Model name: model_name=MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_000
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=2.863645806908607
cohesive_energy=4.290547094411586
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: 0.0 eV

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

Energy: 0.013215325670678886
Energy: 0.01357730955686812
Energy: 2.552932261856662
Energy: 0.01357730955686812
Energy: 0.01357730955686812
Energy: 0.014137072472026028
Energy: 0.5545916528251817
Energy: 0.014137072472026028
Energy: 2.552932261857634
Energy: 0.5545916528261535
Energy: 0.013499824740120554
Energy: 0.5545916528261535
Energy: 0.01357730955686812
Energy: 0.014137072472026028
Energy: 0.5545916528261535
Energy: 0.014137072472026028

minimum gb energy = 0.013215325670678886 eV
minimum distance =  2.47545247834038 Angstroms
sigma value = 1


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

Energy: 1.44729879039024
Energy: 1.23758536975216
Energy: 1.2040377972936958
Energy: 1.23758536975216
Energy: 1.4405899758632503
Energy: 0.8924527854323953
Energy: 0.9367200826975617
Energy: 0.8924527854323953
Energy: 1.5590047121856796
Energy: 0.9351550880685392
Energy: 0.9145018493068409
Energy: 0.9351550880685392
Energy: 1.253976521897485
Energy: 0.8935875318024172
Energy: 0.9361492071644639
Energy: 0.8935875318024172
Energy: 1.2505120982714284
Energy: 0.8934690679458883
Energy: 1.3044827542411699
Energy: 0.8934690679458883
Energy: 1.4558957690030883
Energy: 0.8982924415736879
Energy: 0.8981881107463472
Energy: 0.8982924415736879
Energy: 1.082722233945476
Energy: 0.898318973530427
Energy: 0.898212321912297
Energy: 0.898318973530427
Energy: 0.8945482546240321
Energy: 0.8962814069356912
Energy: 1.2962431303155935
Energy: 0.8962814069344791
Energy: 1.0928950433127143
Energy: 1.0569537869439807
Energy: 1.2562120514247064
Energy: 1.0569537869451928
Energy: 1.5073101548589176
Energy: 0.8984211897080194
Energy: 1.0918150970522906
Energy: 0.8984211897080194
Energy: 0.9119874974119035
Energy: 0.9593827247648778
Energy: 1.1744942055146965
Energy: 0.9593827247648778
Energy: 0.91222824822752
Energy: 0.912096374265719
Energy: 1.898892908898986
Energy: 0.9120963742645067
Energy: 1.10308653014172
Energy: 0.9593450524651691
Energy: 1.2539597411879437
Energy: 0.9593450524651691
Energy: 0.9334904839618792
Energy: 0.9593253008993794
Energy: 1.2532319669493828
Energy: 0.9593253008993794
Energy: 0.9230166730727397
Energy: 0.897279939223419
Energy: 1.443340037070969
Energy: 0.8972799392222068
Energy: 0.933357787792843
Energy: 0.8971558104001115
Energy: 1.443468348531072
Energy: 0.8971558104013235
Energy: 0.9376191829598565
Energy: 0.9584966088096006
Energy: 1.2531291612702495
Energy: 0.9584966088096006
Energy: 1.1032728753794967
Energy: 0.9590361382497917
Energy: 1.252862610078001
Energy: 0.9590361382497917
Energy: 0.9048745190185096
Energy: 0.9121302575653919
Energy: 1.9273092878340932
Energy: 0.9121302575666042
Energy: 0.9120990716050335
Energy: 0.9593245524515506
Energy: 1.0872000735459764
Energy: 0.9593245524515506
Energy: 1.5072623350419396
Energy: 0.898788204650981
Energy: 1.089866925533472
Energy: 0.898788204650981
Energy: 1.0922409089684264
Energy: 0.8933019861665279
Energy: 1.2562320684150823
Energy: 0.8933019861653158
Energy: 0.9948794688236157
Energy: 0.8964583210806694
Energy: 1.0968943319698174
Energy: 0.8964583210806694
Energy: 1.271349748336747
Energy: 0.8984295284834081
Energy: 0.8982056419316392
Energy: 0.8984295284821959
Energy: 1.4553416419800724
Energy: 0.8982564939220639
Energy: 0.8984095735586064
Energy: 0.8982564939220639
Energy: 1.2502142856508565
Energy: 0.8935567025966358
Energy: 1.3045019827100532
Energy: 0.8935567025966358
Energy: 1.2514963351486548
Energy: 0.8934041344879153
Energy: 0.9234864641711151
Energy: 0.8934041344891276
Energy: 1.6635452394672479
Energy: 0.9351238818586608
Energy: 0.9151049876713598
Energy: 0.9351238818586608
Energy: 1.440952171972389
Energy: 0.8923633187562434
Energy: 0.93666233787281
Energy: 0.8923633187562434
Energy: 1.264181304861328
Energy: 0.8973708823050293
Energy: 0.9351869878834222
Energy: 0.8973708823050293
Energy: 1.4424527257945714
Energy: 0.8923535438894635
Energy: 0.9242941161675425
Energy: 0.8923535438906758
Energy: 1.4546744921644823
Energy: 0.9105274418260706
Energy: 0.9151275942686075
Energy: 0.9105274418248585
Energy: 1.2504300905627665
Energy: 0.8934594373738753
Energy: 0.9785575181780835
Energy: 0.893459437372663

minimum gb energy = 0.8923535438894635 eV
minimum distance =  2.34749307455098 Angstroms
sigma value = 1


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

Energy: 1.579798874317883
Energy: 0.9408856619172441
Energy: 0.9824353804184818
Energy: 0.9408856619172441
Energy: 1.3235959806201092
Energy: 0.9207112619350507
Energy: 1.0230406875756988
Energy: 0.9207112619350507
Energy: 1.351404868212059
Energy: 0.9653706839290584
Energy: 0.9655755508700125
Energy: 0.9653706839290584
Energy: 0.9193055544523668
Energy: 0.9436367740711059
Energy: 1.0231313467464582
Energy: 0.9436367740724881
Energy: 0.9192259150238649
Energy: 0.945000420947813
Energy: 1.435964787214815
Energy: 0.945000420947813
Energy: 1.3513132890901454
Energy: 0.9437164454237926
Energy: 0.9437345352607764
Energy: 0.9437164454237926
Energy: 0.9679074198620837
Energy: 0.9940180945564282
Energy: 0.9435850656650692
Energy: 0.9940180945564282
Energy: 0.9437558352084708
Energy: 0.9435787172814194
Energy: 1.4352735274418014
Energy: 0.9435787172828015
Energy: 0.9662013913941155
Energy: 0.9196567325292803
Energy: 1.3538662836089463
Energy: 0.9196567325292803
Energy: 1.0228881156694276
Energy: 0.9193707194211727
Energy: 0.9193238677642976
Energy: 0.9193707194211727
Energy: 0.9450420014528778
Energy: 1.1122062433358153
Energy: 1.354525880159355
Energy: 1.1122062433344329
Energy: 0.9443979291514878
Energy: 0.9439896482269899
Energy: 1.8148741693359978
Energy: 0.9439896482269899
Energy: 1.0233082941440208
Energy: 0.9198133752094013
Energy: 1.3224837085564618
Energy: 0.9198133752094013
Energy: 1.023308294145403
Energy: 0.9196129437211833
Energy: 1.322462354676905
Energy: 0.9196129437198013
Energy: 0.9444879004446189
Energy: 0.9439620185613834
Energy: 1.8148334672535384
Energy: 0.9439620185613834
Energy: 0.9450907079545764
Energy: 1.112247773699963
Energy: 1.3544937875860248
Energy: 1.112247773699963
Energy: 1.0228881156708098
Energy: 0.9193658510824295
Energy: 0.9192940300913415
Energy: 0.9193658510824295
Energy: 0.9660031046534159
Energy: 0.9195849756407803
Energy: 1.3538174745458336
Energy: 0.9195849756421623
Energy: 0.9436571678842252
Energy: 0.9435796799215814
Energy: 1.4352735274418014
Energy: 0.9435796799229637
Energy: 0.9676196035006831
Energy: 0.994068540666099
Energy: 0.9437388339248993
Energy: 0.9940685406647167
Energy: 1.3513148559194859
Energy: 0.9437595374462099
Energy: 0.9437329417957098
Energy: 0.9437595374462099
Energy: 0.9193581047673807
Energy: 0.9457539132606507
Energy: 1.4359647872161971
Energy: 0.9457539132606507
Energy: 0.9192925062217826
Energy: 0.9436698855802261
Energy: 1.0231313467492227
Energy: 0.9436698855802261
Energy: 1.3513467141176585
Energy: 0.9653786542329884
Energy: 0.9655395819678801
Energy: 0.9653786542329884
Energy: 1.3239245439841525
Energy: 0.9204929251051557
Energy: 1.0230406875756988
Energy: 0.9204929251051557
Energy: 1.579798874317883
Energy: 0.9408856619172441
Energy: 0.9824353838916308
Energy: 0.9408856619172441
Energy: 1.323595980618727
Energy: 0.9207112619336685
Energy: 1.0230406875756988
Energy: 0.9207112619350507
Energy: 1.351404868212059
Energy: 0.9653706839290584
Energy: 0.9655755508700125
Energy: 0.9653706839276762
Energy: 0.9193055544523668
Energy: 0.9436367740711059
Energy: 1.0231313467464582
Energy: 0.9436367740711059

minimum gb energy = 0.9192259150238649 eV
minimum distance =  2.33562247193063 Angstroms
sigma value = 25


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

Energy: 1.353234511180078
Energy: 1.1113045088850144
Energy: 1.0418463717814643
Energy: 1.1113045088850144
Energy: 1.4442751217461431
Energy: 0.993408247168763
Energy: 1.068668089761652
Energy: 0.993408247168763
Energy: 1.4608124175913866
Energy: 1.024089036034848
Energy: 1.024295561885644
Energy: 1.024089036034848
Energy: 1.2560259961800724
Energy: 0.9888742771715746
Energy: 1.0686909339938746
Energy: 0.9888742771715746
Energy: 1.2551979120882881
Energy: 0.9885268195184614
Energy: 1.264071454703859
Energy: 0.9885268195184614
Energy: 1.4600727957977981
Energy: 0.9934129266564397
Energy: 0.9932957313980475
Energy: 0.9934129266564397
Energy: 1.020385066108106
Energy: 0.9885822087105474
Energy: 0.9932743395556152
Energy: 0.9885822087105474
Energy: 0.9980499410332166
Energy: 1.0198110078809166
Energy: 1.5385332453434315
Energy: 1.0198110078809166
Energy: 1.0735425781259433
Energy: 1.0771794948768307
Energy: 1.2464494234870853
Energy: 1.0771794948768307
Energy: 1.0664785589419135
Energy: 0.9826892085960566
Energy: 1.246179864288092
Energy: 0.9826892085960566
Energy: 1.0613408852164488
Energy: 0.988512772632053
Energy: 1.4487500928646453
Energy: 0.988512772632053
Energy: 1.053010503978115
Energy: 1.0201003961820083
Energy: 1.4480572487283117
Energy: 1.0201003961804014
Energy: 1.0880036622296427
Energy: 0.98279942674797
Energy: 1.2464526498237245
Energy: 0.98279942674797
Energy: 1.0736689060713767
Energy: 1.0772481653944805
Energy: 1.2461846762487407
Energy: 1.0772481653960873
Energy: 1.0191374478469584
Energy: 1.0198526412796771
Energy: 1.7655598974954878
Energy: 1.0198526412796771
Energy: 1.01998837329333
Energy: 0.988545607628229
Energy: 0.9933344389739526
Energy: 0.988545607628229
Energy: 1.7812765711601088
Energy: 0.9932824432550743
Energy: 0.993293062764283
Energy: 0.9932824432550743
Energy: 1.2548874089581188
Energy: 0.9885642598009066
Energy: 1.2646920139137794
Energy: 0.9885642598009066
Energy: 1.1250551249491263
Energy: 0.9886046221497795
Energy: 1.0687200536305939
Energy: 0.9886046221497795
Energy: 1.2351434870234284
Energy: 0.9933009713781582
Energy: 1.0246271304479315
Energy: 0.9933009713781582
Energy: 1.4459744434508055
Energy: 0.9933333081283303
Energy: 1.0248876696471168
Energy: 0.9933333081283303
Energy: 1.2569563123505756
Energy: 0.9827251629701809
Energy: 1.0687541342137177
Energy: 0.9827251629701809
Energy: 1.4462888116906103
Energy: 1.069787716964276
Energy: 1.0685904691913164
Energy: 1.069787716964276
Energy: 1.6109361892876832
Energy: 1.032576922488052
Energy: 1.0332078829487885
Energy: 1.032576922488052
Energy: 1.255345386140969
Energy: 0.9888078171126656
Energy: 1.0156120032982223
Energy: 0.9888078171126656

minimum gb energy = 0.9826892085960566 eV
minimum distance =  2.34631390028152 Angstroms
sigma value = 9


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

Energy: 1.0014972021392576
Energy: 1.000532520097572
Energy: 1.1316972616517424
Energy: 1.000532520097572
Energy: 1.0009026312122637
Energy: 1.0427256455789033
Energy: 1.0425447069004063
Energy: 1.0427256455790774
Energy: 1.0938687974740007
Energy: 1.0940248851123247
Energy: 1.0940163322433551
Energy: 1.0940248851123247
Energy: 1.0426724228964994
Energy: 1.0426664254629885
Energy: 1.0426274230556432
Energy: 1.0426664254631846
Energy: 1.0429714685190064
Energy: 1.043478406023068
Energy: 1.0939919420547537
Energy: 1.043478406023438
Energy: 1.7951134867320964
Energy: 1.042894001038306
Energy: 1.0426926659843967
Energy: 1.042894001038502
Energy: 1.0425966879950384
Energy: 1.0433549217336278
Energy: 1.042950080839534
Energy: 1.0433549217332359
Energy: 1.0427624686107344
Energy: 1.0435058922042937
Energy: 1.591718208060839
Energy: 1.0435058922042937
Energy: 1.2331327836895547
Energy: 1.0432956034774339
Energy: 1.0006144359843645
Energy: 1.043295603477608
Energy: 1.2337148903053192
Energy: 1.0006154612284368
Energy: 1.000639617498545
Energy: 1.0006154612284368
Energy: 1.0435852933675205
Energy: 1.1435946342036265
Energy: 1.5914858056877168
Energy: 1.1435946342034304
Energy: 1.133291267120373
Energy: 1.0005030586601846
Energy: 1.0942590356593351
Energy: 1.0005030586603807
Energy: 1.233106019998616
Energy: 1.0426686089967983
Energy: 1.043157384835923
Energy: 1.0426686089966024
Energy: 1.0939917377581736
Energy: 1.0976037850386835
Energy: 1.093997625765446
Energy: 1.0976037850386835
Energy: 1.04315668676166
Energy: 1.042667440032064
Energy: 1.2331060199995743
Energy: 1.042667440032064
Energy: 1.0940710181630497
Energy: 1.0005432165670651
Energy: 1.1332228733184606
Energy: 1.0005432165668693
Energy: 1.5914423046365247
Energy: 1.1435836612628223
Energy: 1.0436157931830954
Energy: 1.1435836612628223
Energy: 1.000645380033596
Energy: 1.0006268491930694
Energy: 1.233714890304165
Energy: 1.0006268491928731
Energy: 1.0005979895321153
Energy: 1.0432797966246
Energy: 1.2331327836918418
Energy: 1.0432797966244038
Energy: 1.5916958572633249
Energy: 1.0434101007282603
Energy: 1.042752437585149
Energy: 1.0434101007284569
Energy: 1.0429283364150579
Energy: 1.0433108129454856
Energy: 1.0440085911440071
Energy: 1.0433108129456816

minimum gb energy = 1.0005030586601846 eV
minimum distance =  2.32129720994611 Angstroms
sigma value = 25


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

Energy: 1.144926864991259
Energy: 1.101519442504185
Energy: 1.203769312956477
Energy: 1.101519442504185
Energy: 1.4282495612863118
Energy: 1.1972160229430682
Energy: 1.1609232575699227
Energy: 1.1972160229437687
Energy: 1.284272250465121
Energy: 1.1484056515894605
Energy: 1.1615797748817047
Energy: 1.1484056515899455
Energy: 1.1102054282958929
Energy: 1.1887600322555074
Energy: 1.1288862039964873
Energy: 1.1887600322555074
Energy: 1.1896781702820254
Energy: 1.196799735281007
Energy: 1.4698060914327802
Energy: 1.1967997352805493
Energy: 1.5355528948191803
Energy: 1.142597219434788
Energy: 1.1424763001552454
Energy: 1.142597219434788
Energy: 1.2875588145955568
Energy: 1.1897605004842216
Energy: 1.1428453985739966
Energy: 1.1897605004839793
Energy: 1.1894698900803546
Energy: 1.2208787585818133
Energy: 1.4705459775786485
Energy: 1.2208787585818133
Energy: 1.2214749710459583
Energy: 1.1427462543268363
Energy: 1.1423784032934012
Energy: 1.142746254326594
Energy: 1.2688820378936572
Energy: 1.1433526960424492
Energy: 1.1424173888224125
Energy: 1.1433526960431497
Energy: 1.1484517570067452
Energy: 1.1891609894512394
Energy: 1.464960714640759
Energy: 1.1891609894516972
Energy: 1.1887513113611845
Energy: 1.1434870624902616
Energy: 1.130233624508456
Energy: 1.143487062490504
Energy: 1.4163067758946994
Energy: 1.1482438054158395
Energy: 1.1496996024928576
Energy: 1.1482438054155968
Energy: 1.4460133230558398
Energy: 1.1965770303850713
Energy: 1.2855968596480085
Energy: 1.1965770303848289
Energy: 1.3116942295249847
Energy: 1.2262895547390626
Energy: 1.2851426653051616
Energy: 1.2262895547388204
Energy: 1.4278163388251228
Energy: 1.1344202332921514
Energy: 1.1290412265588394
Energy: 1.1344202332921514
Energy: 1.1888995022912439
Energy: 1.142775460632331
Energy: 1.1492894714480713
Energy: 1.1427754606313882

minimum gb energy = 1.101519442504185 eV
minimum distance =  2.30373415953936 Angstroms
sigma value = 17


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

Energy: 1.5653565366288336
Energy: 1.1634146273690196
Energy: 1.2549187084376037
Energy: 1.1634146273690196
Energy: 1.383409055642088
Energy: 1.2253056631152168
Energy: 1.2688231925070688
Energy: 1.2253056631152168
Energy: 1.3831433474796402
Energy: 1.2110933679762217
Energy: 1.1914428240213504
Energy: 1.2110933679762217
Energy: 1.1848363545236085
Energy: 1.1828514884148251
Energy: 1.2342606667801106
Energy: 1.1828514884148251
Energy: 1.2223243707397105
Energy: 1.2248289666848273
Energy: 1.4176574889425766
Energy: 1.2248289666861698
Energy: 1.4109816530569566
Energy: 1.162001846669656
Energy: 1.207018550751287
Energy: 1.162001846669656
Energy: 1.3105430047901359
Energy: 1.1839554046781977
Energy: 1.3757216573088413
Energy: 1.1839554046781977
Energy: 1.21652949680619
Energy: 1.1822828875618665
Energy: 1.4642790806894412
Energy: 1.182282887563209
Energy: 1.1968110887777816
Energy: 1.2274237250806357
Energy: 1.168256307339998
Energy: 1.2274237250806357
Energy: 1.409838969529911
Energy: 1.1639766866579722
Energy: 1.2296210782574464
Energy: 1.1639766866593146
Energy: 1.2096932121134871
Energy: 1.209736531550478
Energy: 1.4354044315617518
Energy: 1.209736531550478
Energy: 1.2095405632299772
Energy: 1.227881757161537
Energy: 1.2608306684336446
Energy: 1.2278817571601943
Energy: 1.3943218777096142
Energy: 1.2408182618162
Energy: 1.2616072542999803
Energy: 1.2408182618175425
Energy: 1.2095103908503178
Energy: 1.2099659375211886
Energy: 1.244029687267121
Energy: 1.2099659375211886
Energy: 1.2101047723205283
Energy: 1.1792571530866933
Energy: 1.4459653207029095
Energy: 1.1792571530880358
Energy: 1.441315235635315
Energy: 1.227671866510972
Energy: 1.168100575897938
Energy: 1.227671866510972
Energy: 1.2180973133491075
Energy: 1.2697438003607517
Energy: 1.2273361811700736
Energy: 1.2697438003607517
Energy: 1.1972271205485627
Energy: 1.2529112249585659
Energy: 1.3943577719388203
Energy: 1.2529112249572234
Energy: 1.2973944283447951
Energy: 1.1628720665164818
Energy: 1.2915541900817706
Energy: 1.1628720665151393
Energy: 1.4058059593126115
Energy: 1.162401694058388
Energy: 1.3647856337750146
Energy: 1.162401694058388
Energy: 1.182119479876929
Energy: 1.259607715593823
Energy: 1.4368819741491996
Energy: 1.2596077155924805
Energy: 1.1821577839134936
Energy: 1.275908918560514
Energy: 1.210804577283956
Energy: 1.2759089185618566
Energy: 1.4162221458513804
Energy: 1.210861252267303
Energy: 1.2108977296239778
Energy: 1.2108612522659605
Energy: 1.362778802948243
Energy: 1.1684906456168989
Energy: 1.3038326454971567
Energy: 1.1684906456155564
Energy: 1.36286087340226
Energy: 1.167427549976718
Energy: 1.3786469118586047
Energy: 1.167427549976718
Energy: 1.41162798379772
Energy: 1.209726510798249
Energy: 1.2110529178908431
Energy: 1.2097265107995914
Energy: 1.1791183758138957
Energy: 1.2280925194257726
Energy: 1.211226152087642
Energy: 1.2280925194257726
Energy: 1.1828703171439283
Energy: 1.1822475624257458
Energy: 1.4430051505118402
Energy: 1.1822475624257458
Energy: 1.377043900837973
Energy: 1.1624875525673333
Energy: 1.3667459928227823
Energy: 1.1624875525673333
Energy: 1.2571634722095422
Energy: 1.1621152628567109
Energy: 1.2050579499848977
Energy: 1.1621152628567109

minimum gb energy = 1.162001846669656 eV
minimum distance =  2.30936902201751 Angstroms
sigma value = 53


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

Energy: 1.1943661683078484
Energy: 1.197456502849037
Energy: 1.37441457816769
Energy: 1.197456502848721
Energy: 1.2762408307145812
Energy: 1.1960314605142321
Energy: 1.1944176076870314
Energy: 1.1960314605142321
Energy: 1.1942908438865598
Energy: 1.2971468397302772
Energy: 1.3068046429767284
Energy: 1.2971468397302772
Energy: 1.3067913311296049
Energy: 1.2971263661731682
Energy: 1.19417976220981
Energy: 1.2971263661731682
Energy: 1.1942306529074063
Energy: 1.197356819304595
Energy: 1.2763883275441155
Energy: 1.1973568193042787
Energy: 1.374414566779124
Energy: 1.197456502849037
Energy: 1.1943661683075324
Energy: 1.197456502849037
Energy: 1.1944176076867152
Energy: 1.196031460514829
Energy: 1.276240830714265
Energy: 1.196031460514829
Energy: 1.3068046429770446
Energy: 1.2971468397305579
Energy: 1.1942908437537365
Energy: 1.2971468397305579
Energy: 1.194179762290445
Energy: 1.2971263661731682
Energy: 1.3067913311289727
Energy: 1.2971263661734842
Energy: 1.2763883275447474
Energy: 1.1973568193048758
Energy: 1.194230652907687
Energy: 1.197356819304595
Energy: 1.1943661683075324
Energy: 1.197456502849037
Energy: 1.3744145551230502
Energy: 1.1974565028493178
Energy: 1.276240830714265
Energy: 1.1960314605145481
Energy: 1.1944176076870314
Energy: 1.1960314605145481
Energy: 1.1942908436440574
Energy: 1.2971468397305579
Energy: 1.3068046429767284
Energy: 1.2971468397302772

minimum gb energy = 1.19417976220981 eV
minimum distance =  2.31511002440973 Angstroms
sigma value = 9


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

Energy: 1.3936802251155889
Energy: 1.2862052889887876
Energy: 1.4458573621207302
Energy: 1.2862052889899316
Energy: 1.552284951391265
Energy: 1.2781248946169768
Energy: 1.3931843511145257
Energy: 1.2781248946169768
Energy: 1.3226744457050814
Energy: 1.2510163190936363
Energy: 1.2512648994770217
Energy: 1.25101631909478
Energy: 1.261845576593965
Energy: 1.2748624092015974
Energy: 1.365336952644525
Energy: 1.2748624092038852
Energy: 1.3187639403942442
Energy: 1.2377423406401558
Energy: 1.55554031976861
Energy: 1.2377423406412997
Energy: 1.5198868567842692
Energy: 1.3489253966208
Energy: 1.3913330338493515
Energy: 1.3489253966208
Energy: 1.3813253983663762
Energy: 1.3287538997661295
Energy: 1.5785045294446844
Energy: 1.3287538997661295
Energy: 1.237914952038728
Energy: 1.2828387088120656
Energy: 1.3255240519040141
Energy: 1.2828387088132094
Energy: 1.3303505062849186
Energy: 1.2513925733201188
Energy: 1.286385422393828
Energy: 1.2513925733201188
Energy: 1.398005320231157
Energy: 1.2514484579670042
Energy: 1.3497498829558485
Energy: 1.2514484579658605
Energy: 1.2625198902477366
Energy: 1.3574255847774586
Energy: 1.5482085390865323
Energy: 1.3574255847774586
Energy: 1.5957259696653938
Energy: 1.3341965894833987
Energy: 1.3260641015453032
Energy: 1.3341965894833987
Energy: 1.3123336062848037
Energy: 1.2664397519811075
Energy: 1.2689870539509622
Energy: 1.2664397519811075
Energy: 1.316778877424563
Energy: 1.3252854196977712
Energy: 1.4180008678915117
Energy: 1.3252854196977712
Energy: 1.321701425159681
Energy: 1.2829980891123598
Energy: 1.2665583052248504
Energy: 1.2829980891135035
Energy: 1.55268521290578
Energy: 1.2663879051901294
Energy: 1.2717258816868144
Energy: 1.2663879051889857
Energy: 1.4299710994641257
Energy: 1.2670641224023453
Energy: 1.6179273079629477
Energy: 1.2670641224023453
Energy: 1.26577074675299
Energy: 1.3564574620616785
Energy: 1.3451717160166463
Energy: 1.3564574620616785
Energy: 1.5874847145762514
Energy: 1.351887225217266
Energy: 1.30854502735727
Energy: 1.35188722521841
Energy: 1.282643333735181
Energy: 1.266316407450138
Energy: 1.2820269199399146
Energy: 1.266316407448994
Energy: 1.2369346088651492
Energy: 1.2833543293686833
Energy: 1.3083940538117813
Energy: 1.2833543293675393
Energy: 1.531262547543971
Energy: 1.2375169903623053
Energy: 1.3887153387432098
Energy: 1.2375169903623053
Energy: 1.4166086745488062
Energy: 1.3459123529440977
Energy: 1.3897086288775435
Energy: 1.3459123529440977
Energy: 1.337582377845064
Energy: 1.357145497630301
Energy: 1.4825917701970062
Energy: 1.3571454976325887
Energy: 1.2607569426335625
Energy: 1.2830482878787102
Energy: 1.2508498603824805
Energy: 1.2830482878798541
Energy: 1.4917936126619655
Energy: 1.3101235925528574
Energy: 1.2513885959076656
Energy: 1.3101235925517136
Energy: 1.4718162668803816
Energy: 1.23302370106411
Energy: 1.564563427296962
Energy: 1.23302370106411
Energy: 1.3928044937573423
Energy: 1.2328740775764184
Energy: 1.5638154550771532
Energy: 1.2328740775775622
Energy: 1.4777285996699017
Energy: 1.3107927422034953
Energy: 1.2989360025444547
Energy: 1.3107927422034953
Energy: 1.2604690362776225
Energy: 1.2837072736959088
Energy: 1.2508180903192556
Energy: 1.2837072736959088
Energy: 1.311323072388366
Energy: 1.3547351246025594
Energy: 1.4886871831026736
Energy: 1.3547351246014154
Energy: 1.4168139630070824
Energy: 1.2373072328738832
Energy: 1.392337020700779
Energy: 1.237307232875027
Energy: 1.6240660389298573
Energy: 1.2373248083697668
Energy: 1.38940180772549
Energy: 1.2373248083686228
Energy: 1.2369655539264626
Energy: 1.2837492801167316
Energy: 1.5697327674236128
Energy: 1.2837492801178754
Energy: 1.2589862468321966
Energy: 1.2665426277425857
Energy: 1.281748039045824
Energy: 1.266542627741442

minimum gb energy = 1.2328740775764184 eV
minimum distance =  2.27072066820956 Angstroms
sigma value = 73


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

Energy: 1.4448583358783291
Energy: 1.3572151604029115
Energy: 1.4953906786874078
Energy: 1.3572151604029115
Energy: 1.4695222147732419
Energy: 1.2977979979143488
Energy: 1.4058486915369737
Energy: 1.2977979979145344
Energy: 1.3496345321808303
Energy: 1.3150990350816827
Energy: 1.2293861725373594
Energy: 1.3150990350813112
Energy: 1.2765138040914201
Energy: 1.2567604903240606
Energy: 1.3727501112824705
Energy: 1.2567604903242255
Energy: 1.4298737478375967
Energy: 1.2568288726682308
Energy: 1.4592726834001157
Energy: 1.2568288726682308
Energy: 1.6705777489119744
Energy: 1.3796044272197316
Energy: 1.239748959127294
Energy: 1.379604427219381
Energy: 1.316583354236215
Energy: 1.3001066003700879
Energy: 1.5045178453451662
Energy: 1.3001066003697372
Energy: 1.2586129101931907
Energy: 1.256781244180893
Energy: 1.3604543899963162
Energy: 1.2567812441810786
Energy: 1.527925189125446
Energy: 1.3148094675070354
Energy: 1.3543900673752853
Energy: 1.3148094675075719
Energy: 1.2568182521643483
Energy: 1.315093027119653
Energy: 1.3548537369378257
Energy: 1.3150930271192818
Energy: 1.2566718502593708
Energy: 1.2567393385246797
Energy: 1.6456696572422997
Energy: 1.2567393385241437
Energy: 1.5648066327800225
Energy: 1.2566958401318546
Energy: 1.4778293525115695
Energy: 1.2566958401323909
Energy: 1.428325242304302
Energy: 1.2570492945643656
Energy: 1.238442258687681
Energy: 1.257049294564201
Energy: 1.314779888795961
Energy: 1.4229210973550193
Energy: 1.526394872549637
Energy: 1.4229210973548336
Energy: 1.2761569568830307
Energy: 1.2566586412307748
Energy: 1.2644150600530282
Energy: 1.2566586412302387
Energy: 1.4076021118954658
Energy: 1.3151683068675488
Energy: 1.2296304189516314
Energy: 1.3151683068671778
Energy: 1.43019135544133
Energy: 1.2382026192966242
Energy: 1.6531878324311489
Energy: 1.2382026192964388
Energy: 1.430589418637213
Energy: 1.2381880695744794
Energy: 1.6523923973590018
Energy: 1.2381880695742937
Energy: 1.5623753988015234
Energy: 1.315558640772415
Energy: 1.2646142630485746
Energy: 1.3155586407729511
Energy: 1.2760326070315933
Energy: 1.2567977284784844
Energy: 1.2294040158202386
Energy: 1.2567977284781338
Energy: 1.3504639777959717
Energy: 1.277776741864617
Energy: 1.5287181953618552
Energy: 1.2777767418651533
Energy: 1.4283202518192113
Energy: 1.256840954783792
Energy: 1.238546795913138
Energy: 1.256840954783792

minimum gb energy = 1.2293861725373594 eV
minimum distance =  2.26832513408519 Angstroms
sigma value = 7


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

Energy: 1.5800842491059792
Energy: 1.3863409507193956
Energy: 1.4858904116611589
Energy: 1.3863409507193956
Energy: 1.5165153675823289
Energy: 1.3062292196078602
Energy: 1.3169755951641695
Energy: 1.3062292196078602
Energy: 1.2995816024199232
Energy: 1.2794869312849664
Energy: 1.280948412465637
Energy: 1.2794869312862496
Energy: 1.304833424167199
Energy: 1.2322119204684487
Energy: 1.280300804357937
Energy: 1.2322119204684487
Energy: 1.3932814267509195
Energy: 1.279708744908675
Energy: 1.2317987109886308
Energy: 1.2797087449073918
Energy: 1.8140567233182463
Energy: 1.2318229684406903
Energy: 1.234634270389316
Energy: 1.2318229684406903
Energy: 1.273513050316426
Energy: 1.3139012114879058
Energy: 1.5851140353765507
Energy: 1.3139012114879058
Energy: 1.2347736324015508
Energy: 1.2320926795062404
Energy: 1.386891292999176
Energy: 1.2320926795062404
Energy: 1.6223305686220333
Energy: 1.2797486790080668
Energy: 1.3163470097880463
Energy: 1.2797486790080668
Energy: 1.2795267647134
Energy: 1.2319882340050423
Energy: 1.3051690973225902
Energy: 1.2319882340050423
Energy: 1.2794511589442374
Energy: 1.2796287767495211
Energy: 1.382023534472869
Energy: 1.2796287767495211
Energy: 1.7268338660897322
Energy: 1.231891787297849
Energy: 1.4957568449060772
Energy: 1.231891787297849
Energy: 1.7235237457203134
Energy: 1.2322814887595692
Energy: 1.497387717229625
Energy: 1.2322814887595692
Energy: 1.280139708682092
Energy: 1.27997191327107
Energy: 1.6509853470278668
Energy: 1.27997191327107
Energy: 1.2793584698302112
Energy: 1.2319285651362453
Energy: 1.2995561490633458
Energy: 1.2319285651362453
Energy: 1.6212329548046107
Energy: 1.3820531887479948
Energy: 1.3141526524108444
Energy: 1.3820531887479948
Energy: 1.2315290470190934
Energy: 1.2320308944777727
Energy: 1.3869386655853009
Energy: 1.2320308944777727
Energy: 1.2319048068240999
Energy: 1.2796625040851248
Energy: 1.6134612988548453
Energy: 1.2796625040838416
Energy: 1.829346712607826
Energy: 1.2318897802571172
Energy: 1.2316748578195298
Energy: 1.2318897802571172
Energy: 1.388002654563369
Energy: 1.2802898907873526
Energy: 1.2317068613933941
Energy: 1.2802898907873526
Energy: 1.2995801606056556
Energy: 1.3139491687253655
Energy: 1.399647205397017
Energy: 1.3139491687253655
Energy: 1.299455499767502
Energy: 1.2799303234038233
Energy: 1.2844942556103063
Energy: 1.2799303234038233
Energy: 1.516558883239553
Energy: 1.3081189515372922
Energy: 1.3156817729679575
Energy: 1.3081189515372922
Energy: 1.4947628099199701
Energy: 1.232633705012822
Energy: 1.7226357647918098
Energy: 1.232633705012822
Energy: 1.5002777319638638
Energy: 1.2316491817279351
Energy: 1.3018691539784502
Energy: 1.231649181726652
Energy: 1.3825851169510306
Energy: 1.2802223806273325
Energy: 1.2844361452362707
Energy: 1.2802223806273325
Energy: 1.301266367544253
Energy: 1.2321192488249437
Energy: 1.28020128052659
Energy: 1.2321192488249437
Energy: 1.3873735366776079
Energy: 1.2800010122415015
Energy: 1.5564865295868846
Energy: 1.2800010122415015
Energy: 1.3868917554651223
Energy: 1.2317143229483762
Energy: 1.2315135926373022
Energy: 1.2317143229483762
Energy: 1.5907834348171626
Energy: 1.332275701526879
Energy: 1.5909800077872085
Energy: 1.3322757015255957
Energy: 1.2315048384793552
Energy: 1.2316923907993738
Energy: 1.3868917554664058
Energy: 1.231692390800657

minimum gb energy = 1.2315048384793552 eV
minimum distance =  2.2883542689715 Angstroms
sigma value = 29


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

Energy: 1.111247941491091
Energy: 1.1997850858630843
Energy: 1.4983110820710444
Energy: 1.1997850858635066
Energy: 1.577128937694802
Energy: 1.1905787774641914
Energy: 1.1976516949315184
Energy: 1.1905787774641914
Energy: 1.4980180872898967
Energy: 1.1676509749147488
Energy: 1.1689480500066274
Energy: 1.1676509749147488
Energy: 1.628188835312371
Energy: 1.1998359664089273
Energy: 1.1683738870114877
Energy: 1.1998359664089273
Energy: 1.663352400741846
Energy: 1.1677788372953941
Energy: 1.1681786999271393
Energy: 1.1677788372953941
Energy: 1.448500439024406
Energy: 1.1688973849076951
Energy: 1.1677818009745866
Energy: 1.1688973849076951
Energy: 1.3193578783494784
Energy: 1.1676083363689083
Energy: 1.4772176123529408
Energy: 1.1676083363693555
Energy: 1.1097825650640507
Energy: 1.169215690277215
Energy: 1.8335835256388788
Energy: 1.169215690277215
Energy: 1.6150105007974345
Energy: 1.198110348790164
Energy: 1.198592218334772
Energy: 1.198110348790164

minimum gb energy = 1.1097825650640507 eV
minimum distance =  2.3407569940952 Angstroms
sigma value = 5


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

Energy: 1.3619528393370817
Energy: 1.238428689898362
Energy: 1.5479641771892276
Energy: 1.238428689898362
Energy: 1.3561004887455081
Energy: 1.2124808734920896
Energy: 1.319801808663182
Energy: 1.2124808734920896
Energy: 1.2750449711371727
Energy: 1.2675714345614022
Energy: 1.2659493375286524
Energy: 1.2675714345638267
Energy: 1.27494918485301
Energy: 1.2767812117523625
Energy: 1.3436089233366257
Energy: 1.2767812117523625
Energy: 1.2065250266841578
Energy: 1.2667098035512325
Energy: 1.2386784997398579
Energy: 1.2667098035512325
Energy: 1.3390408155339169
Energy: 1.2961922891983324
Energy: 1.2359586982343098
Energy: 1.2961922891983324
Energy: 1.340721783782093
Energy: 1.2504133718235306
Energy: 1.3932477241395032
Energy: 1.2504133718247428
Energy: 1.3432139966747514
Energy: 1.2498803351941432
Energy: 1.5186646224616969
Energy: 1.2498803351941432
Energy: 1.5440898516642432
Energy: 1.2300449978580899
Energy: 1.3331739542173253
Energy: 1.2300449978593018
Energy: 1.5459961884586095
Energy: 1.230293931126091
Energy: 1.3357276522508699
Energy: 1.2302939311248786
Energy: 1.265822662880241
Energy: 1.2677161915281263
Energy: 1.4041680512956647
Energy: 1.2677161915293385
Energy: 1.266841394588171
Energy: 1.2675456753805021
Energy: 1.2359987592455353
Energy: 1.2675456753805021
Energy: 1.3698504712413475
Energy: 1.318909049673181
Energy: 1.234778597104048
Energy: 1.3189090496743932
Energy: 1.2243512226138997
Energy: 1.2688360681368933
Energy: 1.2349021385596397
Energy: 1.2688360681381052
Energy: 1.2470506663189516
Energy: 1.368976532545787
Energy: 1.4439885991330614
Energy: 1.3689765325469994
Energy: 1.58704968074472
Energy: 1.241144795889896
Energy: 1.3319070724497575
Energy: 1.2411447958911082
Energy: 1.439409702970084
Energy: 1.2315411696963934
Energy: 1.4605102776794026
Energy: 1.2315411696963934
Energy: 1.2450905102026417
Energy: 1.251964414822039
Energy: 1.5239102081497045
Energy: 1.251964414822039
Energy: 1.341622373016857
Energy: 1.2475111709815263
Energy: 1.295257290724405
Energy: 1.2475111709815263
Energy: 1.263427989018979
Energy: 1.267020053159313
Energy: 1.240832254685465
Energy: 1.2670200531581008
Energy: 1.264514799148234
Energy: 1.2761167296566576
Energy: 1.2961472793918323
Energy: 1.2761167296578695
Energy: 1.3544418720076339
Energy: 1.2671292975528736
Energy: 1.249894953433571
Energy: 1.2671292975528736
Energy: 1.275239380223821
Energy: 1.266205239610665
Energy: 1.251782268818511
Energy: 1.266205239610665
Energy: 1.467060647053811
Energy: 1.2273021674607205
Energy: 1.6487314112904248
Energy: 1.2273021674607205
Energy: 1.463071550015659
Energy: 1.2277459755310232
Energy: 1.7012079236696513
Energy: 1.227745975532235
Energy: 1.450843711514244
Energy: 1.2658322468270757
Energy: 1.2497027356218036
Energy: 1.2658322468270757
Energy: 1.3162029773999542
Energy: 1.2655810045154543
Energy: 1.2519473763690432
Energy: 1.2655810045154543
Energy: 1.302641501011553
Energy: 1.2775723356265558
Energy: 1.4082806913175134
Energy: 1.277572335627768
Energy: 1.2651901335112432
Energy: 1.2673097014881018
Energy: 1.2381761200367798
Energy: 1.2673097014881018
Energy: 1.356995141089793
Energy: 1.3726346481691776
Energy: 1.3029536708150102
Energy: 1.3726346481691776
Energy: 1.2908365781677875
Energy: 1.252491061830353
Energy: 1.3905789033575844
Energy: 1.252491061829141
Energy: 1.3399940224430749
Energy: 1.2205128430599712
Energy: 1.514229765733616
Energy: 1.220512843058759
Energy: 1.7058249043468654
Energy: 1.2325192479523264
Energy: 1.3312525085510631
Energy: 1.2325192479523264

minimum gb energy = 1.2065250266841578 eV
minimum distance =  2.27478995948527 Angstroms
sigma value = 1


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

Energy: 1.2332066475177006
Energy: 1.1846565882733002
Energy: 1.5533232144474358
Energy: 1.1846565882733002
Energy: 1.1801241275634102
Energy: 1.1951094109703202
Energy: 1.246395183746802
Energy: 1.1951094109686438
Energy: 1.3913738769360469
Energy: 1.2452431117686453
Energy: 1.3089055818139381
Energy: 1.2452431117686453
Energy: 1.2455816911023512
Energy: 1.2457111503372025
Energy: 1.2724820385060454
Energy: 1.2457111503372025
Energy: 1.195514994344972
Energy: 1.184770707575456
Energy: 1.1954498522786547
Energy: 1.184770707575456
Energy: 1.195977801826684
Energy: 1.2459764764287764
Energy: 1.1954117875514774
Energy: 1.2459764764287764
Energy: 1.2728166520610253
Energy: 1.2454745146534218
Energy: 1.389510370288645
Energy: 1.2454745146534218
Energy: 1.277145528954073
Energy: 1.245183466530131
Energy: 1.3926033776676108
Energy: 1.245183466528455
Energy: 1.4792918360804577
Energy: 1.184474099876187
Energy: 1.2039791859709574
Energy: 1.184474099876187
Energy: 1.4792918360804577
Energy: 1.184460220172519
Energy: 1.2039818256334187
Energy: 1.184460220170843
Energy: 1.2755895570968105
Energy: 1.2452128679192
Energy: 1.3926033776676108
Energy: 1.2452128679192
Energy: 1.2727980723770982
Energy: 1.2454873033598954
Energy: 1.389510370288645
Energy: 1.2454873033598954
Energy: 1.1961106891193853
Energy: 1.2460331408937078
Energy: 1.1952880481490593
Energy: 1.2460331408937078
Energy: 1.1955137444332575
Energy: 1.1848026143182744
Energy: 1.195599864769362
Energy: 1.1848026143182744
Energy: 1.2454664358385088
Energy: 1.2455673042411077
Energy: 1.2724159486825328
Energy: 1.2455673042411077
Energy: 1.3913738769360469
Energy: 1.2452421934036242
Energy: 1.3087952557421005
Energy: 1.2452421934036242
Energy: 1.180192553179391
Energy: 1.1948703024947844
Energy: 1.2463856382880263
Energy: 1.1948703024931084
Energy: 1.2332066475160246
Energy: 1.1846565882733002
Energy: 1.5533232137806208
Energy: 1.1846565882733002
Energy: 1.1801241275634102
Energy: 1.1951094109703202
Energy: 1.2463951837484781
Energy: 1.1951094109703202
Energy: 1.3913738769360469
Energy: 1.2452431117703215
Energy: 1.3089055818139381
Energy: 1.2452431117686453
Energy: 1.2455816911023512
Energy: 1.2457111503372025
Energy: 1.2724820385060454
Energy: 1.2457111503372025
Energy: 1.195514994344972
Energy: 1.184770707575456
Energy: 1.1954498522769783
Energy: 1.184770707575456
Energy: 1.195977801826684
Energy: 1.2459764764287764
Energy: 1.1954117875514774
Energy: 1.2459764764287764
Energy: 1.2728166520610253
Energy: 1.2454745146534218
Energy: 1.389510370286969
Energy: 1.2454745146534218

minimum gb energy = 1.1801241275634102 eV
minimum distance =  2.28675580118078 Angstroms
sigma value = 17


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

Energy: 1.418833846763512
Energy: 1.2189559246246306
Energy: 1.7822779261510597
Energy: 1.2189559246225588
Energy: 1.3132227459446155
Energy: 1.2240946112965363
Energy: 1.2964633345820806
Energy: 1.2240946112965363
Energy: 1.2460168516164452
Energy: 1.2232935753967107
Energy: 1.2374027513487194
Energy: 1.2232935753967107
Energy: 1.2739530679997042
Energy: 1.234672948348984
Energy: 1.3800702691595452
Energy: 1.234672948351056
Energy: 1.252453128394529
Energy: 1.21766824656446
Energy: 1.241170112953656
Energy: 1.217668246562388
Energy: 1.2619440661838282
Energy: 1.249198808420775
Energy: 1.2412015406721773
Energy: 1.2491988084197392
Energy: 1.2272806589115974
Energy: 1.2304732100614915
Energy: 1.218092719416677
Energy: 1.2304732100604554
Energy: 1.2254429522618122
Energy: 1.2304344944431218
Energy: 1.2515191958778638
Energy: 1.230434494442086
Energy: 1.451097739118551
Energy: 1.2067009249645657
Energy: 1.3923438832797261
Energy: 1.2067009249645657
Energy: 1.4908523998125593
Energy: 1.2068642952217354
Energy: 1.3912474445538217
Energy: 1.2068642952206996
Energy: 1.2857473870112441
Energy: 1.2108087475305602
Energy: 1.2518768854835347
Energy: 1.2108087475295244
Energy: 1.2825593985653336
Energy: 1.2110565726548916
Energy: 1.2502218223266612
Energy: 1.2110565726548916
Energy: 1.270234867045301
Energy: 1.2361768407824316
Energy: 1.241458251139649
Energy: 1.2361768407813956
Energy: 1.226727517044529
Energy: 1.2178648541803005
Energy: 1.2401935161828592
Energy: 1.2178648541792645
Energy: 1.2256686322149173
Energy: 1.2569731549393315
Energy: 1.245262675080412
Energy: 1.2569731549393315
Energy: 1.2286050308468848
Energy: 1.2305291164268672
Energy: 1.2371886519960134
Energy: 1.2305291164258314
Energy: 1.3772463926895737
Energy: 1.2124738027499329
Energy: 1.2762398530322812
Energy: 1.2124738027509692
Energy: 1.2795523650441556
Energy: 1.2199262067752759
Energy: 1.4726094382324306
Energy: 1.2199262067773478
Energy: 1.2804857058058288
Energy: 1.200911126182287
Energy: 1.2766353792822218
Energy: 1.200911126182287
Energy: 1.5907840582827146
Energy: 1.2154750193605675
Energy: 1.2815592556465236
Energy: 1.2154750193626396
Energy: 1.2583412378801098
Energy: 1.3286155434250821
Energy: 1.3676266916721205
Energy: 1.328615543426118
Energy: 1.2265309392958137
Energy: 1.218071998849293
Energy: 1.2250750613492067
Energy: 1.2180719988482571
Energy: 1.324863893314935
Energy: 1.3025822528515998
Energy: 1.2766204098454903
Energy: 1.3025822528515998
Energy: 1.2192935153752567
Energy: 1.2311094353339296
Energy: 1.2053201560107443
Energy: 1.2311094353339296
Energy: 1.220653692495581
Energy: 1.2579959263000342
Energy: 1.2924642794502061
Energy: 1.2579959263010703
Energy: 1.247646836085534
Energy: 1.2182821026357682
Energy: 1.2240576513440653
Energy: 1.2182821026326605
Energy: 1.3306364584424906
Energy: 1.2184540658873957
Energy: 1.2868186318727273
Energy: 1.2184540658884317
Energy: 1.383816566990503
Energy: 1.1926746086662239
Energy: 1.6597780337617976
Energy: 1.1926746086662239
Energy: 1.3888205481221585
Energy: 1.1933444438743597
Energy: 1.5032554006226309
Energy: 1.1933444438733238
Energy: 1.246073936740871
Energy: 1.2185578399258281
Energy: 1.2242715982008723
Energy: 1.2185578399258281
Energy: 1.2491683825101523
Energy: 1.2186752475771079
Energy: 1.2869742812070233
Energy: 1.2186752475760718
Energy: 1.2191788760682298
Energy: 1.2560058218322208
Energy: 1.2484211326929073
Energy: 1.2560058218322208
Energy: 1.220723128785617
Energy: 1.2315239760008592
Energy: 1.203244993146216
Energy: 1.2315239760018952
Energy: 1.3019215050809305
Energy: 1.2347115730402858
Energy: 1.225622737229903
Energy: 1.2347115730402858
Energy: 1.2253286428239403
Energy: 1.2187783566221166
Energy: 1.2582240186448876
Energy: 1.2187783566210806
Energy: 1.3345512067082381
Energy: 1.1987527962226863
Energy: 1.3713713609548839
Energy: 1.1987527962216502
Energy: 1.6446732920697384
Energy: 1.210204783869171
Energy: 1.2811091089701754
Energy: 1.210204783870207
Energy: 1.378583836747554
Energy: 1.2001280975122661
Energy: 1.2936397460696172
Energy: 1.2001280975091584

minimum gb energy = 1.1926746086662239 eV
minimum distance =  2.2817254310291 Angstroms
sigma value = 89


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

Energy: 1.3183196440243774
Energy: 1.1369061485850835
Energy: 1.6032385565459042
Energy: 1.1369061485850835
Energy: 1.2192040532439388
Energy: 1.169947980699452
Energy: 1.2722114832681342
Energy: 1.169947980699452
Energy: 1.341846531271725
Energy: 1.127936983337656
Energy: 1.1420486378497192
Energy: 1.127936983337656
Energy: 1.1898514976311507
Energy: 1.1984635375791979
Energy: 1.3419863665460903
Energy: 1.1984635375791979
Energy: 1.2057466114248863
Energy: 1.1836977748375659
Energy: 1.1853119855513776
Energy: 1.1836977748372888
Energy: 1.182408082324971
Energy: 1.3563506280600206
Energy: 1.1852901974040098
Energy: 1.356350628060575
Energy: 1.1852725920691214
Energy: 1.128072655024835
Energy: 1.1850554275762895
Energy: 1.128072655024835
Energy: 1.1835217900623678
Energy: 1.1956132850211407
Energy: 1.3444865339354173
Energy: 1.1956132850214178
Energy: 1.3431627393025432
Energy: 1.1838937978689967
Energy: 1.12254839721972
Energy: 1.1838937978695205
Energy: 1.1826928509112904
Energy: 1.1847135917036515
Energy: 1.1213484461099377
Energy: 1.184713591703128
Energy: 1.26298869872142
Energy: 1.1278976120125046
Energy: 1.3443960715612144
Energy: 1.1278976120130282
Energy: 1.2628390779490353
Energy: 1.1289020309656814
Energy: 1.3443695565166052
Energy: 1.1289020309662359
Energy: 1.3429606477800111
Energy: 1.1840627231436038
Energy: 1.1230195016661466
Energy: 1.1840627231438503
Energy: 1.3415854703383308
Energy: 1.184978860286788
Energy: 1.1212312947798937
Energy: 1.184978860286788
Energy: 1.1849266674631127
Energy: 1.183880219937538
Energy: 1.2570784930528924
Energy: 1.1838802199372913

minimum gb energy = 1.1212312947798937 eV
minimum distance =  2.28424872326162 Angstroms
sigma value = 13


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

Energy: 1.2463608307298397
Energy: 1.1188557417395315
Energy: 1.5868277447040773
Energy: 1.1188557417383953
Energy: 1.1951228429293186
Energy: 1.1201436743092492
Energy: 1.1728365309496729
Energy: 1.1201436743103852
Energy: 1.208101390132821
Energy: 1.1028563890660905
Energy: 1.2266094377772825
Energy: 1.1028563890660905
Energy: 1.1974445582047477
Energy: 1.106601111438184
Energy: 1.1989802971508774
Energy: 1.106601111438184
Energy: 1.1361388298079471
Energy: 1.1199102190649088
Energy: 1.1478968928824045
Energy: 1.1199102190637726
Energy: 1.2680788177895856
Energy: 1.1175135677133081
Energy: 1.2079152333103027
Energy: 1.1175135677155803
Energy: 1.1496999362402511
Energy: 1.086298298847686
Energy: 1.159856415821012
Energy: 1.0862982988454135
Energy: 1.1483632968965645
Energy: 1.1251254033960434
Energy: 1.1461078511041667
Energy: 1.1251254033983156
Energy: 1.1460710389002584
Energy: 1.1173997799788962
Energy: 1.1260932626842635
Energy: 1.1173997799777602
Energy: 1.2718029795052865
Energy: 1.1194844661906154
Energy: 1.2244247702420317
Energy: 1.1194844661906154
Energy: 1.1982819596348386
Energy: 1.1000753364694908
Energy: 1.3039472884068266
Energy: 1.1000753364683549
Energy: 1.1986039143420413
Energy: 1.1024505920546044
Energy: 1.1363069775620356
Energy: 1.1024505920546044
Energy: 1.1910683365530481
Energy: 1.0992070478694806
Energy: 1.1767223044330968
Energy: 1.0992070478694806
Energy: 1.143046898094683
Energy: 1.1014552025311717
Energy: 1.2996433979827786
Energy: 1.1014552025311717
Energy: 1.198470367464338
Energy: 1.1000124993123277
Energy: 1.1791872382355568
Energy: 1.100012499313464
Energy: 1.1984552912332882
Energy: 1.1020429346458473
Energy: 1.205855088373495
Energy: 1.1020429346469836
Energy: 1.2080956132355203
Energy: 1.1174272026833234
Energy: 1.1260221301000557
Energy: 1.1174272026833234
Energy: 1.1478240087803748
Energy: 1.1196307381463053
Energy: 1.2251072926395616
Energy: 1.1196307381474413
Energy: 1.1490481320705574
Energy: 1.0870970376773448
Energy: 1.1480084939775967
Energy: 1.0870970376762086
Energy: 1.148765168226665
Energy: 1.086755020245924
Energy: 1.1489959360811335
Energy: 1.0867550202470602
Energy: 1.2251181188664222
Energy: 1.120064627813935
Energy: 1.1484479368024325
Energy: 1.1200646278127988
Energy: 1.126702753636286
Energy: 1.1172267346571028
Energy: 1.1989304023139797
Energy: 1.1172267346571028
Energy: 1.2083678449656923
Energy: 1.102774285166874
Energy: 1.198928977454697
Energy: 1.1027742851646019
Energy: 1.2032065365181837
Energy: 1.1000513944748895
Energy: 1.198355219149323
Energy: 1.1000513944737533
Energy: 1.2496640278603675
Energy: 1.1158300531525647
Energy: 1.2146427005582536
Energy: 1.1158300531525647
Energy: 1.2185261615585372
Energy: 1.1143286878900929
Energy: 1.3273392232863261
Energy: 1.1143286878900929
Energy: 1.1408901585898261
Energy: 1.1026751453841193
Energy: 1.1988609117685376
Energy: 1.1026751453829833
Energy: 1.202402938525977
Energy: 1.0999349164665948
Energy: 1.198049619227998
Energy: 1.0999349164665948
Energy: 1.224573954203886
Energy: 1.119503229019814
Energy: 1.2428305678575313
Energy: 1.119503229019814
Energy: 1.1266757869063169
Energy: 1.1173152766703165
Energy: 1.1456701190039988
Energy: 1.1173152766703165
Energy: 1.1464699835464505
Energy: 1.1255941518518102
Energy: 1.148146470995698
Energy: 1.1255941518506742
Energy: 1.1583223088220638
Energy: 1.0864209452765257
Energy: 1.1495321625742252
Energy: 1.0864209452765257
Energy: 1.154280816356577
Energy: 1.117311147046968
Energy: 1.2356459527000956
Energy: 1.117311147046968
Energy: 1.1480437741235934
Energy: 1.1197748155703349
Energy: 1.1361546923776689
Energy: 1.119774815571471
Energy: 1.1900655118800965
Energy: 1.1834415242955791
Energy: 1.1767876372569614
Energy: 1.1834415242967153

minimum gb energy = 1.0862982988454135 eV
minimum distance =  2.28220033139557 Angstroms
sigma value = 37


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

Energy: 1.188861742768344
Energy: 1.0322293133996694
Energy: 1.4290503269793708
Energy: 1.0322293133996694
Energy: 1.217081838134779
Energy: 1.051901302404076
Energy: 1.1087280264934356
Energy: 1.0519013024038983
Energy: 1.2253056377318647
Energy: 1.015797716777078
Energy: 1.1404556215041617
Energy: 1.0157977167768784
Energy: 1.147718231598122
Energy: 1.0315124983828383
Energy: 1.1086393438382862
Energy: 1.0315124983822386
Energy: 1.103176808677825
Energy: 1.0137859478232716
Energy: 1.2144557699978413
Energy: 1.0137859478232716
Energy: 1.1908018970612118
Energy: 1.0563060277739449
Energy: 1.1289771319805013
Energy: 1.0563060277733674
Energy: 1.1058281776265744
Energy: 1.0158061320646758
Energy: 1.1000767067247428
Energy: 1.0158061320644758
Energy: 1.1051828644037993
Energy: 1.156461254409309
Energy: 1.1244222955899825
Energy: 1.156461254409309
Energy: 1.1124919729430818
Energy: 1.0138158325454376
Energy: 1.1243531959066082
Energy: 1.0138158325452375
Energy: 1.1901045746617311
Energy: 1.0562286799355962
Energy: 1.1249939209673434
Energy: 1.0562286799357963
Energy: 1.0752264801819684
Energy: 1.0157068581380715
Energy: 1.1623269226941468
Energy: 1.0157068581382713
Energy: 1.085154415315356
Energy: 1.0579920102568148
Energy: 1.170394668177332
Energy: 1.057992010256615
Energy: 1.225340435211718
Energy: 1.0139995833401507
Energy: 1.1348655081063372
Energy: 1.0139995833399509
Energy: 1.070238393046251
Energy: 1.0162742230182387
Energy: 1.136619751293316
Energy: 1.0162742230180386
Energy: 1.139216047149771
Energy: 1.0313497475352977
Energy: 1.212796756516584
Energy: 1.0313497475354754
Energy: 1.1073471822635028
Energy: 1.0387597321932616
Energy: 1.1668731342103158
Energy: 1.0387597321934614
Energy: 1.225575712717079
Energy: 1.0139909077172475
Energy: 1.1349261306235825
Energy: 1.0139909077168476
Energy: 1.1474128151899206
Energy: 1.0161345120567447
Energy: 1.13624224676805
Energy: 1.0161345120567447
Energy: 1.0753706478644829
Energy: 1.0157003867320995
Energy: 1.2130594280605873
Energy: 1.0157003867324996
Energy: 1.0754174387135769
Energy: 1.0575131399091091
Energy: 1.2145297770017984
Energy: 1.0575131399089088

minimum gb energy = 1.0137859478232716 eV
minimum distance =  2.29661710753471 Angstroms
sigma value = 25


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

Energy: 1.1193448769083416
Energy: 0.943973208195675
Energy: 1.261538776176075
Energy: 0.943973208195675
Energy: 0.9947703143415993
Energy: 0.9721323736587786
Energy: 1.0347071666672367
Energy: 0.9721323736587786
Energy: 1.0911353084329545
Energy: 0.9282589393546671
Energy: 1.0921346265232308
Energy: 0.9282589393531407
Energy: 1.040852449243282
Energy: 0.9798814554309436
Energy: 1.0347761206112231
Energy: 0.9798814554309436
Energy: 1.0452189841576727
Energy: 0.9213525774053204
Energy: 1.0799454933712012
Energy: 0.9213525774037941
Energy: 1.0411134750144375
Energy: 0.9406854071122992
Energy: 1.0681207532769657
Energy: 0.9406854071107729
Energy: 1.0203625440999193
Energy: 0.9211866235055363
Energy: 1.0455300609567584
Energy: 0.9211866235040098
Energy: 1.0449525191613156
Energy: 0.9443151202699579
Energy: 1.0822414395765534
Energy: 0.9443151202699579
Energy: 1.015363034167956
Energy: 0.9215815957575272
Energy: 1.036929244175742
Energy: 0.9215815957575272
Energy: 1.063370376531731
Energy: 0.9962640247199919
Energy: 1.0465387706992406
Energy: 0.9962640247199919
Energy: 1.0074547282102153
Energy: 0.9210184793623036
Energy: 1.0446612352373708
Energy: 0.9210184793638299
Energy: 1.0421937983855103
Energy: 0.9442920576213142
Energy: 1.0677788088830371
Energy: 0.9442920576213142
Energy: 1.0231724469131975
Energy: 0.9216693972816767
Energy: 1.0187232557358017
Energy: 0.9216693972816767
Energy: 1.1159467478664404
Energy: 0.943765078973586
Energy: 1.0090851161644456
Energy: 0.9437650789720596
Energy: 0.9926011705248171
Energy: 0.9211488062195193
Energy: 1.0823076995279541
Energy: 0.9211488062195193
Energy: 1.0169562460348334
Energy: 0.9212529036161687
Energy: 1.0336758804355641
Energy: 0.9212529036161687
Energy: 1.0875919491516997
Energy: 0.9283594186915431
Energy: 1.0088467137621475
Energy: 0.9283594186900168
Energy: 0.99994901584699
Energy: 0.9540131240757797
Energy: 1.0094631048693508
Energy: 0.9540131240742534
Energy: 1.0291861310073143
Energy: 0.9425103338669794
Energy: 1.0842030028702003
Energy: 0.9425103338669794
Energy: 1.038850039668474
Energy: 0.943207296273789
Energy: 1.033421525705406
Energy: 0.9432072962722626
Energy: 1.0873996580372502
Energy: 0.9285389878261349
Energy: 1.008968677489943
Energy: 0.9285389878246085
Energy: 1.057750110871172
Energy: 0.9382486613517034
Energy: 1.0094123933638268
Energy: 0.9382486613517034
Energy: 0.9926132752264257
Energy: 0.9213130665540336
Energy: 1.079451150885815
Energy: 0.9213130665540336
Energy: 1.0403858965255304
Energy: 0.9208898606401265
Energy: 1.0586032300882982
Energy: 0.9208898606416528
Energy: 1.0242622019515153
Energy: 0.9216400960212082
Energy: 1.0190672704735124
Energy: 0.9216400960212082
Energy: 1.0925481104668704
Energy: 0.9434398889819087
Energy: 1.009330627412762
Energy: 0.9434398889819087

minimum gb energy = 0.9208898606401265 eV
minimum distance =  2.30607560938398 Angstroms
sigma value = 41


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

Energy: 1.0410256191434875
Energy: 0.8760594119481436
Energy: 1.1386347838213822
Energy: 0.876059411949395
Energy: 0.9299860756137147
Energy: 0.8985485208544474
Energy: 0.9795671547806681
Energy: 0.8985485208544474
Energy: 0.9907985296033713
Energy: 0.8575670490508276
Energy: 0.9983598048727315
Energy: 0.8575670490508276
Energy: 0.9808792580616439
Energy: 0.9242577272542819
Energy: 0.9793112554336939
Energy: 0.9242577272542819
Energy: 0.9891671156120778
Energy: 0.8479036259554673
Energy: 0.9822199774493369
Energy: 0.8479036259554673
Energy: 0.9807821616521805
Energy: 0.8656018354672872
Energy: 0.9637322358694022
Energy: 0.865601835466036
Energy: 0.9947046673611779
Energy: 0.8444720698904344
Energy: 0.9853096899500722
Energy: 0.8444720698904344
Energy: 0.9806652862289748
Energy: 0.8701096040673115
Energy: 0.9635405455229324
Energy: 0.8701096040660601
Energy: 0.9876471455330115
Energy: 0.8445236127723041
Energy: 0.9593833174878634
Energy: 0.8445236127723041
Energy: 0.9805835528153269
Energy: 0.9013766095081117
Energy: 0.9776994414406874
Energy: 0.9013766095081117
Energy: 0.974491163065676
Energy: 0.8446661882647613
Energy: 0.9627477393493573
Energy: 0.844666188267264
Energy: 0.9687600940927064
Energy: 0.8881830302422077
Energy: 0.9776985213898359
Energy: 0.8881830302447103
Energy: 0.9813345089916019
Energy: 0.8446211753103963
Energy: 0.9558333349310287
Energy: 0.8446211753103963
Energy: 0.9804688182763182
Energy: 0.8581760368496647
Energy: 0.9670542758353589
Energy: 0.8581760368496647
Energy: 0.9306680734674296
Energy: 0.844553682065558
Energy: 0.9631442089094253
Energy: 0.8445536820643067
Energy: 0.9306388864568075
Energy: 0.8580523943360622
Energy: 0.9947403618976592
Energy: 0.8580523943373136
Energy: 0.9986041242134175
Energy: 0.8443503986381442
Energy: 0.92332863348998
Energy: 0.844350398636893
Energy: 0.9772095705499898
Energy: 0.8442506668592608
Energy: 0.9413402360259757
Energy: 0.8442506668580093
Energy: 0.9310376206356515
Energy: 0.8471812807010384
Energy: 0.9838707979064825
Energy: 0.8471812807010384
Energy: 0.934386617297092
Energy: 0.9134861865646496
Energy: 0.9365184562382828
Energy: 0.9134861865646496
Energy: 0.988127486471181
Energy: 0.8563405273908006
Energy: 0.9410370470843097
Energy: 0.8563405273895494
Energy: 0.9317264343677898
Energy: 0.8764425724342909
Energy: 0.9756063421079028
Energy: 0.8764425724342909
Energy: 0.96584322430233
Energy: 0.875403976982895
Energy: 0.9863696999096693
Energy: 0.875403976982895
Energy: 0.9909815458729166
Energy: 0.8789674627667436
Energy: 0.9624982540759923
Energy: 0.8789674627667436
Energy: 0.9878594913522382
Energy: 0.8563321597180116
Energy: 0.9409799296200199
Energy: 0.8563321597180116
Energy: 0.9773743718297709
Energy: 0.8575509555046512
Energy: 0.9755711391227959
Energy: 0.8575509555059025
Energy: 0.9310460422616587
Energy: 0.847332634631962
Energy: 0.9863742233991961
Energy: 0.8473326346307105
Energy: 0.9654186924132259
Energy: 0.8553441856536033
Energy: 0.9947441654333427
Energy: 0.8553441856548547
Energy: 0.99356502777337
Energy: 0.8442604212717829
Energy: 0.9232773091765746
Energy: 0.8442604212705316
Energy: 0.9808052175803267
Energy: 0.843948358319767
Energy: 0.9668426840363733
Energy: 0.843948358319767
Energy: 0.9308678049679342
Energy: 0.8444028885350182
Energy: 0.9584302840890013
Energy: 0.8444028885362694
Energy: 0.9307732405616652
Energy: 0.8577023677661036
Energy: 1.0022710982124714
Energy: 0.857702367767355

minimum gb energy = 0.843948358319767 eV
minimum distance =  2.31356910563493 Angstroms
sigma value = 15


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

Energy: 0.968183781607668
Energy: 0.8145541882722653
Energy: 1.0433089519983985
Energy: 0.8145541882733253
Energy: 0.9228582336280322
Energy: 0.8676052928374859
Energy: 0.9143082388196697
Energy: 0.867605292838546
Energy: 0.913629324946853
Energy: 0.8045023275491836
Energy: 0.9435199629853709
Energy: 0.8045023275513036
Energy: 0.9107111534558786
Energy: 0.8168526542284066
Energy: 0.9143285983417136
Energy: 0.8168526542273467
Energy: 0.9297851181092438
Energy: 0.7928883734398334
Energy: 0.9073155915134787
Energy: 0.7928883734419535
Energy: 0.9105131942328035
Energy: 0.8520780361679962
Energy: 0.9121487300128877
Energy: 0.8520780361679962
Energy: 0.9174202170456177
Energy: 0.7828236082701372
Energy: 0.9397242353710924
Energy: 0.7828236082711971
Energy: 0.9029981536266801
Energy: 0.8527516158946847
Energy: 0.9122432144537442
Energy: 0.8527516158936246
Energy: 0.9322324987218098
Energy: 0.7816878751191849
Energy: 0.8945042073192733
Energy: 0.781687875121305
Energy: 0.9028500981369697
Energy: 0.798399642940473
Energy: 0.9144606797169328
Energy: 0.798399642940473
Energy: 0.9064614454207623
Energy: 0.7817885413872969
Energy: 0.9111013143025922
Energy: 0.7817885413872969
Energy: 0.9125626212760987
Energy: 0.8181492335891031
Energy: 0.9139990928711974
Energy: 0.8181492335891031
Energy: 0.9132137008100942
Energy: 0.7818803754465309
Energy: 0.8940088251607552
Energy: 0.7818803754486511
Energy: 0.9127581472062243
Energy: 0.8096912604391333
Energy: 0.9072764997130155
Energy: 0.8096912604380733
Energy: 0.907860481980097
Energy: 0.7819343128553476
Energy: 0.897592495927857
Energy: 0.7819343128542877
Energy: 0.9121100828780438
Energy: 0.8096863968465247
Energy: 0.9140447241710996
Energy: 0.8096863968475848
Energy: 0.9099792733477543
Energy: 0.7818049215224395
Energy: 0.9058481466615942
Energy: 0.7818049215224395
Energy: 0.91976116069146
Energy: 0.7905567199362595
Energy: 0.8767144696952041
Energy: 0.7905567199373197
Energy: 0.8713218457483515
Energy: 0.7816496285587959
Energy: 0.8981839146776313
Energy: 0.7816496285587959
Energy: 0.9053105699476549
Energy: 0.7981058047596316
Energy: 0.907984766825736
Energy: 0.7981058047596316
Energy: 0.9214336014060438
Energy: 0.7832339236082353
Energy: 0.8776935294587186
Energy: 0.7832339236092953
Energy: 0.921822677243434
Energy: 0.84511732190187
Energy: 0.9127128471956587
Energy: 0.8451173219029299
Energy: 0.8801091494634328
Energy: 0.7927634083139
Energy: 0.9086003672728655
Energy: 0.79276340831284
Energy: 0.9136391061801827
Energy: 0.8576116899769692
Energy: 0.9202028707511445
Energy: 0.8576116899790894
Energy: 0.9116236804956162
Energy: 0.8013289291807588
Energy: 0.8944998505249597
Energy: 0.8013289291818189
Energy: 0.8788178336314093
Energy: 0.8202031458433608
Energy: 0.922185847660027
Energy: 0.8202031458412409
Energy: 0.9054323180642898
Energy: 0.8141280338040536
Energy: 0.9104101239902027
Energy: 0.8141280338040536
Energy: 0.9228570370404144
Energy: 0.8256656782688189
Energy: 0.920621379429331
Energy: 0.8256656782698789
Energy: 0.9180566099462899
Energy: 0.8013064389613479
Energy: 0.8942904862873892
Energy: 0.8013064389602877
Energy: 0.921803511641008
Energy: 0.8035541430596799
Energy: 0.9220680704737491
Energy: 0.8035541430596799
Energy: 0.8799036171077085
Energy: 0.7928612163704286
Energy: 0.9100140911444367
Energy: 0.7928612163704286
Energy: 0.9135622222273821
Energy: 0.8030195844636558
Energy: 0.9083559551719476
Energy: 0.8030195844636558
Energy: 0.917114366829326
Energy: 0.7831776593845764
Energy: 0.8772205991103115
Energy: 0.7831776593845764
Energy: 0.9199860386963988
Energy: 0.7882741085431054
Energy: 0.9044698613808819
Energy: 0.7882741085420455
Energy: 0.8710283262167696
Energy: 0.781882454230918
Energy: 0.909174748196856
Energy: 0.781882454230918
Energy: 0.9062484663779243
Energy: 0.7975975756508555
Energy: 0.9145723406828944
Energy: 0.7975975756487353
Energy: 0.9024069177345118
Energy: 0.7820621335683268
Energy: 0.9061775116294527
Energy: 0.7820621335672668

minimum gb energy = 0.7816496285587959 eV
minimum distance =  2.31689801982543 Angstroms
sigma value = 85


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

Energy: 0.9513657289572327
Energy: 0.7585928308443273
Energy: 0.9207491275179734
Energy: 0.758592830843408
Energy: 0.8296441708707597
Energy: 0.7609114785915523
Energy: 0.8352631138420281
Energy: 0.7609114785915523
Energy: 0.8283825836868417
Energy: 0.7569398323345432
Energy: 0.9149982047683785
Energy: 0.7569398323336239
Energy: 0.8222385147020306
Energy: 0.7583547161122439
Energy: 0.8352650423606788
Energy: 0.7583547161122439
Energy: 0.8974675930485801
Energy: 0.7241100600215049
Energy: 0.8284744875247317
Energy: 0.7241100600215049
Energy: 0.8223218803767465
Energy: 0.6706780241969126
Energy: 0.8296436581797545
Energy: 0.6706780241959931
Energy: 0.8417019963518103
Energy: 0.7256101204964819
Energy: 0.8770861227665362
Energy: 0.7256101204964819
Energy: 0.8324354152097942
Energy: 0.7692855828527936
Energy: 0.8295244819477319
Energy: 0.7692855828527936
Energy: 0.8816749189358533
Energy: 0.7078393004373851
Energy: 0.8570692135147872
Energy: 0.7078393004373851
Energy: 0.8325489759806983
Energy: 0.7817380076638641
Energy: 0.8361460043087454
Energy: 0.7817380076629447
Energy: 0.817554572205813
Energy: 0.7078416462513656
Energy: 0.8687615554333954
Energy: 0.7078416462522849
Energy: 0.8525350302928433
Energy: 0.7214603835314567
Energy: 0.8356212130739259
Energy: 0.7214603835323761
Energy: 0.8411063964292057
Energy: 0.7080952226215879
Energy: 0.834678368118064
Energy: 0.7080952226215879
Energy: 0.8522901591838795
Energy: 0.7528183374486819
Energy: 0.8511680115968
Energy: 0.7528183374486819
Energy: 0.8140189333775393
Energy: 0.7080407737072024
Energy: 0.845138234404795
Energy: 0.7080407737072024
Energy: 0.8463016778718402
Energy: 0.7520147081254323
Energy: 0.8508652859428776
Energy: 0.752014708124513
Energy: 0.8178075304863242
Energy: 0.707895682365137
Energy: 0.8343464072255768
Energy: 0.7078956823642176
Energy: 0.8520668954871546
Energy: 0.7517397794181478
Energy: 0.8507913054520715
Energy: 0.7517397794181478
Energy: 0.8298346772078732
Energy: 0.7079206117040432
Energy: 0.8399690278395477
Energy: 0.7079206117040432
Energy: 0.817564152290129
Energy: 0.7208684624569489
Energy: 0.8497327676139861
Energy: 0.7208684624569489
Energy: 0.816625673055235
Energy: 0.7079051908855156
Energy: 0.8072239553501557
Energy: 0.7079051908845964
Energy: 0.8329413071906596
Energy: 0.7226668249492634
Energy: 0.8363511583896256
Energy: 0.7226668249483439
Energy: 0.8124002042489831
Energy: 0.7073631111312294
Energy: 0.8547730616310573
Energy: 0.7073631111312294
Energy: 0.8326096666425657
Energy: 0.7685542342297282
Energy: 0.8251712317679969
Energy: 0.7685542342297282
Energy: 0.8445285465880799
Energy: 0.7248271147726407
Energy: 0.8111780362403677
Energy: 0.7248271147726407
Energy: 0.8223494129729937
Energy: 0.7611359643400044
Energy: 0.8296866632390787
Energy: 0.7611359643400044
Energy: 0.831712877190235
Energy: 0.7240744051687902
Energy: 0.82915168009944
Energy: 0.7240744051697094
Energy: 0.8416272349795557
Energy: 0.7644680718194751
Energy: 0.8161860576033239
Energy: 0.7644680718194751
Energy: 0.8268960228249509
Energy: 0.7567927680248477
Energy: 0.8296455196319626
Energy: 0.7567927680239284
Energy: 0.8127910197124069
Energy: 0.7604417854071726
Energy: 0.8353175961059986
Energy: 0.7604417854062531
Energy: 0.8642574292559697
Energy: 0.7585312197198015
Energy: 0.8306718485804124
Energy: 0.7585312197198015
Energy: 0.8626557300161576
Energy: 0.726524452333507
Energy: 0.8158115115413613
Energy: 0.7265244523344263
Energy: 0.826799525036913
Energy: 0.7568405729507705
Energy: 0.8296754857840464
Energy: 0.7568405729507705
Energy: 0.8222463675133063
Energy: 0.7074847290538496
Energy: 0.8352004081664001
Energy: 0.7074847290547689
Energy: 0.830936721466881
Energy: 0.7241072248122151
Energy: 0.8305223671967176
Energy: 0.7241072248131344
Energy: 0.8416319094437902
Energy: 0.7076654344277645
Energy: 0.8249465692532104
Energy: 0.7076654344268453
Energy: 0.8417457658821655
Energy: 0.7247366356366126
Energy: 0.8111586554740797
Energy: 0.7247366356366126
Energy: 0.83314238140405
Energy: 0.7072146566669829
Energy: 0.8297012927690584
Energy: 0.7072146566669829
Energy: 0.8124978062143531
Energy: 0.7075072588077563
Energy: 0.854578403739403
Energy: 0.7075072588086758
Energy: 0.8351784516286999
Energy: 0.7070530715769339
Energy: 0.849898516151335
Energy: 0.7070530715769339
Energy: 0.8148823046083971
Energy: 0.7073788973956406
Energy: 0.8071686974872798
Energy: 0.7073788973965599
Energy: 0.8525159739016063
Energy: 0.7226505387866188
Energy: 0.8359937474500423
Energy: 0.7226505387866188
Energy: 0.8296807877807633
Energy: 0.7065795447082431
Energy: 0.8369424924271385
Energy: 0.7065795447091625

minimum gb energy = 0.6706780241959931 eV
minimum distance =  2.32513995835493 Angstroms
sigma value = 113


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

Energy: 0.014950600372750564
Energy: 0.015169656154123842
Energy: 1.4752355581569199
Energy: 0.015169656154123842
Energy: 0.015606254575540027
Energy: 0.6811032468876845
Energy: 0.0156062545762468
Energy: 0.6811032468876845
Energy: 1.4752355581569199
Energy: 0.015169656154123842
Energy: 0.014950600372750564
Energy: 0.015169656154123842
Energy: 0.015606254575540027
Energy: 0.6811032468883912
Energy: 0.015606254575540027
Energy: 0.6811032468876845
Energy: 0.014950600372750564
Energy: 0.015169656154123842
Energy: 1.4752355581569199
Energy: 0.015169656154123842
Energy: 0.015606254575540027
Energy: 0.6811032468876845
Energy: 0.015606254575540027
Energy: 0.6811032468876845

minimum gb energy = 0.014950600372750564 eV
minimum distance =  2.45802776536313 Angstroms
sigma value = 1