Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9173715263605122
cohesive_energy=5.770453840965413
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018953246272948338
Energy: 0.11365366345491659
Energy: 1.2798254228031218
Energy: 0.020303661181994934
Energy: 0.11365366345337356
Energy: 1.2142040716110483
Energy: 0.020303661181994934
Energy: 1.2142040716162708
Energy: 1.2798254228020833
Energy: 0.020303661181994934
Energy: 0.018953246272948338
Energy: 0.11365366345491659
Energy: 0.020303661181994934
Energy: 1.2142040716110483
Energy: 0.11365366345441213
Energy: 1.2142040716094755

minimum gb energy = 0.018953246272948338 eV
minimum distance =  2.64811926871802 Angstroms
sigma value = 1


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

Energy: 2.177581490868721
Energy: 1.4807136238434477
Energy: 1.5183409693959355
Energy: 1.4024828665012625
Energy: 1.5136739602363327
Energy: 1.4045350809911832
Energy: 1.480133925287044
Energy: 1.4045350809918309
Energy: 1.4287640642087218
Energy: 1.4345870795534588
Energy: 2.3754227145350613
Energy: 1.43458707955605
Energy: 1.4579060920268998
Energy: 1.4047153752779475
Energy: 1.4761746109969
Energy: 1.40471537511347
Energy: 2.0110553935172626
Energy: 1.4053656719317538
Energy: 1.4110304227266062
Energy: 1.4053656719317538
Energy: 1.4224161569956817
Energy: 1.384588279850672
Energy: 1.338284954913093
Energy: 1.384588279850672
Energy: 1.5327449993673388
Energy: 1.3874256459195649
Energy: 2.0101536144389276
Energy: 1.387425645918917
Energy: 1.3472904968891772
Energy: 1.3621467146920176
Energy: 1.4716896424432133
Energy: 1.3621467146926656
Energy: 1.7296270890723293
Energy: 1.364136928901695
Energy: 1.7677893741180883
Energy: 1.3641369289023426
Energy: 1.3576542220062806
Energy: 1.6935458304873743
Energy: 1.3493559152410477
Energy: 1.6935458304873743
Energy: 1.842586276885594
Energy: 1.3631084556019262
Energy: 1.6991370337101193
Energy: 1.3631084556019262
Energy: 1.3491771731233295
Energy: 1.6957374396729321
Energy: 1.3682606774925927
Energy: 1.6957374396729321
Energy: 1.4469319005264012
Energy: 1.3881302495166081
Energy: 2.1820904358018947
Energy: 1.3881302495166081
Energy: 1.5249335924054788
Energy: 1.381756878920944
Energy: 1.3561629825811372
Energy: 1.381756878923535
Energy: 2.180214154942913
Energy: 1.405767846675874
Energy: 1.3262208053925981
Energy: 1.405767846675874
Energy: 1.3529482651234503
Energy: 1.404677548308218
Energy: 1.4881523459279762
Energy: 1.4046775483088656
Energy: 1.510659567573558
Energy: 1.4726805112563999
Energy: 2.570775489483901
Energy: 1.4726805112576953
Energy: 1.4797788157861174
Energy: 1.4056210874376045
Energy: 1.559821920351534
Energy: 1.4056210874382522
Energy: 2.3768028482367933
Energy: 1.412715225397472
Energy: 1.5111928428359716
Energy: 1.412715225397472
Energy: 1.6142372852153326
Energy: 1.470932247039832
Energy: 1.4380759809743755
Energy: 1.47093224704048
Energy: 1.4934100526380576
Energy: 1.3660514329844209
Energy: 2.0115224399355025
Energy: 1.3660514329831255
Energy: 1.337352444519157
Energy: 1.3853803843207517
Energy: 1.4226477367486285
Energy: 1.3853803843220471
Energy: 2.0104784220566505
Energy: 1.388725827942885
Energy: 1.598966215544069
Energy: 1.388725827942885
Energy: 1.4720907432307457
Energy: 1.4204911051016909
Energy: 1.420622844639983
Energy: 1.4204911051010431
Energy: 1.538347121849369
Energy: 1.3634489992165582
Energy: 1.477245899738444
Energy: 1.3634489992159102
Energy: 1.4109771190893488
Energy: 1.4742729616259496
Energy: 1.3596569181232598
Energy: 1.4742729616240065
Energy: 1.699556377116915
Energy: 1.364896912501799
Energy: 1.6368170075345256
Energy: 1.364896912501151
Energy: 1.3657839599661106
Energy: 1.3600323732736717
Energy: 1.4381969775346937
Energy: 1.3600323732730237
Energy: 1.7966365857585864
Energy: 1.3916425323892616
Energy: 1.446088624530161
Energy: 1.391642532388614
Energy: 1.3465457361340032
Energy: 1.3836628831630386
Energy: 1.4288655808792678
Energy: 1.3836628831630386
Energy: 1.3473899529500655
Energy: 1.4044394302378864
Energy: 1.3526179576653956
Energy: 1.4044394302385341
Energy: 1.4861939271355658
Energy: 1.403471951780064
Energy: 1.3692395756413882
Energy: 1.403471951780712
Energy: 2.009259559431316
Energy: 1.4699668827925128
Energy: 1.4285616126439
Energy: 1.4699668827944559

minimum gb energy = 1.3262208053925981 eV
minimum distance =  2.5207110801198 Angstroms
sigma value = 1


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

Energy: 2.45722326149369
Energy: 1.4842238462570128
Energy: 1.6054687426628507
Energy: 1.3797772778750164
Energy: 1.6027457204666395
Energy: 1.4661456071787167
Energy: 1.5641553914906337
Energy: 1.466145607167705
Energy: 1.5021272411243818
Energy: 1.533666287646004
Energy: 2.2465846721687597
Energy: 1.5336662876452654
Energy: 1.519126935133125
Energy: 1.4605848021204129
Energy: 1.5605509370458674
Energy: 1.4605848021218903
Energy: 2.2465314689340743
Energy: 1.4807517715613425
Energy: 1.4862052281476301
Energy: 1.4807517715613425
Energy: 1.4947575191610156
Energy: 1.459545557994155
Energy: 1.410232152926568
Energy: 1.4595455579889847
Energy: 1.6385942222653738
Energy: 1.4587097678582273
Energy: 1.855158974418141
Energy: 1.4587097678604433
Energy: 1.4155279597974197
Energy: 1.773616166797789
Energy: 1.4326994021988018
Energy: 1.7736161667948347
Energy: 1.8566388118256445
Energy: 1.4396485116847435
Energy: 1.7163192023140432
Energy: 1.4396485116862205
Energy: 1.4278435890517625
Energy: 1.7473977466341184
Energy: 1.4300225776504516
Energy: 1.7473977466326411
Energy: 2.036068684260515
Energy: 1.4618829518273027
Energy: 1.545295226330611
Energy: 1.4618829518295184
Energy: 1.4229517249008894
Energy: 1.4562223682042919
Energy: 1.4958308014407193
Energy: 1.456222368202076
Energy: 1.3901731085766962
Energy: 1.4596092933753528
Energy: 2.0340277762579095
Energy: 1.45960929337683
Energy: 1.5713900093029707
Energy: 1.4795946962081232
Energy: 1.4334348588808472
Energy: 1.479594696208862
Energy: 2.46015506153785
Energy: 1.553147808518657
Energy: 1.5942474519990288
Energy: 1.5531478085208725
Energy: 1.5513209300934263
Energy: 1.4614609291398377
Energy: 1.5638195167388032
Energy: 1.461460929137622
Energy: 1.5953531678998605
Energy: 1.5352146904531239
Energy: 2.2485101757434216
Energy: 1.5352146904553394
Energy: 1.5179960806556052
Energy: 1.4631315730288628
Energy: 1.6010061629079129
Energy: 1.4631315730111367
Energy: 2.2481578002491247
Energy: 1.4946648637801399
Energy: 1.580289645302046
Energy: 1.494664863777924
Energy: 1.4967264411817256
Energy: 1.459536498540778
Energy: 1.401341991522647
Energy: 1.459536498539301
Energy: 1.711352857287135
Energy: 1.4591385335624316
Energy: 1.855867268424415
Energy: 1.4591385335624316
Energy: 1.4576155733700609
Energy: 1.5038048826146657
Energy: 1.4335207885542267
Energy: 1.5038048826124502
Energy: 1.8568808837155062
Energy: 1.4388628043999236
Energy: 1.784453556767316
Energy: 1.4388628044006624
Energy: 1.4276871100067947
Energy: 1.5773190820970286
Energy: 1.4997950041583297
Energy: 1.577319082099983
Energy: 1.7529955063217626
Energy: 1.4592742013206745
Energy: 1.5446005668166718
Energy: 1.4592742013228903
Energy: 1.414677180509867
Energy: 1.4559116328943666
Energy: 1.496133548048525
Energy: 1.455911632895105
Energy: 1.4210576407325215
Energy: 1.4584952737542893
Energy: 1.7741804053399077
Energy: 1.4584952737565047
Energy: 1.561212328485283
Energy: 1.460236747512291
Energy: 1.4330532915477658
Energy: 1.4602367475130296
Energy: 1.9840377636263067
Energy: 1.5145110984870325
Energy: 1.5005375425201748
Energy: 1.5145110985173142

minimum gb energy = 1.3797772778750164 eV
minimum distance =  2.442816525954 Angstroms
sigma value = 25


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

Energy: 2.2971563012235743
Energy: 1.6215666518341916
Energy: 1.7187152041586058
Energy: 1.5133293475879879
Energy: 1.6952706579672958
Energy: 1.6054911462411465
Energy: 1.65264529544148
Energy: 1.6054911462411465
Energy: 1.563751953784139
Energy: 1.6212508432769046
Energy: 2.0665762522747495
Energy: 1.6212508432769046
Energy: 1.5597413694824673
Energy: 1.537046503133774
Energy: 1.6561703728385802
Energy: 1.5370465031311982
Energy: 2.0706514197458175
Energy: 1.5352413411160473
Energy: 1.576490223109241
Energy: 1.5352413411160473
Energy: 1.574602465046955
Energy: 2.0060391419832273
Energy: 1.4876792088810118
Energy: 2.0060391419823693
Energy: 1.7537729003876992
Energy: 1.544109031230823
Energy: 1.7182885680079028
Energy: 1.5441090312299641
Energy: 1.5027271004459886
Energy: 1.8194149251631062
Energy: 1.502943552549061
Energy: 1.8194149251622478
Energy: 1.6685553494928667
Energy: 1.5432739308089238
Energy: 1.8426328622579582
Energy: 1.5432739308089238
Energy: 1.573045969399987
Energy: 1.5393678094050933
Energy: 1.5028897606491745
Energy: 1.5393678094050933
Energy: 2.30333081003437
Energy: 1.5349629369545343
Energy: 1.4434279912286487
Energy: 1.5349629369545343
Energy: 1.5002192669552172
Energy: 1.5374781227043655
Energy: 1.6513833079084947
Energy: 1.537478122705224
Energy: 1.6923594348602
Energy: 1.7044468288956593
Energy: 2.3010998024390137
Energy: 1.704446828879346
Energy: 1.6559334220923418
Energy: 1.574534137373248
Energy: 1.6373499831623934
Energy: 1.5745341373723896
Energy: 2.1197346216145005
Energy: 1.6203228223573232
Energy: 1.5679367789075866
Energy: 1.6203228223564645
Energy: 1.7036907296125827
Energy: 1.536134009370644
Energy: 1.5860810819858857
Energy: 1.5361340093749367
Energy: 1.6858009940824892
Energy: 1.5353574077774197
Energy: 2.0697414767268754
Energy: 1.5353574077782781
Energy: 1.511709549176495
Energy: 2.0067872438807792
Energy: 1.577715905935487
Energy: 2.0067872438807792
Energy: 1.7530071097525703
Energy: 1.5416671039401457
Energy: 1.616033978794257
Energy: 1.5416671039401457
Energy: 1.5066069756926384
Energy: 1.6027827178711251
Energy: 1.5485868972041292
Energy: 1.6027827178702667
Energy: 1.9610605298862231
Energy: 1.5597976240370275
Energy: 1.6675862718133676
Energy: 1.5597976240370275
Energy: 1.5929055457910597
Energy: 1.539139652241152
Energy: 1.56892688629767
Energy: 1.539139652241152
Energy: 1.464249571953293
Energy: 1.535329960782324
Energy: 1.9384863286085134
Energy: 1.535329960782324
Energy: 1.650246977818428
Energy: 1.5373760052887233
Energy: 1.5002494631578163
Energy: 1.5373760052887233
Energy: 1.491439583718386
Energy: 1.5563526963984031
Energy: 1.5846615037897556
Energy: 1.5563526963984031

minimum gb energy = 1.4434279912286487 eV
minimum distance =  2.44701929681645 Angstroms
sigma value = 9


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

Energy: 2.0567191982020425
Energy: 1.749055976854372
Energy: 1.8343502108684553
Energy: 1.5876752462566983
Energy: 1.8024468306250347
Energy: 1.683520267372053
Energy: 1.7467983267386233
Energy: 1.6835202673741014
Energy: 1.6448342772801539
Energy: 1.7138330029698965
Energy: 2.4862563704028537
Energy: 1.7138330029698965
Energy: 1.6155488448344142
Energy: 1.7170822677314959
Energy: 1.7470301443631333
Energy: 1.7170822677652955
Energy: 1.8218602896273444
Energy: 1.6184026358416483
Energy: 1.6776822757150598
Energy: 1.6184026358416483
Energy: 1.6580954709169384
Energy: 1.6275227726512855
Energy: 1.653586040161381
Energy: 1.6275227726523098
Energy: 1.5852806649946678
Energy: 1.6570576174480762
Energy: 1.825301192115341
Energy: 1.6570576174480762
Energy: 1.577407160820589
Energy: 1.8829388775529214
Energy: 1.646415218369338
Energy: 1.8829388775529214
Energy: 1.5181221464579329
Energy: 1.618147626361672
Energy: 2.0642417664477084
Energy: 1.6181476263606476
Energy: 1.7502467840983915
Energy: 1.6151383930420145
Energy: 1.571193595428312
Energy: 1.615138393038942
Energy: 2.0609251523613
Energy: 1.6994658230650128
Energy: 1.6439778356801258
Energy: 1.6994658230639887
Energy: 1.7123315715138439
Energy: 1.6540323662160812
Energy: 1.802621853281434
Energy: 1.6540323662150567
Energy: 1.649839919683744
Energy: 1.714207386582456
Energy: 2.487671042402297
Energy: 1.7142073865834804
Energy: 1.6777701677969445
Energy: 1.9630702329336818
Energy: 1.7121750371891444
Energy: 1.9630702329326577
Energy: 1.8225618884742456
Energy: 1.6183511699142954
Energy: 1.810941810348016
Energy: 1.61835116991532
Energy: 1.653428943855215
Energy: 2.009081286245447
Energy: 1.5481923368424932
Energy: 2.009081286245447
Energy: 1.7752042735457656
Energy: 1.6627813270581642
Energy: 1.8249222075707996
Energy: 1.6627813270591887
Energy: 1.7711469226361305
Energy: 1.7278336152308984
Energy: 1.6460066421414372
Energy: 1.7278336152308984
Energy: 1.5161245840909143
Energy: 1.6186233436116089
Energy: 1.8505082153920003
Energy: 1.6186233436116089
Energy: 1.749147869556505
Energy: 1.615196783793927
Energy: 1.55290612910291
Energy: 1.615196783793927
Energy: 2.2187345135534016
Energy: 1.6518660775833611
Energy: 1.677044587154876
Energy: 1.6518660775833611

minimum gb energy = 1.5161245840909143 eV
minimum distance =  2.44787978712856 Angstroms
sigma value = 25


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

Energy: 1.696997596749539
Energy: 1.7470106903589342
Energy: 1.7486486154323817
Energy: 1.6557029174184883
Energy: 2.1338371347536333
Energy: 1.7170325079849527
Energy: 1.8389370827508762
Energy: 1.717032507983686
Energy: 1.7104205302628124
Energy: 1.709408500516351
Energy: 2.1932048626470024
Energy: 1.709408500516351
Energy: 1.707106470364371
Energy: 1.9269844083962921
Energy: 1.838924310340249
Energy: 1.9269844083962921
Energy: 1.576555310300398
Energy: 1.724014726803367
Energy: 1.7415051692020318
Energy: 1.7240147268021002
Energy: 1.7818722562365708
Energy: 1.901703270898545
Energy: 1.7182410250650149
Energy: 1.901703270898545
Energy: 1.70512962085904
Energy: 1.7302549228107187
Energy: 1.5790488055956904
Energy: 1.7302549228107187
Energy: 1.7731426850043224
Energy: 1.607490658290942
Energy: 1.6364676709513415
Energy: 1.6074906582896753
Energy: 1.7587007923336428
Energy: 1.620276820118998
Energy: 2.272548276916698
Energy: 1.620276820107598
Energy: 1.916702970472582
Energy: 1.619329541346678
Energy: 1.7774463540400212
Energy: 1.6193295413454112
Energy: 2.198296921070365
Energy: 1.7083236072435264
Energy: 1.7142742624211762
Energy: 1.7083236072435264
Energy: 1.8752187856378875
Energy: 1.9904206734801118
Energy: 1.7070190025988674
Energy: 1.9904206734801118
Energy: 1.6482646676866883
Energy: 1.6372010694205488
Energy: 1.577885873200457
Energy: 1.637201069421815
Energy: 1.8077597331507735
Energy: 1.7398601476176154
Energy: 1.7826718862866553
Energy: 1.7398601476176154
Energy: 1.5774022593886654
Energy: 1.717238665939725
Energy: 1.9766229313335641
Energy: 1.7172386659409915
Energy: 1.636166889207153
Energy: 1.6051594435164456
Energy: 1.9742054524982098
Energy: 1.605157808999074
Energy: 1.7821490372368074
Energy: 1.6196017070666064
Energy: 1.7619345789039271
Energy: 1.6196017070666064

minimum gb energy = 1.576555310300398 eV
minimum distance =  2.46066677779779 Angstroms
sigma value = 17


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

Energy: 2.5450492961671247
Energy: 1.9333603974290168
Energy: 1.9148823381604914
Energy: 1.732513345527059
Energy: 2.0356152145450226
Energy: 2.0510590599887215
Energy: 1.9720901786087206
Energy: 2.0510590599887215
Energy: 1.591387482830126
Energy: 1.592918986951304
Energy: 2.2640494046849966
Energy: 1.592918986934087
Energy: 1.6939509240473023
Energy: 1.9041275287258779
Energy: 1.9180837453543866
Energy: 1.9041275287265955
Energy: 1.7882394437128581
Energy: 1.8307061206164321
Energy: 1.589015181757091
Energy: 1.8307061206171493
Energy: 1.9047154975131413
Energy: 1.960168652193188
Energy: 1.7970713775221772
Energy: 1.9601686521939057
Energy: 1.9857259005581476
Energy: 1.7137947954711406
Energy: 1.7195916836276348
Energy: 1.713794795471858
Energy: 1.9156023158798858
Energy: 1.6841212337062605
Energy: 1.8199941788438518
Energy: 1.6841212337041087
Energy: 1.902958118657784
Energy: 1.9876254730839438
Energy: 2.3224841264675535
Energy: 1.9876254730846612
Energy: 1.8765429086100842
Energy: 2.030684407688703
Energy: 1.9540526740377566
Energy: 2.0306844076879855
Energy: 1.7860540467698713
Energy: 1.7004480711002767
Energy: 1.7348277721159777
Energy: 1.7004480710995593
Energy: 1.922789278344023
Energy: 1.9725441772255141
Energy: 1.5636155767799378
Energy: 1.972544177226949
Energy: 2.0776145271049007
Energy: 1.6572673849050144
Energy: 1.5264380390531107
Energy: 1.6572673849035797
Energy: 1.9868751703759695
Energy: 1.9022434520296472
Energy: 1.8032902544768248
Energy: 1.902243452027495
Energy: 1.9022585156155234
Energy: 1.960804821036803
Energy: 2.3303713661333183
Energy: 1.9608048210375206
Energy: 2.004571578166683
Energy: 1.9310637452711998
Energy: 2.3221813095832524
Energy: 1.9310637452711998
Energy: 2.2785920310827685
Energy: 1.9064757290798062
Energy: 1.8491503322586764
Energy: 1.9064757290798062
Energy: 2.220698368346243
Energy: 1.701459920751073
Energy: 1.59146702378742
Energy: 1.7014599207503558
Energy: 1.9031993756065528
Energy: 1.875433693128875
Energy: 1.902852396028157
Energy: 1.875433693128875
Energy: 1.5873552715723989
Energy: 1.864299447071469
Energy: 1.9395377839635215
Energy: 1.8642994470707517
Energy: 1.6355950271053847
Energy: 2.179699038697798
Energy: 1.91184387882376
Energy: 2.1796990386985153
Energy: 1.719905822477242
Energy: 1.5934079315727385
Energy: 1.9787346850957102
Energy: 1.5934079315741734
Energy: 1.9223999108922758
Energy: 2.010310745936661
Energy: 1.9772417855424977
Energy: 2.0103107459380958
Energy: 2.2648358478929795
Energy: 1.9870613940853952
Energy: 1.8907759671761526
Energy: 1.9870613940832431
Energy: 1.8067921456558993
Energy: 2.056957852282697
Energy: 1.8005820815969653
Energy: 2.05695785228198
Energy: 1.653281624147697
Energy: 1.6394112858308567
Energy: 1.7922481342030365
Energy: 1.6394112858322916
Energy: 1.8136870532679195
Energy: 2.075750839054936
Energy: 1.9417467890423399
Energy: 2.0757508390563713
Energy: 1.5321920715597028
Energy: 1.6724104328596878
Energy: 1.9832293027672978
Energy: 1.6724104328668616
Energy: 1.980446068713371
Energy: 1.9229974432769852
Energy: 1.813844756957486
Energy: 1.9229974432777024
Energy: 2.5468165788240436
Energy: 1.932534414061816
Energy: 1.8997159598909739
Energy: 1.9325344140747287

minimum gb energy = 1.5264380390531107 eV
minimum distance =  2.50316069453992 Angstroms
sigma value = 53


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

Energy: 2.2256466417420695
Energy: 1.9745357106355232
Energy: 1.7062663387603139
Energy: 1.8658084328071927
Energy: 1.6763542920812378
Energy: 1.710577622158163
Energy: 2.04272036570717
Energy: 1.7105776221432993
Energy: 1.7060956857067109
Energy: 1.9749640418976222
Energy: 1.7762899972262427
Energy: 1.9749640418976222
Energy: 1.8375754428382716
Energy: 2.0913716376707785
Energy: 2.041520715455679
Energy: 2.0913716376691265
Energy: 1.78281961278815
Energy: 1.4109418277119476
Energy: 1.3280672386630072
Energy: 1.4109418277119476
Energy: 1.6506157197849551
Energy: 1.6367709925142018
Energy: 1.472735581173382
Energy: 1.6367709925125504
Energy: 2.234911056857877
Energy: 1.7279624860378553
Energy: 1.725938151240289
Energy: 1.727962486039507
Energy: 1.9644694062730435
Energy: 2.197912668073143
Energy: 2.0542735090902187
Energy: 2.197912668073143
Energy: 1.7336961502126327
Energy: 1.9726084869274476
Energy: 1.779095081442303
Energy: 1.9726084869258336
Energy: 1.6752797372835528
Energy: 1.7114933175855267
Energy: 2.0412401793199617
Energy: 1.7114933175855267
Energy: 1.7804954255618521
Energy: 1.6368055715445067
Energy: 1.4746427008711316
Energy: 1.6368055715461582
Energy: 1.716568213479942
Energy: 1.6368660502737684
Energy: 1.3323521974518517
Energy: 1.6368660502737684
Energy: 2.0427602035313823
Energy: 1.8378744273691843
Energy: 1.7303438019828774
Energy: 1.8378744273906544

minimum gb energy = 1.3280672386630072 eV
minimum distance =  2.48013972567799 Angstroms
sigma value = 9


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

Energy: 2.121292560823583
Energy: 2.069493665895602
Energy: 2.0465933631030278
Energy: 1.9997100561975967
Energy: 2.0312314866371817
Energy: 2.099438719086698
Energy: 2.118389342214758
Energy: 2.099438719085475
Energy: 1.5610119514138407
Energy: 1.9261659601658816
Energy: 1.9507671967000006
Energy: 1.9261659601664929
Energy: 1.6884532321267127
Energy: 1.9944423153053232
Energy: 2.1127277201878205
Energy: 1.9944423153065458
Energy: 1.5605524937262343
Energy: 1.590907866453188
Energy: 2.210141734018038
Energy: 1.590907866451354
Energy: 1.6914612475214728
Energy: 1.8728590783638415
Energy: 2.128074172598926
Energy: 1.8728590783644528
Energy: 2.3661261383649017
Energy: 2.127562438020452
Energy: 2.0446550566062456
Energy: 2.1275624380198406
Energy: 2.3535461642118443
Energy: 2.166863350391749
Energy: 2.0135383756809913
Energy: 2.1668633503929717
Energy: 1.7854489727906122
Energy: 1.9484025584372617
Energy: 1.6745904970172838
Energy: 1.9484025584372617
Energy: 1.4742800233123723
Energy: 1.9150503036732385
Energy: 2.051769333427854
Energy: 1.91505030367385
Energy: 1.748468447150773
Energy: 1.9199673791634753
Energy: 2.2641806507832074
Energy: 1.9199673791634753
Energy: 1.8830833672290705
Energy: 1.961434536549551
Energy: 2.127613174728072
Energy: 1.9614345365483286
Energy: 2.3456746226907343
Energy: 2.1791395159331177
Energy: 1.9620762521238106
Energy: 2.1791395159337292
Energy: 2.3702841886092827
Energy: 1.9076738965485318
Energy: 1.7632673444279297
Energy: 1.9076738965473092
Energy: 2.0506784728752283
Energy: 2.1134516326380943
Energy: 1.8537113457052294
Energy: 2.1134516326380943
Energy: 1.7787841955694923
Energy: 1.8747605697888436
Energy: 1.6372555939566307
Energy: 1.8747605697894547
Energy: 1.984466115935971
Energy: 2.001563871758952
Energy: 2.103811716580878
Energy: 2.00156387175773
Energy: 2.0002273591302586
Energy: 2.0828594107381053
Energy: 2.1225169424688772
Energy: 2.082859410736883
Energy: 2.08659763123831
Energy: 2.1287033590172766
Energy: 1.985909218905729
Energy: 2.128703359017888
Energy: 1.9495502484110265
Energy: 1.919163366806402
Energy: 1.5525078324601402
Energy: 1.919163366808236
Energy: 2.172488712256041
Energy: 1.923685676307572
Energy: 1.5937818506362147
Energy: 1.923685676307572
Energy: 2.2073487586873166
Energy: 1.6417361894744145
Energy: 1.5594532825484184
Energy: 1.6417361894731919
Energy: 2.135534768018824
Energy: 1.858830603365613
Energy: 1.7083760762596667
Energy: 1.8588306033650017
Energy: 2.042917569729279
Energy: 2.0203796277357577
Energy: 2.3707002214173714
Energy: 2.0203796277400365
Energy: 2.0077015461657655
Energy: 2.165947712818309
Energy: 2.3827179548435824
Energy: 2.165947712818309
Energy: 1.6757969714724064
Energy: 1.951775512417237
Energy: 1.7824968499092408
Energy: 1.9517755124178482
Energy: 2.0160324799105642
Energy: 1.6979509380929698
Energy: 1.4725869648737628
Energy: 1.6979509381045839
Energy: 2.183872501801349
Energy: 1.9884982183972584
Energy: 1.7084895862044576
Energy: 1.988498218396647
Energy: 2.124314085021752
Energy: 2.045185753379879
Energy: 1.7608384278008116
Energy: 2.045185753378656
Energy: 1.9630841534338532
Energy: 2.1374510539111613
Energy: 2.378702875783094
Energy: 2.1374510539111613
Energy: 1.7590278917778301
Energy: 1.9082564357161291
Energy: 1.9553810096734805
Energy: 1.9082564357167404
Energy: 1.7652694781953615
Energy: 1.9734048607696484
Energy: 2.0539877993178783
Energy: 1.973404860769037
Energy: 1.6365523637115318
Energy: 1.894887431505336
Energy: 1.78307907442642
Energy: 1.8948874315047248
Energy: 2.1195094760441204
Energy: 2.0025332459812617
Energy: 1.9096278217957947
Energy: 2.002533245978817
Energy: 2.1252523736839213
Energy: 2.0121308334942523
Energy: 1.99961094622256
Energy: 2.0121308334936407

minimum gb energy = 1.4725869648737628 eV
minimum distance =  2.46534233039341 Angstroms
sigma value = 73


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

Energy: 1.9833888028844995
Energy: 1.9327596262267428
Energy: 1.8966763453102393
Energy: 1.8250239813750853
Energy: 1.9845295424589715
Energy: 2.1130774703222173
Energy: 2.1393902750052773
Energy: 2.1130774703222173
Energy: 1.673839102763176
Energy: 2.0604266789141916
Energy: 1.7342206054678002
Energy: 2.0604266789141916
Energy: 1.6576226076017355
Energy: 1.8807728803327117
Energy: 2.0066356749358
Energy: 1.8807728803336816
Energy: 1.6135760321649781
Energy: 1.8752240520979437
Energy: 2.1752591696738697
Energy: 1.8752240520979437
Energy: 1.819808646032966
Energy: 1.8409738122375217
Energy: 2.177933375480605
Energy: 1.8409738122375217
Energy: 2.370080043096862
Energy: 2.0118981833108425
Energy: 1.878238858372424
Energy: 2.0118981833108425
Energy: 2.135912961293926
Energy: 1.890388310006979
Energy: 1.922008249796152
Energy: 1.890388310006979
Energy: 1.9733241458697144
Energy: 1.9156489541822666
Energy: 1.7391098208393474
Energy: 1.9156489541822666
Energy: 1.4818336121317703
Energy: 1.9166119769938035
Energy: 1.8296210725113258
Energy: 1.9166119769938035
Energy: 1.8975008192074119
Energy: 1.967750913808031
Energy: 2.0822798657795976
Energy: 1.967750913808031
Energy: 1.9761362814088632
Energy: 2.036305339833632
Energy: 1.9899446611319842
Energy: 2.0363053398917765
Energy: 1.8430673310061423
Energy: 1.9480355088299646
Energy: 1.98552454925366
Energy: 1.9480355088299646
Energy: 1.7339930388777853
Energy: 1.926328569227348
Energy: 1.6037151562574175
Energy: 1.926328569227348
Energy: 2.017434878759894
Energy: 2.0046331614264976
Energy: 1.633530055064169
Energy: 2.0046331614264976
Energy: 1.991689014354783
Energy: 1.9412358051282994
Energy: 1.6122705800490194
Energy: 1.9412358051282994
Energy: 2.064353313804658
Energy: 2.055321016347712
Energy: 1.816181470894178
Energy: 2.055321016347712
Energy: 1.879078280743174
Energy: 2.0469238345159395
Energy: 2.3637233474950743
Energy: 2.0469238345149696
Energy: 1.9329405667830835
Energy: 1.9709084013964953
Energy: 2.0398913612966796
Energy: 1.9709084014400924
Energy: 1.7366137187832635
Energy: 1.8121801161390236
Energy: 1.9711868803171404
Energy: 1.8121801161390236
Energy: 1.9037967642464149
Energy: 1.9974819196755655
Energy: 1.5567214405932281
Energy: 1.9974819196755655
Energy: 1.9886496618381349
Energy: 1.9679954145990353
Energy: 1.8928761398616776
Energy: 1.9679954145990353

minimum gb energy = 1.4818336121317703 eV
minimum distance =  2.44334748899811 Angstroms
sigma value = 7


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

Energy: 2.393315913612209
Energy: 1.9628597163672232
Energy: 1.9480974805215727
Energy: 1.8750554488694953
Energy: 2.088139177058927
Energy: 2.1098900543036585
Energy: 2.013485743311177
Energy: 2.10989005430503
Energy: 1.6530194250525394
Energy: 1.8980262209419103
Energy: 1.6936307496758476
Energy: 1.8980262209439676
Energy: 1.6203144114059276
Energy: 1.8823529360762115
Energy: 1.9486850585022362
Energy: 1.8823529360789544
Energy: 1.747135958444887
Energy: 1.9574715246963734
Energy: 1.880523907681554
Energy: 1.957471524697745
Energy: 1.8858266644455028
Energy: 1.9959081918945425
Energy: 1.882793700805535
Energy: 1.9959081918890567
Energy: 2.1390078161963952
Energy: 2.087946024529677
Energy: 1.8991486607274828
Energy: 2.0879460245310484
Energy: 2.122137540988731
Energy: 1.9188241748736246
Energy: 1.7635135718480548
Energy: 1.9188241748736246
Energy: 1.9474285351952219
Energy: 1.9081875756424498
Energy: 1.5757690576075907
Energy: 1.9081875756438214
Energy: 1.869493827376618
Energy: 1.944861070529498
Energy: 1.8461582948308408
Energy: 1.9448610705315554
Energy: 2.0732323518573432
Energy: 2.147461273223847
Energy: 2.1089320988902513
Energy: 2.147461273221104
Energy: 1.9275717058732018
Energy: 2.111013205155057
Energy: 2.134085370090565
Energy: 2.111013205151629
Energy: 1.766655306858511
Energy: 1.9326265251006907
Energy: 1.8868260580691898
Energy: 1.932626525100005
Energy: 1.7008165800584285
Energy: 1.8965538602311283
Energy: 1.5718858068103059
Energy: 1.8965538602276992
Energy: 1.9890115413884928
Energy: 1.8624606903787124
Energy: 1.6062488849101197
Energy: 1.8624606904643697
Energy: 2.3986508125541466
Energy: 1.9971533400670938
Energy: 1.92600201344241
Energy: 1.9971533400657224
Energy: 2.3712545297891494
Energy: 2.110705941363153
Energy: 2.017615642203693
Energy: 2.110705941363153
Energy: 1.8545198742314748
Energy: 1.8926265524338783
Energy: 1.6916999312107583
Energy: 1.8926265524345638
Energy: 1.5718365981383204
Energy: 1.8204766040002327
Energy: 1.9492723702452932
Energy: 1.8204766040043472
Energy: 1.7248418280959623
Energy: 1.910993602798601
Energy: 2.169551878220451
Energy: 1.9109936027999725
Energy: 1.851569542641025
Energy: 2.071327707839662
Energy: 1.874996348428116
Energy: 2.071327707839662
Energy: 2.109297507955423
Energy: 1.9967438635508235
Energy: 1.8876074175200293
Energy: 1.9967438635508235
Energy: 2.0994395587356616
Energy: 1.844001976711305
Energy: 1.7627463111798158
Energy: 1.844001976711305
Energy: 1.9523606634956203
Energy: 1.8992172700794596
Energy: 1.6219599796578825
Energy: 1.8992172700801453
Energy: 1.8715647364499217
Energy: 1.9304111899115073
Energy: 1.7588497442956967
Energy: 1.9304111899135645
Energy: 1.9709957897583696
Energy: 2.1061113109464578
Energy: 2.116991750092631
Energy: 2.1061113109444007
Energy: 1.9276496063784283
Energy: 2.0404727886383918
Energy: 2.1278893672789474
Energy: 2.0404727886370204
Energy: 1.8852048070388523
Energy: 1.9410669349258765
Energy: 2.1996825085633835
Energy: 1.9410669349238194
Energy: 1.695672332582685
Energy: 1.8744150744905317
Energy: 1.881046214262992
Energy: 1.874415074491903
Energy: 1.9947847447142433
Energy: 1.9392834788969473
Energy: 1.5708098899116922
Energy: 1.9392834789010618
Energy: 2.34242151759014
Energy: 2.069612657720303
Energy: 1.961244952940013
Energy: 2.0696126577216742

minimum gb energy = 1.5708098899116922 eV
minimum distance =  2.4473205081045 Angstroms
sigma value = 29


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

Energy: 1.3461691732962708
Energy: 1.6975230812797202
Energy: 1.63812373881684
Energy: 1.347453709196354
Energy: 1.9391568803014643
Energy: 1.8793523017320477
Energy: 1.3737624376684814
Energy: 1.8793523017297122
Energy: 1.624217617997986
Energy: 1.7754711824566416
Energy: 1.6389947145161405
Energy: 1.7754711824566416
Energy: 1.648182460379359
Energy: 1.374394418061973
Energy: 1.3698348867672991
Energy: 1.374394418061973
Energy: 1.6599940475631103
Energy: 1.624824013112615
Energy: 1.347448618581429
Energy: 1.624824013112615
Energy: 1.6667631434168593
Energy: 1.7293849107805042
Energy: 1.3474654413459313
Energy: 1.7293849107805042
Energy: 1.3600613101261174
Energy: 1.7762895875574387
Energy: 1.9588681145403035
Energy: 1.7762895875574387
Energy: 1.474969942475932
Energy: 1.6262836453786063
Energy: 1.6462384434352568
Energy: 1.6262836453786063
Energy: 1.6697569109956716
Energy: 1.622887043435034
Energy: 1.7371222991780897
Energy: 1.62288704343737

minimum gb energy = 1.3461691732962708 eV
minimum distance =  2.50437813081041 Angstroms
sigma value = 5


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

Energy: 1.9679288142398486
Energy: 2.1167091715274977
Energy: 1.9583623263820942
Energy: 2.089975107996529
Energy: 2.146376030403983
Energy: 1.8122525286816844
Energy: 1.9138705917175745
Energy: 1.8122525286797413
Energy: 1.6950270853203167
Energy: 1.9046827177500611
Energy: 1.6441098840815058
Energy: 1.9046827177487657
Energy: 1.526070149008966
Energy: 1.6596582455519888
Energy: 1.811051816533469
Energy: 1.6596582455539324
Energy: 2.0817831916088876
Energy: 2.0126034124635326
Energy: 2.232481791246976
Energy: 2.012603412466124
Energy: 1.9081138952877883
Energy: 1.819444497058462
Energy: 2.236808063009545
Energy: 1.8194444970571664
Energy: 1.3980958188523749
Energy: 1.4012373410338101
Energy: 1.9973023505885514
Energy: 1.4012373410351058
Energy: 1.426930462399829
Energy: 1.9662074038926713
Energy: 1.9752971210856154
Energy: 1.966207403890728
Energy: 2.073890547907325
Energy: 1.8831136998270566
Energy: 2.064873609306146
Energy: 1.8831136998302953
Energy: 1.7371697722699424
Energy: 2.0541493363639196
Energy: 1.710643157008426
Energy: 2.054149336365863
Energy: 2.0439587221155393
Energy: 1.5089444868956228
Energy: 1.39176728914296
Energy: 1.5089444868943271
Energy: 2.123736832568763
Energy: 1.903781559113788
Energy: 1.6530205450563191
Energy: 1.9037815591150837
Energy: 1.9804022487662227
Energy: 2.079728811346774
Energy: 1.9719768114137268
Energy: 2.079728811346126
Energy: 1.9654470477554509
Energy: 1.9064063697148872
Energy: 1.7460221604585138
Energy: 1.9064063697142393
Energy: 1.6138153051372692
Energy: 1.8832740729264894
Energy: 1.8876023171596803
Energy: 1.8832740729258415
Energy: 1.5080597973886556
Energy: 1.4818936908486895
Energy: 2.0977920439452573
Energy: 1.4818936908499851
Energy: 1.8583140971656964
Energy: 2.092942514389993
Energy: 2.341566331756109
Energy: 2.092942514392584
Energy: 1.8683155274110677
Energy: 1.7892832845371127
Energy: 1.8949313432243298
Energy: 1.7892832845377604
Energy: 1.740599735353349
Energy: 1.8552005424737894
Energy: 1.654622528332524
Energy: 1.8552005424737894
Energy: 1.9289115876498009
Energy: 1.7290279269230189
Energy: 1.520590498374337
Energy: 1.72902792691978
Energy: 2.3079766733888283
Energy: 1.962901687648532
Energy: 2.0431177018063904
Energy: 1.962901687648532
Energy: 2.2308047010340704
Energy: 2.0187973961692465
Energy: 1.9340907026078893
Energy: 2.0187973961698944
Energy: 1.9923773283824926
Energy: 1.4077442347178157
Energy: 1.4102386011059986
Energy: 1.407744234720407
Energy: 1.9779770835015646
Energy: 1.9259236112820057
Energy: 1.4959409100240668
Energy: 1.9259236112794147
Energy: 1.9651841359562172
Energy: 1.9188778333674186
Energy: 2.162201431485321
Energy: 1.9188778333654755
Energy: 1.7425226179339652
Energy: 2.0740193425430062
Energy: 1.7369667202129948
Energy: 2.074019342543654
Energy: 1.386366133065078
Energy: 1.5805752900392687
Energy: 2.0427473428697276
Energy: 1.5805752900405643
Energy: 1.392308186517426
Energy: 1.4674087094650514
Energy: 2.295946519846499
Energy: 1.467408709460517
Energy: 1.8609068396429473
Energy: 2.050740556298898
Energy: 1.9738529768883715
Energy: 2.0507405562995458
Energy: 1.785172909313809
Energy: 1.9029108807327135
Energy: 1.9955262770714897
Energy: 1.9029108807353046
Energy: 1.7841008290487443
Energy: 1.9372388493657684
Energy: 1.4767159441100848
Energy: 1.9372388493657684
Energy: 2.1473848360921552
Energy: 1.3979207931536706
Energy: 1.4731282630099105
Energy: 1.3979207931543183
Energy: 2.475382966219047
Energy: 2.036965676069502
Energy: 1.9149757160325458
Energy: 2.036965676069502

minimum gb energy = 1.386366133065078 eV
minimum distance =  2.42598464327042 Angstroms
sigma value = 1


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

Energy: 1.9522447451797091
Energy: 2.109534708885358
Energy: 1.816126737958048
Energy: 2.058445707448077
Energy: 2.1382910027224122
Energy: 1.5940298155984998
Energy: 1.6755567124633164
Energy: 1.5940298155967085
Energy: 1.6724172544257383
Energy: 1.8373722364089033
Energy: 1.6599785276853831
Energy: 1.8373722364097993
Energy: 1.3535106226011981
Energy: 1.5930839006926214
Energy: 1.9848112151652517
Energy: 1.593083900691726
Energy: 2.0822931227793653
Energy: 1.614574910477617
Energy: 2.3002683741151353
Energy: 1.6145749104749298
Energy: 1.7691192784471272
Energy: 1.9169975557395567
Energy: 2.301066955820202
Energy: 1.916997555738661
Energy: 1.3237303011151624
Energy: 1.4624183383265021
Energy: 1.9386887883469144
Energy: 1.4624183383273979
Energy: 1.3252400099010853
Energy: 1.5733203938485294
Energy: 1.9604760755351027
Energy: 1.5733203932648414
Energy: 2.148625814057952
Energy: 1.864476483424496
Energy: 2.011641090309239
Energy: 1.8644764834262872
Energy: 1.6519783318034424
Energy: 1.9565061779404784
Energy: 1.3276090232838196
Energy: 1.9565061779404784
Energy: 2.153467681061549
Energy: 1.6037456902661082
Energy: 1.324629026228238
Energy: 1.603745690267004
Energy: 2.1084504786813656
Energy: 1.3257535558313898
Energy: 1.5366894657664998
Energy: 1.3257535558322855
Energy: 1.95896995560829
Energy: 1.714615127848617
Energy: 2.0452335215205237
Energy: 1.7146151278459303
Energy: 1.7392006639436812
Energy: 1.5935332061951504
Energy: 1.6778376008776485
Energy: 1.5935332061978371
Energy: 1.3577773489373302
Energy: 1.8848839870032694
Energy: 1.683598315009208
Energy: 1.8848839870032694
Energy: 1.3481052177154251
Energy: 1.6649726300199466
Energy: 1.93616423748397
Energy: 1.6649726300172598
Energy: 1.8660803199666163
Energy: 2.111081213956474
Energy: 2.3001405903651206
Energy: 2.111081213956474
Energy: 1.516079772998543
Energy: 1.3264210339350888
Energy: 2.182751292496502
Energy: 1.3264210339341933
Energy: 1.3311328316539295
Energy: 1.8750021124490002
Energy: 2.067098171958028
Energy: 1.8750021124481044
Energy: 1.325091171951585
Energy: 2.0045631183798096
Energy: 1.9590547302550485
Energy: 2.0045631183816006
Energy: 1.6785724240543685
Energy: 2.0055812887308058
Energy: 1.993479692310431
Energy: 2.00558128872991
Energy: 1.651055834780523
Energy: 1.9962611526043992
Energy: 1.32852206266499
Energy: 1.9962611526043992
Energy: 1.9916612673710363
Energy: 1.3245201491993348
Energy: 1.3264835135187194
Energy: 1.3245201492011263
Energy: 1.9612346868940511
Energy: 1.7194803759469088
Energy: 1.8022434657888404
Energy: 1.719480375946013

minimum gb energy = 1.3237303011151624 eV
minimum distance =  2.43184671970142 Angstroms
sigma value = 17


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

Energy: 2.0763319062836465
Energy: 2.17423385676712
Energy: 1.9515604640635242
Energy: 2.1670813660660357
Energy: 2.180359479418634
Energy: 1.4968890487968005
Energy: 1.5480425388323802
Energy: 1.4968890487961966
Energy: 1.7524531751532955
Energy: 1.8258694352680946
Energy: 1.5131735818685754
Energy: 1.8258694352680946
Energy: 1.6930297170787585
Energy: 1.7580176182898806
Energy: 1.9315623122597456
Energy: 1.758017618287666
Energy: 2.118573408745287
Energy: 1.8701647442118332
Energy: 1.9314268417772666
Energy: 1.870164744210122
Energy: 1.53735296761543
Energy: 1.6998079142919762
Energy: 2.1792076302985373
Energy: 1.6998079142958011
Energy: 1.29478080926506
Energy: 1.292804871885838
Energy: 2.1830378289242605
Energy: 1.2928048718880523
Energy: 1.5537499615527735
Energy: 1.3943592952575727
Energy: 2.078786506212307
Energy: 1.3943593061723898
Energy: 1.9696752011161311
Energy: 1.7638548146480286
Energy: 2.273686807528627
Energy: 1.7638548146486326
Energy: 1.504368604652303
Energy: 1.8595738219340021
Energy: 1.5571232046352754
Energy: 1.8595738219345055
Energy: 1.9601755562415795
Energy: 1.5884574585321267
Energy: 1.3214629979826873
Energy: 1.5884574585354483
Energy: 2.316864140152822
Energy: 1.6185964268634978
Energy: 2.079726009575817
Energy: 1.6185964274710398
Energy: 2.293838060911913
Energy: 1.6104001343163596
Energy: 1.9187862463570957
Energy: 1.610400134313038
Energy: 2.068913974591248
Energy: 1.3089943887234547
Energy: 1.313200764451583
Energy: 1.3089943887234547
Energy: 1.6970783850710638
Energy: 1.9616997277173278
Energy: 1.3334680674216235
Energy: 1.9616997277179316
Energy: 2.0478096868196376
Energy: 1.8802956248678298
Energy: 2.2050645574611107
Energy: 1.8802956248661185
Energy: 1.3337016133683262
Energy: 2.038583657515353
Energy: 1.8813711162615985
Energy: 2.03858365751646
Energy: 1.3280755742745916
Energy: 1.5614640587095452
Energy: 2.1596015591253526
Energy: 1.5614640587084383
Energy: 1.384556956252234
Energy: 1.3106489591906507
Energy: 2.288796518324259
Energy: 1.3106489591955828
Energy: 1.9880620622420886
Energy: 2.010075318242858
Energy: 2.0747238199855946
Energy: 2.010075318250608
Energy: 1.5460878864618397
Energy: 1.4983565915192985
Energy: 2.100283217848316
Energy: 1.4983565915181913
Energy: 1.5425931998682538
Energy: 1.8254044883085576
Energy: 1.747934189094769
Energy: 1.8254044883074507
Energy: 1.932218630266308
Energy: 1.7595551325913787
Energy: 1.7442005455043375
Energy: 1.759555132592486
Energy: 1.8892566341416608
Energy: 2.0808383105169135
Energy: 2.015861798210998
Energy: 2.0808383105191273
Energy: 2.1626639158113097
Energy: 1.697317521697374
Energy: 1.420494693876314
Energy: 1.697317521697978
Energy: 2.2136043137733807
Energy: 1.2919379807904854
Energy: 1.2982722733497012
Energy: 1.2919379807920959
Energy: 2.0742173972797984
Energy: 2.095236103552696
Energy: 1.4667068973218074
Energy: 2.0952361035549107
Energy: 2.278511872578195
Energy: 1.7582479115464178
Energy: 1.9689517864125547
Energy: 1.7582479115464178
Energy: 1.5520440073601929
Energy: 1.8587133774784612
Energy: 1.5082166333113851
Energy: 1.8587133774789646
Energy: 1.323654428503475
Energy: 1.4986393155104816
Energy: 1.9626356823759317
Energy: 1.4986393155110855
Energy: 2.0481701928064817
Energy: 1.912674682531202
Energy: 2.2605992316334946
Energy: 1.9126746825317051
Energy: 1.8723087598494075
Energy: 1.4308654821023248
Energy: 2.297392032208518
Energy: 1.4308654820978957
Energy: 1.3093536118582025
Energy: 1.308587486146896
Energy: 2.0646811934322344
Energy: 1.3085874861457891
Energy: 1.3322850471130578
Energy: 1.9649490557384388
Energy: 1.6921670109618536
Energy: 1.9649490557384388
Energy: 2.2264618808006853
Energy: 1.8775456766868956
Energy: 2.0449392067988863
Energy: 1.8775456766862917
Energy: 1.880488716081064
Energy: 2.0071400542171016
Energy: 1.335098608595891
Energy: 2.0071400542176048
Energy: 2.1616752097183602
Energy: 1.519670888949324
Energy: 1.3101402549822068
Energy: 1.5196708889426809
Energy: 2.2734084476649894
Energy: 1.3108765628746186
Energy: 1.568627946408795
Energy: 1.3108765628752226

minimum gb energy = 1.2919379807904854 eV
minimum distance =  2.46775187210081 Angstroms
sigma value = 89


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

Energy: 2.1566989786168063
Energy: 1.9768336587436455
Energy: 1.686903858171371
Energy: 1.797909308566293
Energy: 1.7207212322923193
Energy: 1.5090760049394571
Energy: 1.6457258115852138
Energy: 1.5090760049394571
Energy: 1.166471644454298
Energy: 1.776778679667436
Energy: 1.6693446800887435
Energy: 1.776778679667436
Energy: 1.1695325973478847
Energy: 1.5059227788595795
Energy: 1.6431928729550171
Energy: 1.5059227788595795
Energy: 1.568139105262741
Energy: 1.5101355807544987
Energy: 1.6599777304513006
Energy: 1.5101355807544987
Energy: 1.5445690728211072
Energy: 1.4983893096913854
Energy: 1.6361959553351995
Energy: 1.4983893096913854
Energy: 1.1757211505507303
Energy: 1.1745196897139658
Energy: 1.6598541382042367
Energy: 1.1745196897139658
Energy: 1.1759794654005633
Energy: 1.4864508940226435
Energy: 2.160920423880011
Energy: 1.486450894024092
Energy: 1.6320079699679917
Energy: 1.509268814346203
Energy: 2.115541760789691
Energy: 1.509268814346203
Energy: 1.6660872172059646
Energy: 1.771871925021452
Energy: 1.654549548154568
Energy: 1.771871925021452
Energy: 1.6434574711660608
Energy: 1.5073680332128585
Energy: 1.1654701167065895
Energy: 1.507368033214307
Energy: 1.6379171184917625
Energy: 1.5121761084912324
Energy: 1.5682977079771563
Energy: 1.5121761084912324
Energy: 1.667694846093877
Energy: 1.8442907536162516
Energy: 1.545172944694247
Energy: 1.8442907536148034
Energy: 1.6450633190666335
Energy: 1.1743088397187622
Energy: 1.1746539025745473
Energy: 1.1743088397187622
Energy: 2.084134653422222
Energy: 1.4863369449933492
Energy: 1.1765631403860979
Energy: 1.4863369449933492

minimum gb energy = 1.1654701167065895 eV
minimum distance =  2.4799402213634 Angstroms
sigma value = 13


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

Energy: 1.8842207809276197
Energy: 1.3784372690043925
Energy: 2.00422133938016
Energy: 1.411217459841746
Energy: 2.1906292019256863
Energy: 1.3556911531550853
Energy: 1.376320840007331
Energy: 1.3556909425911083
Energy: 1.9246152021569751
Energy: 1.6133937048277467
Energy: 1.3215986487346723
Energy: 1.6133937048326037
Energy: 1.4698416449877687
Energy: 1.82692109044092
Energy: 1.3708489568120645
Energy: 1.826921090434849
Energy: 1.955597829157852
Energy: 1.7750936024921413
Energy: 1.7593889707380013
Energy: 1.7750936024915338
Energy: 1.3742309485129272
Energy: 1.6347023928859168
Energy: 1.7531868191859423
Energy: 1.6347023928938091
Energy: 1.3697901002144899
Energy: 1.3643471387141082
Energy: 2.095501626545086
Energy: 1.3643471387171435
Energy: 1.8822047661204688
Energy: 1.2833335465035476
Energy: 2.1478664739635906
Energy: 1.2833335464999052
Energy: 1.2860331449787246
Energy: 1.2715685237905077
Energy: 2.1515111751580447
Energy: 1.2715685237886865
Energy: 1.1647062511723503
Energy: 1.1602854710341357
Energy: 2.06312749753898
Energy: 1.160285471040814
Energy: 1.5450452627030997
Energy: 1.256364310681615
Energy: 1.8840529621995699
Energy: 1.256364310680401
Energy: 1.7549723337818397
Energy: 1.6688231722917066
Energy: 2.1101885990464915
Energy: 1.6688231722935278
Energy: 1.7664497228366696
Energy: 1.7256434539002357
Energy: 1.7642241172308395
Energy: 1.7256434538990213
Energy: 1.9619142626724002
Energy: 1.6657359849028794
Energy: 1.470898275144314
Energy: 1.665735984900451
Energy: 2.1147028723268693
Energy: 1.7450985164613648
Energy: 1.6257065914408144
Energy: 1.7450985164619721
Energy: 2.0208021744530336
Energy: 1.261260171674531
Energy: 1.1593162000197457
Energy: 1.2612601716721024
Energy: 2.1014059048980362
Energy: 1.1604699850869427
Energy: 1.1657538525338722
Energy: 1.1604699850887639
Energy: 1.887526976860617
Energy: 1.3785586933842606
Energy: 1.375419812017154
Energy: 1.378558692069863
Energy: 2.130341112053445
Energy: 1.3645110401052
Energy: 1.4998023945162566
Energy: 1.3645110351497316
Energy: 2.0175104726616637
Energy: 1.6137125527361973
Energy: 1.3136978685229082
Energy: 1.6137125527398397
Energy: 1.4658683068201532
Energy: 1.7290770594197924
Energy: 1.3688454974418627
Energy: 1.7290770594149354
Energy: 1.923218429793993
Energy: 1.7760724090439945
Energy: 1.7534278597865725
Energy: 1.7760724090397446
Energy: 1.382368553520095
Energy: 1.6601663502793311
Energy: 1.6865029162532281
Energy: 1.66016635027326
Energy: 1.1572207770911793
Energy: 1.366966274532066
Energy: 2.068394540840716
Energy: 1.3669662745077817
Energy: 1.9556020160774092
Energy: 1.2891722424788459
Energy: 2.1192081372913782
Energy: 1.2891722424745962
Energy: 1.2700724933484369
Energy: 1.4805733971803265
Energy: 2.0907789473615197
Energy: 1.4805733971809338
Energy: 1.160953445962041
Energy: 1.1601661009565944
Energy: 2.06393720512853
Energy: 1.16016610095538
Energy: 1.254846047514922
Energy: 1.1622068371833272
Energy: 1.8877561031118937
Energy: 1.162206837181506
Energy: 1.791758438916546
Energy: 1.6725691127253222
Energy: 2.103042585043395
Energy: 1.6725691127271434
Energy: 1.3128319173178642
Energy: 1.7388445945301259
Energy: 1.7679316661912732
Energy: 1.7388445945270903
Energy: 1.7751829651784765
Energy: 1.6718296198795775
Energy: 1.4668319317976786
Energy: 1.6718296198813987
Energy: 2.0194387701392715
Energy: 1.7591883858008575
Energy: 2.0708239166279636
Energy: 1.7591883858026787
Energy: 2.034181429737395
Energy: 1.5598505559830251
Energy: 1.254063701084345
Energy: 1.5598505559848463
Energy: 2.0663493442088146
Energy: 1.160550617598798
Energy: 1.1613395547056728
Energy: 1.1605506176024407
Energy: 2.2100778473180918
Energy: 1.378016110145007
Energy: 1.3699102913400834
Energy: 1.3780161101480428

minimum gb energy = 1.1572207770911793 eV
minimum distance =  2.48233410449815 Angstroms
sigma value = 37


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

Energy: 1.6058609808553679
Energy: 1.0646311207700037
Energy: 1.2517197387335046
Energy: 1.1549269597141099
Energy: 2.143327896737886
Energy: 1.3883385652022098
Energy: 1.4062801357038353
Energy: 1.3883385652022098
Energy: 1.7295902049002678
Energy: 1.6339388332552223
Energy: 1.3375179152514929
Energy: 1.6339388332562668
Energy: 1.61381206244138
Energy: 1.6463082415785217
Energy: 1.405229970671097
Energy: 1.6463082415785217
Energy: 2.1158650403226105
Energy: 1.6811057049014069
Energy: 1.333616252249586
Energy: 1.6811057049014069
Energy: 1.2722042799805444
Energy: 1.4218987256049231
Energy: 1.894605290816516
Energy: 1.4218987256038786
Energy: 1.0596103673926365
Energy: 1.3914076230214043
Energy: 1.8956338107810093
Energy: 1.3914076230214043
Energy: 1.3474634321739911
Energy: 1.2484895349540803
Energy: 2.0579346814100807
Energy: 1.2484895349551246
Energy: 1.248561758984867
Energy: 1.065048607344045
Energy: 1.9742828318051087
Energy: 1.065048607344045
Energy: 1.0648774006061252
Energy: 1.0645770528578746
Energy: 2.086073982817618
Energy: 1.06457705285683
Energy: 1.2513637872027936
Energy: 1.1549269597151544
Energy: 1.6058609808553679
Energy: 1.064631119874237
Energy: 1.40628013570488
Energy: 1.3883385652022098
Energy: 2.1058634486634498
Energy: 1.3883385652022098
Energy: 1.3375179152525374
Energy: 1.6339388332552223
Energy: 1.7295902049002678
Energy: 1.6339388332562668
Energy: 1.405229970671097
Energy: 1.6463082415785217
Energy: 1.61381206244138
Energy: 1.6463082415785217
Energy: 1.333616252249586
Energy: 1.6811057049014069
Energy: 2.1158652594459793
Energy: 1.6811057049014069
Energy: 1.7731215543843688
Energy: 1.4218987256049231
Energy: 1.4061670951171503
Energy: 1.4218987256038786
Energy: 1.8956381424563766
Energy: 1.3914076230214043
Energy: 1.059610367391592
Energy: 1.3914076230214043
Energy: 2.057934681411125
Energy: 1.2484895349561693
Energy: 1.3474634321760801
Energy: 1.2484895349561693
Energy: 1.9742828318051087
Energy: 1.065048607344045
Energy: 1.248561758986956
Energy: 1.065048607344045
Energy: 2.108068473088669
Energy: 1.06457705285683
Energy: 1.0648774006071697
Energy: 1.06457705285683

minimum gb energy = 1.059610367391592 eV
minimum distance =  2.49054494718349 Angstroms
sigma value = 25


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

Energy: 1.9471082436995746
Energy: 0.96801753169549
Energy: 1.971297858868711
Energy: 1.0498139930769566
Energy: 1.9888900680446708
Energy: 0.9686320584171197
Energy: 1.2421151045867618
Energy: 0.9686320584211979
Energy: 1.832205719319978
Energy: 1.2408248712340628
Energy: 1.238924958303491
Energy: 1.2408248710090233
Energy: 1.3719755046165862
Energy: 1.4159793315933378
Energy: 1.9641342228190992
Energy: 1.4159793315933378
Energy: 1.9235309913593874
Energy: 1.5446923315339067
Energy: 1.674464274795609
Energy: 1.5446923315339067
Energy: 1.500375347621645
Energy: 1.4939420106998498
Energy: 1.6702372465531583
Energy: 1.4939420106990342
Energy: 1.3781877854743847
Energy: 1.5343550018497512
Energy: 2.091352991235173
Energy: 1.5343550018489356
Energy: 1.5390053630435678
Energy: 1.296647655949276
Energy: 1.662552093416742
Energy: 1.296647655949276
Energy: 1.238843641058119
Energy: 1.2411763286155204
Energy: 1.9341399825183634
Energy: 1.2411763286171515
Energy: 1.2429092419055365
Energy: 0.9677029982043464
Energy: 2.13469891260764
Energy: 0.9677029982043464
Energy: 1.1062416025595203
Energy: 1.186441448485472
Energy: 1.6579118653107427
Energy: 1.1864414484911814
Energy: 0.9758278382697906
Energy: 0.9681827366341736
Energy: 2.122666216891573
Energy: 0.968182736635805
Energy: 0.9673562228359709
Energy: 0.9676735317568114
Energy: 2.068031658623076
Energy: 0.9676735317576269
Energy: 1.3747247090899306
Energy: 0.96837987353939
Energy: 1.9510532406917913
Energy: 0.9683798735385745
Energy: 1.1758085931189841
Energy: 0.9683656587553053
Energy: 2.000179018322755
Energy: 0.9683656587553053
Energy: 1.2444045381133035
Energy: 1.24205825506821
Energy: 1.8373350850394758
Energy: 1.2420582550690258
Energy: 1.825932385456584
Energy: 1.5459884550414427
Energy: 1.844405362155425
Energy: 1.545988455042258
Energy: 1.1700230429274023
Energy: 1.6524005113524016
Energy: 1.9273437337408126
Energy: 1.6524005113532174
Energy: 1.6723931331003983
Energy: 1.4957087608570667
Energy: 1.4416380110396638
Energy: 1.4957087608578823
Energy: 2.0854733418721265
Energy: 1.5504426680850294
Energy: 1.4996770498583492
Energy: 1.5504426680850294
Energy: 1.6593891879697453
Energy: 1.243708834773328
Energy: 1.5478335783510588
Energy: 1.2437088347749592
Energy: 1.930590213692223
Energy: 1.2411080408717818
Energy: 0.9697153463075249
Energy: 1.2411080408709663
Energy: 1.9297287072960563
Energy: 1.1084830352658943
Energy: 1.381935481051923
Energy: 1.1084830352658943
Energy: 1.6613511534069987
Energy: 1.1072291377726267
Energy: 1.1052437870017287
Energy: 1.1072291377726267
Energy: 2.12679522191609
Energy: 0.9666984164636813
Energy: 0.9690239343496035
Energy: 0.9666984164636813
Energy: 1.8347257265468908
Energy: 0.9685339840990587
Energy: 0.9682061625484437
Energy: 0.9685339840990587

minimum gb energy = 0.9666984164636813 eV
minimum distance =  2.48525226042972 Angstroms
sigma value = 41


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

Energy: 2.1585197770179674
Energy: 0.9453157751483225
Energy: 1.0747999439076672
Energy: 0.9506334559587334
Energy: 2.007114771878012
Energy: 0.8896359411567643
Energy: 1.1146573528909005
Energy: 0.8896359411587702
Energy: 1.857926278967963
Energy: 1.1072717667431013
Energy: 1.056180987389833
Energy: 1.1072717667417642
Energy: 1.6653055075970675
Energy: 1.1756743257527837
Energy: 1.7212314092884604
Energy: 1.1756743257547897
Energy: 1.9198495314614725
Energy: 1.475343149639379
Energy: 1.4762823024481622
Energy: 1.4753431496400475
Energy: 1.610148567319674
Energy: 1.3879943188800177
Energy: 1.473001558901073
Energy: 1.3879943188806863
Energy: 1.6174693110719687
Energy: 1.5382198553972963
Energy: 1.7992152071652074
Energy: 1.5382198553972963
Energy: 1.9669523768413681
Energy: 1.4512211576926155
Energy: 1.4369861587144566
Energy: 1.4512211576912781
Energy: 1.2762849586182206
Energy: 1.398166170181023
Energy: 1.7516155227396306
Energy: 1.3981661701803545
Energy: 1.330407533835018
Energy: 1.3903914970533724
Energy: 2.0647484182769755
Energy: 1.3903914970527036
Energy: 1.110880224154404
Energy: 1.114068132173376
Energy: 1.9112053890342906
Energy: 1.114068132173376
Energy: 1.04862413565832
Energy: 1.1220040480038742
Energy: 1.9510622739153403
Energy: 1.1220040480032054
Energy: 1.2286822694459603
Energy: 1.0000681135403051
Energy: 1.9556573426861306
Energy: 1.0000681135376304
Energy: 0.9967700885586069
Energy: 0.9995091950500963
Energy: 1.9131044775521917
Energy: 0.999509195050765
Energy: 0.8889317873396853
Energy: 0.8873255951585461
Energy: 2.0028978806812785
Energy: 0.8873255951585461
Energy: 0.8860421739232651
Energy: 0.9990162468849084
Energy: 1.8943506245802413
Energy: 0.9990162468849084
Energy: 1.3007196017829774
Energy: 1.0025655886831648
Energy: 1.8987461172126279
Energy: 1.0025655886811589
Energy: 1.047402019741724
Energy: 0.8850654500584542
Energy: 1.899798609510869
Energy: 0.8850654500597915
Energy: 1.1261961754389314
Energy: 1.1217238814433923
Energy: 1.699169481634077
Energy: 1.1217238814581032
Energy: 1.47971716952811
Energy: 1.4102292540308479
Energy: 1.61049806575579
Energy: 1.4102292540301793
Energy: 1.435438139876262
Energy: 1.4706243616734227
Energy: 1.7272735124979544
Energy: 1.4706243616734227
Energy: 1.4817400227401942
Energy: 1.468838976091233
Energy: 1.6697426552766372
Energy: 1.4688389760919016
Energy: 1.709715072400455
Energy: 1.4476113210309558
Energy: 1.6099766369546027
Energy: 1.4476113210309558
Energy: 1.4387284057383687
Energy: 1.4001199612174078
Energy: 1.4838164179071864
Energy: 1.4001199612160704
Energy: 1.762576336217769
Energy: 1.4568269403319094
Energy: 1.2057197399125672
Energy: 1.4568269403332468
Energy: 1.7537756114667338
Energy: 1.1831860211504126
Energy: 1.4675073192317927
Energy: 1.1831860211524186
Energy: 1.75799056167403
Energy: 1.1761407207164933
Energy: 1.1131152586048387
Energy: 1.1761407207184995
Energy: 1.9663539669687018
Energy: 0.8859292701709832
Energy: 1.0455041901955264
Energy: 0.8859292701376099
Energy: 1.9357103164876575
Energy: 1.002931631224167
Energy: 1.2225594650811722
Energy: 1.002931631224167
Energy: 1.7528154031183982
Energy: 0.9986937430885093
Energy: 0.9968694779758662
Energy: 0.9986937430885093
Energy: 1.9847030463489734
Energy: 0.887878563054127
Energy: 0.8881943611516315
Energy: 0.8878785630534585
Energy: 2.1643300705825417
Energy: 0.8863629094870553
Energy: 0.9977034768552709
Energy: 0.886362909491736

minimum gb energy = 0.8850654500584542 eV
minimum distance =  2.48618458854058 Angstroms
sigma value = 15


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

Energy: 1.9776915143736327
Energy: 0.9332491491717524
Energy: 1.5518672985524278
Energy: 1.218875852431568
Energy: 2.0956411693063663
Energy: 0.8292528062529823
Energy: 1.0230110011590285
Energy: 0.8292528062540638
Energy: 1.9185145857264627
Energy: 1.0168388283775553
Energy: 0.9672983488798853
Energy: 1.0168388283764225
Energy: 1.9801040177342835
Energy: 1.0657388180432914
Energy: 1.3915647358421648
Energy: 1.0657388180421583
Energy: 1.995928975503843
Energy: 1.3610247304627834
Energy: 1.3069033333165123
Energy: 1.361024730463916
Energy: 1.7461275146449922
Energy: 1.2769944503407895
Energy: 1.3502992667514395
Energy: 1.2769944503407895
Energy: 1.5738596990725513
Energy: 1.3397990242796955
Energy: 1.5499084683537014
Energy: 1.339799024281395
Energy: 1.910590491902365
Energy: 1.3723786625970704
Energy: 1.3704032554595005
Energy: 1.3723786625982033
Energy: 1.5053387552301043
Energy: 1.3212678429917408
Energy: 1.5684758594970825
Energy: 1.3212678429900415
Energy: 1.5036268722814807
Energy: 1.3362690695231714
Energy: 1.8682219059668816
Energy: 1.336269069521472
Energy: 1.4018495184158046
Energy: 1.260225011963003
Energy: 1.7695874111629992
Energy: 1.2602250119641358
Energy: 1.1854497610564223
Energy: 1.2560553100339378
Energy: 1.7612781485409879
Energy: 1.2560553100333711
Energy: 1.3207083572212444
Energy: 1.265720189695532
Energy: 1.8626917763967643
Energy: 1.2657201896972312
Energy: 0.9894092192403255
Energy: 0.9711632398979863
Energy: 1.771449089578531
Energy: 0.9711632398951539
Energy: 0.9818444657622354
Energy: 0.9839124722859198
Energy: 1.9846588364700293
Energy: 0.9839124722864863
Energy: 1.1379096951541525
Energy: 1.1004432764042975
Energy: 1.8680566652533666
Energy: 1.1004432764020315
Energy: 1.0803371783127644
Energy: 1.069814437417046
Energy: 1.8837767009825421
Energy: 1.0698144374193117
Energy: 0.886241352988628
Energy: 0.9404345224000074
Energy: 2.0769959496008394
Energy: 0.9404345223609727
Energy: 0.9507777318232236
Energy: 0.8221247429147603
Energy: 1.7652664919115255
Energy: 0.8221247428824716
Energy: 1.219474301975012
Energy: 0.8191624126876056
Energy: 1.90276095453467
Energy: 0.8191624126898714
Energy: 1.0199823621891477
Energy: 1.1366453710252904
Energy: 1.9670801927828527
Energy: 1.1366453710264233
Energy: 1.220381807484793
Energy: 1.1577077577547592
Energy: 1.9836841034287866
Energy: 1.1577077577547592
Energy: 1.3444283134047574
Energy: 1.2675116433981752
Energy: 1.7418551296812015
Energy: 1.2675116433987417
Energy: 1.3077958952925415
Energy: 1.291421658959709
Energy: 1.788580407479445
Energy: 1.2914216589580096
Energy: 1.3187231798834478
Energy: 1.2216424364088965
Energy: 1.5662785662263308
Energy: 1.2216424364105958
Energy: 1.537972626378675
Energy: 1.3227168284817472
Energy: 1.762288071588914
Energy: 1.3227168284811806
Energy: 1.397271859602963
Energy: 1.3112779496073699
Energy: 1.5559276383328697
Energy: 1.3112779496096356
Energy: 1.7236851403825828
Energy: 1.414620902752097
Energy: 1.5668482899289518
Energy: 1.4146209027532302
Energy: 1.6853879204567896
Energy: 1.3441145475556875
Energy: 1.6007422164098337
Energy: 1.3441145475556875
Energy: 1.6247297104043867
Energy: 1.2727178967594954
Energy: 1.3296566786001698
Energy: 1.2727178967577961
Energy: 1.9726335576822098
Energy: 1.3063186089060357
Energy: 1.1862365527779002
Energy: 1.3063186089054692
Energy: 1.7725502191322058
Energy: 1.0654022140184491
Energy: 1.438279476227244
Energy: 1.0654022140161832
Energy: 1.863664986903629
Energy: 1.0207208221837212
Energy: 1.0458522816550713
Energy: 1.0207208221837212
Energy: 2.0671042251039724
Energy: 0.8264188414548292
Energy: 0.9974963842212243
Energy: 0.8264188412589344
Energy: 2.1913126195410624
Energy: 0.9204362604137096
Energy: 1.1759707271656532
Energy: 0.9204362604148426
Energy: 2.0436083247904917
Energy: 0.8248862720449733
Energy: 0.8672234864116837
Energy: 0.8248862720432738
Energy: 1.988396118553518
Energy: 0.8722080682307788
Energy: 0.8831568410405664
Energy: 0.8722080682319117

minimum gb energy = 0.8191624126876056 eV
minimum distance =  2.47977145208197 Angstroms
sigma value = 85


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

Energy: 1.9979642206659276
Energy: 0.8229096853395399
Energy: 1.1386105539948572
Energy: 0.8448828511107266
Energy: 2.006116262096809
Energy: 0.7437171301272048
Energy: 0.9118570567391574
Energy: 0.7437171301267134
Energy: 1.709875147050576
Energy: 0.9113381541081143
Energy: 0.8561519529456676
Energy: 0.9113381541086055
Energy: 1.6411420150520835
Energy: 0.9590643306903154
Energy: 1.1847166403859506
Energy: 0.9590643306893327
Energy: 1.919953288319078
Energy: 1.032448182498676
Energy: 1.1607380624520103
Energy: 1.0324481826960885
Energy: 1.4989798545981503
Energy: 1.142110684491284
Energy: 1.188139012083995
Energy: 1.1421106844917754
Energy: 1.6069091019469572
Energy: 1.1867094217928646
Energy: 1.3762444958007383
Energy: 1.186709421793356
Energy: 1.8222235845504215
Energy: 1.1892763197324754
Energy: 1.1335896877552127
Energy: 1.1892763197310012
Energy: 1.5056599174825136
Energy: 1.2144269045511278
Energy: 1.3998840370974936
Energy: 1.2144269045511278
Energy: 1.5027476975260148
Energy: 1.226057043375643
Energy: 1.629096859070396
Energy: 1.226057043375643
Energy: 1.3963802291291099
Energy: 1.206426903300546
Energy: 1.4662713226345365
Energy: 1.206426903300546
Energy: 1.3002967527546383
Energy: 1.2035969355507579
Energy: 1.6117149618862863
Energy: 1.203596935549284
Energy: 1.379535920573085
Energy: 1.2112501995394573
Energy: 1.605807225393251
Energy: 1.21125019954044
Energy: 1.2212152002548304
Energy: 1.1360372673075039
Energy: 1.4702356157366325
Energy: 1.1360372673084864
Energy: 0.9707168210908329
Energy: 1.1429491277901505
Energy: 1.7671138313980757
Energy: 1.1429491277901505
Energy: 1.1834105075437151
Energy: 0.9756630676709306
Energy: 1.6073228610782229
Energy: 0.9756630676719132
Energy: 0.9117674905343308
Energy: 0.9582349653276273
Energy: 1.6118858847114725
Energy: 0.9582349653276273
Energy: 0.8565203612218424
Energy: 0.915733536150013
Energy: 1.9728954835778603
Energy: 0.9157335361480478
Energy: 0.9915273204662528
Energy: 0.8241478655230305
Energy: 1.8138664622398812
Energy: 0.8241478655176263
Energy: 0.8228858513318683
Energy: 0.8244662863646645
Energy: 1.8135768136128025
Energy: 0.8244662863646645
Energy: 0.7443160860715957
Energy: 0.7425153956640046
Energy: 1.9953637155690311
Energy: 0.7425153956635133
Energy: 0.8230146890370291
Energy: 0.8255888284804931
Energy: 2.0040772944792797
Energy: 0.8255888284809845
Energy: 1.0512057986378642
Energy: 0.8259565750174968
Energy: 1.8957621882353297
Energy: 0.8259565750174968
Energy: 0.860243246794687
Energy: 0.9118920180301145
Energy: 1.9730751508624296
Energy: 0.9118920180281493
Energy: 0.9456830905593743
Energy: 0.9134909133795824
Energy: 1.6386228313704374
Energy: 0.9134909133614043
Energy: 1.1857943836111098
Energy: 0.9770182535416297
Energy: 1.919132663250232
Energy: 0.9770182535421211
Energy: 1.1838840550427356
Energy: 1.1333841388553738
Energy: 1.6874880518424524
Energy: 1.133384138855865
Energy: 1.3775244011253451
Energy: 1.146852081535647
Energy: 1.6397001644836966
Energy: 1.146852081535647
Energy: 1.3988175601519557
Energy: 1.2067454220458635
Energy: 1.8785905891024899
Energy: 1.2067454220458635
Energy: 1.3958186493584566
Energy: 1.2099873990392322
Energy: 1.500009165489602
Energy: 1.2099873990397234
Energy: 1.633741764134404
Energy: 1.2161230383800534
Energy: 1.2986204190837805
Energy: 1.2161230383800534
Energy: 1.4708457548286538
Energy: 1.217107595816521
Energy: 1.5658849015737888
Energy: 1.217107595816521
Energy: 1.6080824535811822
Energy: 1.2133338323782918
Energy: 1.2881896037630598
Energy: 1.2133338323782918
Energy: 1.8794606149465376
Energy: 1.206964427090273
Energy: 1.2887219696037244
Energy: 1.206964427090273
Energy: 1.4656840070025814
Energy: 1.1349824640517021
Energy: 1.3792339773097009
Energy: 1.1349824640507196
Energy: 1.7641218571514228
Energy: 1.1407842534675596
Energy: 1.1355823236217848
Energy: 1.140784253468051
Energy: 1.8264966000748775
Energy: 0.9753967550258246
Energy: 1.1861115874504835
Energy: 0.9753967550263158
Energy: 1.8204389433156816
Energy: 0.913430125662835
Energy: 0.9114967773942382
Energy: 0.9134301256648001
Energy: 1.9592381355514044
Energy: 0.9115527752796384
Energy: 0.859307810409191
Energy: 0.911552775282095
Energy: 1.8182638570620326
Energy: 0.8263976777320029
Energy: 0.9936633881348009
Energy: 0.8263976777329854
Energy: 1.8245462580862368
Energy: 0.8248974827905706
Energy: 0.8227586871686631
Energy: 0.824897482789588
Energy: 1.978751331305198
Energy: 0.7424014952355545
Energy: 0.7436180898581735
Energy: 0.7424014952355545
Energy: 1.708462944244638
Energy: 0.8246818081294075
Energy: 0.8227115133691776
Energy: 0.8246818081294075

minimum gb energy = 0.7424014952355545 eV
minimum distance =  2.48675201782359 Angstroms
sigma value = 113


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

Energy: 0.02144315034223869
Energy: 0.8018387879464942
Energy: 1.5490795742383576
Energy: 0.02249447063712269
Energy: 0.8854051008123208
Energy: 0.13589225190742799
Energy: 0.884430579868491
Energy: 0.13589225190705032
Energy: 0.023357953895537815
Energy: 0.13342925640201614
Energy: 0.8829263621441888
Energy: 0.13342925640163844
Energy: 0.024459655622406318
Energy: 0.13354210735298286
Energy: 0.8819791121314152
Energy: 0.1335421073522275
Energy: 0.8871455365359925
Energy: 0.1330843986623657
Energy: 1.3790152511140197
Energy: 0.13308439866198807
Energy: 0.022289112364671716
Energy: 0.1330589534198372
Energy: 0.8840281223792977
Energy: 0.1330589534198372

minimum gb energy = 0.02144315034223869 eV
minimum distance =  2.73564520973714 Angstroms
sigma value = 1