energy: 1.9736700699682495
Energy: 1.5534508851620326
Energy: 1.8249896921867137
Energy: 1.5534508851617501
Energy: 2.021232517653589
Energy: 1.5693455655563318
Energy: 2.1404002913784352
Energy: 1.569345565556049
Energy: 2.0225653107026775
Energy: 1.5671792180150252
Energy: 2.1403219035014924
Energy: 1.5671792180158413
Energy: 1.8313550229596465
Energy: 1.5547647557234243
Energy: 1.825781253778933
Energy: 1.5547647557231417
Energy: 1.831270128965214
Energy: 1.5529287034490542
Energy: 1.8248750200595136
Energy: 1.5529287034485206
Energy: 1.842624816580202
Energy: 1.551841843947441
Energy: 1.991842951645454
Energy: 1.5518418439477235

minimum gb energy = 1.551841843947441 eV
minimum distance =  2.13949468458454 Angstroms
sigma value = 13


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

Energy: 1.911589477357058
Energy: 1.4954848054077106
Energy: 1.8927249163865765
Energy: 1.4954848054088685
Energy: 1.6560440840403845
Energy: 1.4982797379956398
Energy: 1.7978859263105154
Energy: 1.4982797379956398
Energy: 1.6995125985906563
Energy: 1.447365664679034
Energy: 1.8708884289835161
Energy: 1.447365664679034
Energy: 1.7279963874097792
Energy: 1.4655173556197914
Energy: 1.8469841842962889
Energy: 1.4655173556197914
Energy: 1.7255654174208768
Energy: 1.4409067174431007
Energy: 1.6528321857333053
Energy: 1.4409067174442587
Energy: 1.8589926957336327
Energy: 1.4421624130008488
Energy: 1.810123636762894
Energy: 1.4421624130008488
Energy: 1.7279831049723482
Energy: 1.4474839336447534
Energy: 1.7331735597070481
Energy: 1.4474839336447534
Energy: 1.727701837253797
Energy: 1.4899734837210226
Energy: 1.728088095105554
Energy: 1.48997348372218
Energy: 1.6521549082708962
Energy: 1.4411514244468047
Energy: 1.721346126703008
Energy: 1.4411514244468047
Energy: 1.7559662559439755
Energy: 1.4416620319865812
Energy: 1.8601331424016503
Energy: 1.441662031987739
Energy: 1.8523803337283755
Energy: 1.447622592039376
Energy: 1.6994612981904034
Energy: 1.447622592040534
Energy: 1.8481518812425874
Energy: 1.4487812964546418
Energy: 1.8584188556446606
Energy: 1.4487812964546418
Energy: 2.0018744549138994
Energy: 1.4991780098471206
Energy: 1.894170095674571
Energy: 1.4991780098459626
Energy: 1.7565122465191998
Energy: 1.4971063366792363
Energy: 2.0112999610677607
Energy: 1.4971063366780786
Energy: 1.8517759670216405
Energy: 1.4479221943814398
Energy: 1.6998092000940985
Energy: 1.4479221943814398
Energy: 1.8480801384521908
Energy: 1.4485051629389958
Energy: 1.6997135001764492
Energy: 1.448505162937838
Energy: 1.7873643876131067
Energy: 1.4413194635330122
Energy: 1.7214804826892198
Energy: 1.4413194635330122
Energy: 1.6529860989870144
Energy: 1.4416473069579812
Energy: 1.859977300844953
Energy: 1.4416473069579812
Energy: 1.7281052095558977
Energy: 1.4483626653170465
Energy: 1.7278246761308167
Energy: 1.4483626653170465
Energy: 1.727622864242369
Energy: 1.4483631471682887
Energy: 1.7281084939360831
Energy: 1.4483631471682887
Energy: 1.8599764440139628
Energy: 1.441650902944619
Energy: 1.6529303720195128
Energy: 1.441650902943461
Energy: 1.7214753680823311
Energy: 1.4413244581032465
Energy: 1.7873643876177376
Energy: 1.4413244581044042
Energy: 1.6997135001660293
Energy: 1.448506172912625
Energy: 1.848076232177237
Energy: 1.448506172912625
Energy: 1.6998092000952563
Energy: 1.4479159529942218
Energy: 1.852435783843357
Energy: 1.447915952993064
Energy: 2.0113076548250524
Energy: 1.4970858925739938
Energy: 1.7567075740122446
Energy: 1.4970858925739938
Energy: 1.894195889342606
Energy: 1.4991748180208024
Energy: 2.001874454910426
Energy: 1.4991748180208024
Energy: 1.859310447105627
Energy: 1.4487969871831667
Energy: 1.8481564658604788
Energy: 1.4487969871831667
Energy: 1.6994612982042967
Energy: 1.4476238080717834
Energy: 1.8523869879079278
Energy: 1.4476238080706259
Energy: 1.8601227369020834
Energy: 1.4416601936601274
Energy: 1.7559210373156586
Energy: 1.4416601936589697
Energy: 1.7213068688888509
Energy: 1.4411528425964213
Energy: 1.6521669629006799
Energy: 1.4411528425952636
Energy: 1.7280010565696737
Energy: 1.490091262655915
Energy: 1.7276968852085923
Energy: 1.4900912626547573
Energy: 1.732932442817913
Energy: 1.447478358861124
Energy: 1.727986666770894
Energy: 1.447478358861124
Energy: 1.8101527074369785
Energy: 1.441376961692559
Energy: 1.8589746099532196
Energy: 1.4413769616937169
Energy: 1.6527076173317206
Energy: 1.4409000962746477
Energy: 1.725563398525623
Energy: 1.4409000962746477
Energy: 1.8470656387972688
Energy: 1.465668678078634
Energy: 1.7280197105533692
Energy: 1.465668678078634

minimum gb energy = 1.4409000962746477 eV
minimum distance =  2.15583800420563 Angstroms
sigma value = 37


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

Energy: 1.9267381359998463
Energy: 1.423743433520907
Energy: 1.727164397022653
Energy: 1.4237434335211105
Energy: 1.6338708061080376
Energy: 1.4183636511543858
Energy: 1.815395606923786
Energy: 1.4183636511543858
Energy: 1.6169828307572798
Energy: 1.3486464463465824
Energy: 1.8834442897211192
Energy: 1.348646446346786
Energy: 1.7428770439048327
Energy: 1.37365398116114
Energy: 1.8155105348259897
Energy: 1.373653981160959
Energy: 1.7247509597457702
Energy: 1.3496851183478131
Energy: 1.6891650245864187
Energy: 1.3496851183478131
Energy: 1.8342799851111578
Energy: 1.3426936248450656
Energy: 1.7374503776699433
Energy: 1.3426936248450656
Energy: 1.6202519828330004
Energy: 1.3486086992939192
Energy: 1.6679526973722005
Energy: 1.348608699294327
Energy: 1.6197645002306031
Energy: 1.4005941915829423
Energy: 1.716155165409134
Energy: 1.4005941915833495
Energy: 1.6243889671146208
Energy: 1.3498934384482106
Energy: 1.716025161043366
Energy: 1.3498934384480068
Energy: 1.72612784638334
Energy: 1.3434388876576808
Energy: 1.7163334339648317
Energy: 1.3434388876572734
Energy: 1.7004598406274651
Energy: 1.3486435666063306
Energy: 1.6165785226624192
Energy: 1.3486435666057193
Energy: 1.7004794119583126
Energy: 1.3408714758914098
Energy: 1.6393895343165341
Energy: 1.3408714758917948
Energy: 1.6169419059185097
Energy: 1.3499861853004396
Energy: 1.8149973778955024
Energy: 1.3499861853004396
Energy: 1.633934823589646
Energy: 1.348524794028781
Energy: 1.8151573550928883
Energy: 1.3485247940293696
Energy: 1.8616222027691018
Energy: 1.4245808084313802
Energy: 1.6881507377787408
Energy: 1.4245808084311764
Energy: 1.8616120790517894
Energy: 1.4158346624421976
Energy: 1.6395107526518535
Energy: 1.4158346624423788
Energy: 1.6176756714852185
Energy: 1.3500792913410706
Energy: 1.8150216007904574
Energy: 1.350079291341478
Energy: 1.619424026592713
Energy: 1.3487274955041382
Energy: 1.8151127365260369
Energy: 1.3487274955039343
Energy: 1.7005181456430616
Energy: 1.3490995253385718
Energy: 1.688124354757348
Energy: 1.3490995253381644
Energy: 1.7003697860021112
Energy: 1.340956080322942
Energy: 1.6880748944788924
Energy: 1.340956080322942

minimum gb energy = 1.3408714758914098 eV
minimum distance =  2.15426355024594 Angstroms
sigma value = 25


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

Energy: 1.7950256309452803
Energy: 1.2681650778646123
Energy: 1.5809048307978364
Energy: 1.2681650778646123
Energy: 1.5497047578194272
Energy: 1.2824057436832164
Energy: 1.5219150276623221
Energy: 1.2824057436847365
Energy: 1.4486507293742672
Energy: 1.235748836728638
Energy: 1.7416287480922314
Energy: 1.235748836728638
Energy: 1.6462431742597408
Energy: 1.230005497440762
Energy: 1.5225448597430369
Energy: 1.230005497440762
Energy: 1.6347425652233598
Energy: 1.1980916232632568
Energy: 1.4930403989891166
Energy: 1.1980916232632568
Energy: 1.6797590450592736
Energy: 1.2081119314283404
Energy: 1.6041829187172396
Energy: 1.2081119314283404
Energy: 1.4599253469507263
Energy: 1.1984702530538744
Energy: 1.6130283621532555
Energy: 1.1984702530554299
Energy: 1.6089161546742408
Energy: 1.1942445871703053
Energy: 1.6841605187559856
Energy: 1.1942445871703053
Energy: 1.5238482693475834
Energy: 1.1981267078939069
Energy: 1.5217529681063873
Energy: 1.1981267078939069
Energy: 1.5953439826781608
Energy: 1.2216532882556879
Energy: 1.5205372274092894
Energy: 1.2216532882556879
Energy: 1.5153406095349853
Energy: 1.1985920062518822
Energy: 1.5309422915913666
Energy: 1.1985920062518822
Energy: 1.5951724349155039
Energy: 1.1940492143015817
Energy: 1.610563239960996
Energy: 1.1940492143015817
Energy: 1.4620993707682093
Energy: 1.1979779119580094
Energy: 1.5851276280758766
Energy: 1.1979779119580094
Energy: 1.5274878212653693
Energy: 1.1943211475203097
Energy: 1.6147527971997404
Energy: 1.1943211475203097
Energy: 1.6077734209118832
Energy: 1.198561358696819
Energy: 1.4950849542678115
Energy: 1.198561358696819
Energy: 1.6610907147616045
Energy: 1.1985985492886737
Energy: 1.5217851398420652
Energy: 1.1985985492886737
Energy: 1.4487803735927773
Energy: 1.235176963099769
Energy: 1.6829497007138485
Energy: 1.235176963099769
Energy: 1.4709899157810635
Energy: 1.2835291904863366
Energy: 1.661567177882041
Energy: 1.2835291904863366
Energy: 1.7376138521771065
Energy: 1.269418942000754
Energy: 1.4924914909890206
Energy: 1.269418942000754
Energy: 1.4882695639082852
Energy: 1.2693262202929072
Energy: 1.522014570564461
Energy: 1.2693262202929072
Energy: 1.4488043621225293
Energy: 1.2347514838454634
Energy: 1.6829700909159422
Energy: 1.2347514838439078
Energy: 1.5277336806821002
Energy: 1.2316058944113497
Energy: 1.6850838794464114
Energy: 1.2316058944113497
Energy: 1.6077920132032613
Energy: 1.197759241983183
Energy: 1.4924365023383457
Energy: 1.197759241983183
Energy: 1.660612896606148
Energy: 1.1983817231718505
Energy: 1.628991200531271
Energy: 1.1983817231718505
Energy: 1.459443097857812
Energy: 1.1970492728653015
Energy: 1.5851068082113167
Energy: 1.197049272866857
Energy: 1.5581343774436995
Energy: 1.193843235847113
Energy: 1.5851394493678557
Energy: 1.193843235847113

minimum gb energy = 1.193843235847113 eV
minimum distance =  2.17861986177171 Angstroms
sigma value = 41


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

Energy: 1.6894098258981212
Energy: 1.162554588001219
Energy: 1.4352573587520396
Energy: 1.162554588001219
Energy: 1.3974728894296236
Energy: 1.13007038554402
Energy: 1.5119111840078492
Energy: 1.13007038554402
Energy: 1.3259046662888772
Energy: 1.1216980279875108
Energy: 1.6283793485258122
Energy: 1.1216980279875108
Energy: 1.4534989587767204
Energy: 1.1403149687191982
Energy: 1.5120057443994255
Energy: 1.1403149687204734
Energy: 1.598979518415563
Energy: 1.1042306904135468
Energy: 1.3529461543468453
Energy: 1.1042306904135468
Energy: 1.454164971118707
Energy: 1.1033026737558278
Energy: 1.507052484762738
Energy: 1.1033026737558278
Energy: 1.399784564367117
Energy: 1.0831539987503203
Energy: 1.5221593109047011
Energy: 1.0831539987503203
Energy: 1.5185312378602025
Energy: 1.0995091834962087
Energy: 1.5256935143393016
Energy: 1.099509183497484
Energy: 1.5110295503996205
Energy: 1.083074022387309
Energy: 1.3788664079007498
Energy: 1.083074022387309
Energy: 1.529332977320702
Energy: 1.1147872230667921
Energy: 1.49750871503714
Energy: 1.1147872230667921
Energy: 1.430925325445913
Energy: 1.0831019833148618
Energy: 1.4399032344203018
Energy: 1.0831019833148618
Energy: 1.4684585306124658
Energy: 1.0960706590449107
Energy: 1.5108177450947227
Energy: 1.0960706590449107
Energy: 1.4456112716544811
Energy: 1.0830577204336624
Energy: 1.4257459362526101
Energy: 1.0830577204336624
Energy: 1.5312315065671829
Energy: 1.0808693101007978
Energy: 1.4934308476148188
Energy: 1.0808693101007978
Energy: 1.4819288984347532
Energy: 1.08306157805522
Energy: 1.3840464174287397
Energy: 1.083061578053945
Energy: 1.492547647257315
Energy: 1.080553114341397
Energy: 1.4560931351095134
Energy: 1.080553114341397
Energy: 1.3993391630166783
Energy: 1.0831247922056741
Energy: 1.4937837815526733
Energy: 1.0831247922056741
Energy: 1.4309986558240348
Energy: 1.0834083564199022
Energy: 1.5261300346470419
Energy: 1.0834083564186268
Energy: 1.536167490671492
Energy: 1.1045080114608623
Energy: 1.3546947984056796
Energy: 1.1045080114608623
Energy: 1.5185970800402153
Energy: 1.1307055959557237
Energy: 1.3823571800819905
Energy: 1.1307055959557237
Energy: 1.3219138372800836
Energy: 1.1222604373774843
Energy: 1.5120828950294185
Energy: 1.1222604373787595
Energy: 1.3977714955974208
Energy: 1.1626509720547027
Energy: 1.3906187533672407
Energy: 1.1626509720547027
Energy: 1.4995423219891806
Energy: 1.162719044731075
Energy: 1.3533853583266977
Energy: 1.162719044731075
Energy: 1.5001290248822001
Energy: 1.1621843512385124
Energy: 1.383563143549428
Energy: 1.1621843512385124
Energy: 1.3218471004500358
Energy: 1.1222921390821947
Energy: 1.5117196207270998
Energy: 1.1222921390821947
Energy: 1.4545561812688665
Energy: 1.123869395399427
Energy: 1.3905708938330057
Energy: 1.1238693954007022
Energy: 1.5360389379786559
Energy: 1.1046603609624053
Energy: 1.358912334556657
Energy: 1.1046603609624053
Energy: 1.5149013058174166
Energy: 1.1019545242304285
Energy: 1.4564148344485237
Energy: 1.1019545242291533
Energy: 1.4002763728902419
Energy: 1.0833622012104476
Energy: 1.493763473506768
Energy: 1.0833622012104476
Energy: 1.4988916918235633
Energy: 1.083048606681054
Energy: 1.5261316369819409
Energy: 1.083048606681054
Energy: 1.481920048481728
Energy: 1.0834626087222727
Energy: 1.379625848334705
Energy: 1.0834626087222727
Energy: 1.4870826862989521
Energy: 1.0802138289351466
Energy: 1.4591444376856375
Energy: 1.0802138289351466

minimum gb energy = 1.0802138289351466 eV
minimum distance =  2.17565572621493 Angstroms
sigma value = 15


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

Energy: 1.5611076498560965
Energy: 1.0652829824028702
Energy: 1.3188309643156348
Energy: 1.0652829824028702
Energy: 1.4000822231738892
Energy: 1.0831563071959567
Energy: 1.381212221654603
Energy: 1.0831563071948764
Energy: 1.223492733286668
Energy: 1.0454514460970887
Energy: 1.5242429970227298
Energy: 1.0454514460970887
Energy: 1.3872984732958153
Energy: 1.042692432436081
Energy: 1.3817512868715698
Energy: 1.042692432436081
Energy: 1.4943774834762342
Energy: 1.0202480012009256
Energy: 1.2452388941946004
Energy: 1.0202480012009256
Energy: 1.3919105256391466
Energy: 1.0291144552742053
Energy: 1.381696965566826
Energy: 1.0291144552742053
Energy: 1.2805145104851274
Energy: 1.0058949255291003
Energy: 1.4448713195543263
Energy: 1.0058949255291003
Energy: 1.3873851368947325
Energy: 1.0150821262970875
Energy: 1.3862530499922736
Energy: 1.015082126298168
Energy: 1.4268074664979495
Energy: 0.9931669643230499
Energy: 1.2679242109264166
Energy: 0.9931669643230499
Energy: 1.3871946052639341
Energy: 1.0033996290074245
Energy: 1.3982700595489612
Energy: 1.0033996290074245
Energy: 1.3120240192270205
Energy: 0.9930783591335303
Energy: 1.3717879126343995
Energy: 0.9930783591346106
Energy: 1.3988094264830713
Energy: 1.0127610944037988
Energy: 1.4038930106083214
Energy: 1.0127610944037988
Energy: 1.3647224121561663
Energy: 0.9931594229041961
Energy: 1.3090929035959074
Energy: 0.9931594229041961
Energy: 1.40079707095473
Energy: 1.0012767427706621
Energy: 1.3749306443690432
Energy: 1.0012767427695817
Energy: 1.3481744608480908
Energy: 0.9931935509051626
Energy: 1.3140575606400335
Energy: 0.9931935509051626
Energy: 1.3961251425068195
Energy: 1.0010026907002496
Energy: 1.405796679240373
Energy: 1.0010026907002496
Energy: 1.3168544586548903
Energy: 0.9930795856966254
Energy: 1.3557773177462498
Energy: 0.9930795856966254
Energy: 1.3869340444408549
Energy: 0.9916265891088717
Energy: 1.3857383329019208
Energy: 0.9916265891088717
Energy: 1.3961950033490784
Energy: 0.9929970048950546
Energy: 1.2726309845714012
Energy: 0.9929970048950546
Energy: 1.4079689343643402
Energy: 1.0029255343587649
Energy: 1.3821542731730307
Energy: 1.0029255343587649
Energy: 1.2850814480951225
Energy: 1.0061051467778483
Energy: 1.4148755765583076
Energy: 1.0061051467778483
Energy: 1.3104452637587984
Energy: 1.021623880327966
Energy: 1.398525079374127
Energy: 1.021623880327966
Energy: 1.3892687265041945
Energy: 1.0204158310857954
Energy: 1.2462943099196129
Energy: 1.0204158310868754
Energy: 1.3659945615854965
Energy: 1.0540090812545044
Energy: 1.317180192689837
Energy: 1.054009081252344
Energy: 1.221014916481732
Energy: 1.045395236434888
Energy: 1.4133184012624258
Energy: 1.045395236434888
Energy: 1.2810609012345067
Energy: 1.0747501706484375
Energy: 1.3789055235260956
Energy: 1.074750170646277
Energy: 1.4020301576814072
Energy: 1.0659541106913553
Energy: 1.2495764604064208
Energy: 1.0659541106913553
Energy: 1.3682458949058833
Energy: 1.0825281148352799
Energy: 1.3809215421276924
Energy: 1.0825281148352799
Energy: 1.2217660797884975
Energy: 1.045444304467646
Energy: 1.4134726520514551
Energy: 1.045444304467646
Energy: 1.3358647231641738
Energy: 1.042520181751993
Energy: 1.379901172116157
Energy: 1.042520181751993
Energy: 1.388794230241198
Energy: 1.0206155727631439
Energy: 1.2494060666354738
Energy: 1.0206155727631439
Energy: 1.3661362332642628
Energy: 1.028890397220522
Energy: 1.3826358657162128
Energy: 1.0288903972194416
Energy: 1.2810232985626009
Energy: 1.00625933452848
Energy: 1.4148605512335937
Energy: 1.00625933452848
Energy: 1.3869682755470847
Energy: 1.0045402294876873
Energy: 1.3986476289931895
Energy: 1.0045402294887678
Energy: 1.3961936601552498
Energy: 0.9932786209035125
Energy: 1.3218733934952893
Energy: 0.9932786209035125
Energy: 1.4079415843515288
Energy: 1.0025492580213708
Energy: 1.3931747602297948
Energy: 1.0025492580202908
Energy: 1.307878644513313
Energy: 0.9933767257004043
Energy: 1.3558491438146676
Energy: 0.9933767257004043

minimum gb energy = 0.9916265891088717 eV
minimum distance =  2.19566602344841 Angstroms
sigma value = 85


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

Energy: 1.5604356304647373
Energy: 1.0197042553055018
Energy: 1.251980992949798
Energy: 1.0197042553055018
Energy: 1.279639851764293
Energy: 0.9134827762975516
Energy: 1.2908283022014198
Energy: 0.9134827762975516
Energy: 1.1018109487385062
Energy: 1.006143965676465
Energy: 1.5030253846566428
Energy: 1.006143965676465
Energy: 1.2674193970211467
Energy: 0.9521653164788321
Energy: 1.2907653151231675
Energy: 0.9521653164788321
Energy: 1.4593449455189786
Energy: 0.957007397220324
Energy: 1.1273631117145315
Energy: 0.9570073972184501
Energy: 1.267678142871436
Energy: 0.9336370538028774
Energy: 1.2801178063173353
Energy: 0.9336370538038145
Energy: 1.1632085608093898
Energy: 0.9525422661059132
Energy: 1.418040392506972
Energy: 0.9525422661059132
Energy: 1.271429271915727
Energy: 0.9152797870590624
Energy: 1.2801231149988372
Energy: 0.9152797870581256
Energy: 1.371722345198299
Energy: 0.9196745429819707
Energy: 1.2037875246938388
Energy: 0.9196745429819707
Energy: 1.2725511559800846
Energy: 0.908970457236387
Energy: 1.2796540704120745
Energy: 0.908970457236387
Energy: 1.1826328886857302
Energy: 0.919693519954213
Energy: 1.3466085327102804
Energy: 0.919693519954213
Energy: 1.2922279339076232
Energy: 0.90348472513943
Energy: 1.2788293112157492
Energy: 0.90348472513943
Energy: 1.2942595991051526
Energy: 0.9197949938984207
Energy: 1.2263256574563381
Energy: 0.9197949938984207
Energy: 1.294265724868484
Energy: 0.9163807778627332
Energy: 1.291012486812643
Energy: 0.9163807778627332
Energy: 1.2198762905955585
Energy: 0.9198906237261026
Energy: 1.2854908629633885
Energy: 0.9198906237261026
Energy: 1.2761960996750223
Energy: 0.9114874703549651
Energy: 1.2918138895166889
Energy: 0.9114874703549651
Energy: 1.2317517877578523
Energy: 0.919991043725742
Energy: 1.2616393181668035
Energy: 0.919991043725742
Energy: 1.2957813010388224
Energy: 0.9116676413780561
Energy: 1.2896007478705624
Energy: 0.9116676413780561
Energy: 1.2694438301153566
Energy: 0.9197969076504644
Energy: 1.2389334241895051
Energy: 0.9197969076504644
Energy: 1.2820457215784418
Energy: 0.8992639651160889
Energy: 1.2772474271654215
Energy: 0.8992639651160889
Energy: 1.1882236900180458
Energy: 0.919888736366702
Energy: 1.298425185508011
Energy: 0.919888736366702
Energy: 1.27220080415718
Energy: 0.9036413468883236
Energy: 1.2855258259465787
Energy: 0.9036413468883236
Energy: 1.3202947284946749
Energy: 0.9197517992263408
Energy: 1.2037779296598594
Energy: 0.9197517992263408
Energy: 1.2702236323282834
Energy: 1.095632560050346
Energy: 1.258858894642518
Energy: 1.095632560050346
Energy: 1.1631436972595963
Energy: 0.9523432881878197
Energy: 1.2852247036342226
Energy: 0.9523432881878197
Energy: 1.2572640324805784
Energy: 0.9329361550891205
Energy: 1.2589315621255306
Energy: 0.9329361550891205
Energy: 1.313309033399721
Energy: 0.9570921041101303
Energy: 1.1282147381700802
Energy: 0.9570921041101303
Energy: 1.2740261999103328
Energy: 0.9598090578190154
Energy: 1.2269971970333777
Energy: 0.9598090578180787
Energy: 1.099765894556416
Energy: 1.0062122382370366
Energy: 1.3030218145090555
Energy: 1.0062122382361
Energy: 1.2488852944298525
Energy: 0.9840973652717915
Energy: 1.2557176873012192
Energy: 0.9840973652717915
Energy: 1.3484947215731986
Energy: 1.0197216384516197
Energy: 1.1273295222618962
Energy: 1.0197216384516197
Energy: 1.2878433563995184
Energy: 0.9885709744948755
Energy: 1.2542329623034651
Energy: 0.9885709744948755
Energy: 1.099847240621565
Energy: 1.0062349034219613
Energy: 1.3030490381552764
Energy: 1.0062349034219613
Energy: 1.267456199967081
Energy: 0.9518065989912037
Energy: 1.290797991633696
Energy: 0.9518065989912037
Energy: 1.3133723330007927
Energy: 0.9570391956062048
Energy: 1.1273643204122756
Energy: 0.9570391956062048
Energy: 1.2735971655412919
Energy: 0.9335275640519076
Energy: 1.2586746176158086
Energy: 0.9335275640509708
Energy: 1.1637871024955828
Energy: 0.9520722450908782
Energy: 1.2852666261321026
Energy: 0.9520722450899413
Energy: 1.2732016094283434
Energy: 0.9153123278668581
Energy: 1.259758789787869
Energy: 0.9153123278659211
Energy: 1.3201917141774002
Energy: 0.9191174756421666
Energy: 1.2037211151818685
Energy: 0.9191174756421666
Energy: 1.2700980858063735
Energy: 0.9058976405145918
Energy: 1.2770611559191056
Energy: 0.9058976405145918
Energy: 1.1824260367993062
Energy: 0.919180270271875
Energy: 1.2984748184188415
Energy: 0.919180270271875
Energy: 1.280438215736684
Energy: 0.9037224114908363
Energy: 1.2991931251844833
Energy: 0.9037224114908363
Energy: 1.269477484864123
Energy: 0.901593937436477
Energy: 1.2282912617929944
Energy: 0.9015939374374139

minimum gb energy = 0.8992639651160889 eV
minimum distance =  2.20071818368034 Angstroms
sigma value = 113


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

Energy: 0.015934721365796305
Energy: 0.01605332179951201
Energy: 1.7624097734830806
Energy: 0.01605332179951201
Energy: 0.016569006643819405
Energy: 1.1089826966821288
Energy: 0.016569006643099144
Energy: 1.1089826966835294
Energy: 1.336853735840588
Energy: 0.016053321798791757
Energy: 0.015934721365796305
Energy: 0.01605332179951201
Energy: 0.016569006643819405
Energy: 1.1089826966821288
Energy: 0.016569006643099144
Energy: 1.1089826966835294
Energy: 0.015934721365796305
Energy: 0.016053321798791757
Energy: 1.7624097734809596
Energy: 0.01605332179951201
Energy: 0.016569006643099144
Energy: 1.1089826966821288
Energy: 0.016569006643099144
Energy: 1.1089826966821288

minimum gb energy = 0.015934721365796305 eV
minimum distance =  2.39564842774766 Angstroms
sigma value = 1