Model name: model_name=MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391771733761
cohesive_energy=4.450350014499072
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.018089586419622675
Energy: 0.6716590976804464
Energy: 0.018618501477754696
Energy: 0.018403142469010703
Energy: 0.6718588699787189
Energy: 0.018624609423028043
Energy: 0.6716590976797854
Energy: 0.16004755136414417
Energy: 0.15998081206256745
Energy: 0.15972420753570354
Energy: 0.15975146373884044
Energy: 0.16135353235649072
Energy: 0.01861850147746092
Energy: 0.15998081206223697
Energy: 0.16140211498123097
Energy: 0.018578580325143063
Energy: 0.15968725257543434
Energy: 0.16078063801426898
Energy: 0.018403142468386417
Energy: 0.15972420753603403
Energy: 0.018578580324849284
Energy: 0.01855723925157347
Energy: 0.1598977198157097
Energy: 0.018514728619887157
Energy: 0.6718588699783885
Energy: 0.15975146373917093
Energy: 0.15968725257543434
Energy: 0.1598977198157097
Energy: 0.1597273333652601
Energy: 0.15965524237228798
Energy: 0.018624609423358546
Energy: 0.16135353235682126
Energy: 0.16078063801426898
Energy: 0.018514728619887157
Energy: 0.1596552423726185
Energy: 0.018505209102795784

minimum gb energy = 0.018089586419622675 eV
minimum distance =  2.48701883905162 Angstroms
sigma value = 1


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

Energy: 2.0598001109167683
Energy: 1.3701775533972917
Energy: 1.4122091744348926
Energy: 1.4438081003653525
Energy: 1.7366585565991806
Energy: 1.9082601933417678
Energy: 1.8564790545087302
Energy: 1.3450678984471482
Energy: 1.3449037172968603
Energy: 1.3959772996715525
Energy: 1.3450073208690476
Energy: 1.3439224498300588
Energy: 1.8705382422085544
Energy: 1.3441514075603958
Energy: 1.3442083492669865
Energy: 1.3549124336817346
Energy: 1.3442558851311768
Energy: 1.3050350577547316
Energy: 1.964205560437299
Energy: 1.2961565316769392
Energy: 1.3421121196658121
Energy: 1.3265934058274556
Energy: 1.3492460640126602
Energy: 1.3263248202329114
Energy: 1.8651963556277573
Energy: 1.4008896715524994
Energy: 1.4007856514226673
Energy: 1.4031097304184492
Energy: 1.4012621755181813
Energy: 1.4005543721322957
Energy: 1.8185315003471896
Energy: 1.4007447489142377
Energy: 1.3997561037063218
Energy: 1.382758983573729
Energy: 1.4010728147008937
Energy: 1.3815078427741667
Energy: 1.8205687945025766
Energy: 1.3806346054787153
Energy: 1.3804978871650846
Energy: 1.3799596263114342
Energy: 1.396239211531201
Energy: 1.3806485815706147
Energy: 1.7356898237358616
Energy: 1.4015399630703318
Energy: 1.4020519231666742
Energy: 1.3928394691268937
Energy: 1.3994390129743388
Energy: 1.3813932333076717
Energy: 1.4868532702623747
Energy: 1.396975436756951
Energy: 1.3816689161481044
Energy: 1.4067357506001836
Energy: 1.396796707081251
Energy: 1.3793118186342046
Energy: 1.4834994528283723
Energy: 1.4009555650417496
Energy: 1.363638244519148
Energy: 1.3766580245938302
Energy: 1.4009457011684554
Energy: 1.3635637161462535
Energy: 1.5200782980870677
Energy: 1.3531012427708435
Energy: 1.354082511960107
Energy: 1.5198615778578672
Energy: 1.3535739455984583
Energy: 1.352053601465157
Energy: 1.344297336480105
Energy: 1.3587453758753645
Energy: 1.3592947959235968
Energy: 1.3443287863649018
Energy: 1.3713840766532386
Energy: 1.3441183085466155
Energy: 1.3447380212390805
Energy: 1.3875598524373187
Energy: 1.387448110864038
Energy: 1.3446652191987996
Energy: 1.3706302846256937
Energy: 1.3442374580137144
Energy: 1.394322576085432
Energy: 1.3758703820695175
Energy: 1.356291578441605
Energy: 1.3938969139079647
Energy: 1.3551673071753294
Energy: 1.3279493194631942
Energy: 1.3945430490578932
Energy: 1.401547004391461
Energy: 1.3270265357036688
Energy: 1.3441029984578066
Energy: 1.4032160148000765
Energy: 1.344244979551476
Energy: 1.3978375151982478
Energy: 1.325479056594977
Energy: 1.3254705452469198
Energy: 1.3785616099982618
Energy: 1.3714990310729065
Energy: 1.3454016699439029
Energy: 1.7002303454922467
Energy: 1.3915503375960592
Energy: 1.3914591789788338
Energy: 1.3579697058995492
Energy: 1.3791469502155065
Energy: 1.3281058036804017
Energy: 1.64719213541563
Energy: 1.399918650777617
Energy: 1.3992179052820104
Energy: 1.4002247596639457
Energy: 1.4469228623075743
Energy: 1.399319811881403
Energy: 1.6509616003656957
Energy: 1.3995812071852158
Energy: 1.3989700501132745
Energy: 1.3996047556344213
Energy: 1.399479467042653
Energy: 1.4121899179414945
Energy: 1.8710613995847944
Energy: 1.4002871165959832
Energy: 1.4132173179644896
Energy: 1.3996708800750435
Energy: 1.3995957476806684
Energy: 1.3984258260174462
Energy: 1.8852790784267963
Energy: 1.3958450070696724
Energy: 1.3755859603596807
Energy: 1.354942463631237
Energy: 1.4323608661102172
Energy: 1.395835337524531
Energy: 1.8878957944273997
Energy: 1.3737782908038432
Energy: 1.372260027903879
Energy: 1.3838328221808076
Energy: 1.389134069951576
Energy: 1.340859471039034
Energy: 1.9228761240524384
Energy: 1.344088549488398
Energy: 1.3442476834720365
Energy: 1.3822382580048551
Energy: 1.3441642810473537
Energy: 1.3439081693500659

minimum gb energy = 1.2961565316769392 eV
minimum distance =  2.32703656368014 Angstroms
sigma value = 33


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

Energy: 2.263467220057236
Energy: 1.5734031400581774
Energy: 1.8281928713562412
Energy: 1.824879570276246
Energy: 2.1642520138025048
Energy: 1.8234334332051552
Energy: 1.7062735672687277
Energy: 1.3564371226313041
Energy: 1.3541688036649646
Energy: 1.4199363406401808
Energy: 1.3559626450540758
Energy: 1.355062140875152
Energy: 1.842175755564298
Energy: 1.374211548669188
Energy: 1.3544782657042669
Energy: 1.4910210880768477
Energy: 1.3746803650278074
Energy: 1.3547055117647644
Energy: 1.7616534899313088
Energy: 1.3743432130158975
Energy: 1.3297283416604444
Energy: 1.4396168657346324
Energy: 1.3731752506128736
Energy: 1.3655238334675088
Energy: 1.7040321920376502
Energy: 1.3554908101966863
Energy: 1.4003155083112009
Energy: 1.4202973512061225
Energy: 1.4005868341044685
Energy: 1.3998968843361201
Energy: 1.7688172073031758
Energy: 1.418352454334106
Energy: 1.4186606136546098
Energy: 1.3685464350453185
Energy: 1.4186587005352143
Energy: 1.368469365028282
Energy: 1.7672652146026122
Energy: 1.3689818537797347
Energy: 1.3689875767682889
Energy: 1.3683569082911173
Energy: 1.4095893588383865
Energy: 1.3685655653842324
Energy: 1.7042924716509833
Energy: 1.4164557428204265
Energy: 1.418908173534387
Energy: 1.4580680337252307
Energy: 1.4491955007753619
Energy: 1.4176392795868773
Energy: 1.4721260464232342
Energy: 1.4150243350422038
Energy: 1.4087914355774511
Energy: 1.4336865785045525
Energy: 1.4147368517163208
Energy: 1.4095078616954975
Energy: 1.4578555850128196
Energy: 1.4194512585063566
Energy: 1.399355859421039
Energy: 1.4001603916341308
Energy: 1.419721452071872
Energy: 1.4005259461904778
Energy: 1.4898752693599426
Energy: 1.823764514905858
Energy: 1.8228897991788178
Energy: 1.491194742928768
Energy: 1.823474135085393
Energy: 1.83215665751089
Energy: 1.3749099481636835
Energy: 1.3497096811986942
Energy: 1.3556948541164764
Energy: 1.3746480013264306
Energy: 1.3958581612567267
Energy: 1.3542862975468228
Energy: 1.374497994706622
Energy: 1.4001643326916673
Energy: 1.3547856773214495
Energy: 1.3748338421348485
Energy: 1.408485231091231
Energy: 1.3544472191106336
Energy: 1.476016735031869
Energy: 1.6522104909934192
Energy: 1.6501389424290094
Energy: 1.4763522923453227
Energy: 1.6494906744798707
Energy: 1.4405337666085107
Energy: 1.45801703772957
Energy: 1.4203170650642634
Energy: 1.2963954760682381
Energy: 1.3558026006780906
Energy: 1.4200241754931382
Energy: 1.3552207469547153
Energy: 1.4731373812305062
Energy: 1.3708435775155414
Energy: 1.368061532432053
Energy: 1.4184622557984525
Energy: 1.4071625909010959
Energy: 1.418641267547338
Energy: 1.7046156720353793
Energy: 1.3681559146341162
Energy: 1.3683199724189257
Energy: 1.4570755771529695
Energy: 1.3681419830435184
Energy: 1.368298429467741
Energy: 1.559048465180288
Energy: 1.4091455959966228
Energy: 1.4087551042778272
Energy: 1.4158144421992458
Energy: 1.4564356528113582
Energy: 1.415897686770817
Energy: 1.5578783138234795
Energy: 1.4175228932868529
Energy: 1.4095616969913933
Energy: 1.415086966543788
Energy: 1.4185067791930468
Energy: 1.4084431886766466
Energy: 1.703651129729745
Energy: 1.4001297101417427
Energy: 1.4002171363661315
Energy: 1.4201628660392867
Energy: 1.400445073614989
Energy: 1.3993466727941906
Energy: 1.9588306768762387
Energy: 1.4014160962837976
Energy: 1.3847361281550685
Energy: 1.2802754213013636
Energy: 1.4952528414789155
Energy: 1.367555658127326
Energy: 1.558517374410422
Energy: 1.3738966725035653
Energy: 1.3737564239762203
Energy: 1.3969806775245213
Energy: 1.3739689796204986
Energy: 1.3552519926218822
Energy: 1.7070564790894482
Energy: 1.355275543563889
Energy: 1.3545330615603366
Energy: 1.3734661574511795
Energy: 1.3741650746590408
Energy: 1.3544674713464846
Energy: 1.9103176105157431
Energy: 1.3648088573370745
Energy: 1.3735803139555915
Energy: 1.6494388366910742
Energy: 1.4738151957828913
Energy: 1.6497682660231363
Energy: 1.7078708700464942
Energy: 1.3554495519620704
Energy: 1.3555310118223058
Energy: 1.4202745952548086
Energy: 1.3554497511256538
Energy: 1.354830570079914
Energy: 1.7680083504317763
Energy: 1.4171210442792475
Energy: 1.4179329694910145
Energy: 1.4088194664499585
Energy: 1.4335717342841952
Energy: 1.3677634400576493
Energy: 1.7636296334572155
Energy: 1.4197136383489746
Energy: 1.3690056757752147
Energy: 1.4119269223428015
Energy: 1.431341366170051
Energy: 1.3692081765465034
Energy: 1.703791549426164
Energy: 1.4148621429976
Energy: 1.4170583505345546
Energy: 1.409480999427384
Energy: 1.4149422680411872
Energy: 1.4082106532278083
Energy: 1.472885408629948
Energy: 1.4149439245082318
Energy: 1.416083971867542
Energy: 1.418338434733649
Energy: 1.4148745908398765
Energy: 1.4083656249200998
Energy: 1.4579856340383592
Energy: 1.4183308444932927
Energy: 1.399629821771421
Energy: 1.4010410980696222
Energy: 1.4202137562488004
Energy: 1.4000905804122195
Energy: 1.4732717129321535
Energy: 1.2873111174011245
Energy: 1.2862186117127072
Energy: 1.3661953882447455
Energy: 1.286209861226641
Energy: 1.2858495971269754
Energy: 1.3740763637472349
Energy: 1.3500762818762833
Energy: 1.321750261485778
Energy: 1.3740364948287387
Energy: 1.3509852804836464
Energy: 1.3736033180047174
Energy: 1.3738457357842195
Energy: 1.3993450372727894
Energy: 1.3560389408722908
Energy: 1.3542360025383884
Energy: 1.4000747648975793
Energy: 1.354580809729009
Energy: 1.3651109537235142
Energy: 1.6516499030018224
Energy: 1.6510856446194293
Energy: 1.3652330785368436
Energy: 1.6492044678459237
Energy: 1.6271102654974976
Energy: 1.4580804507284648
Energy: 1.3375419923239478
Energy: 1.329285698959747
Energy: 1.3552301337945227
Energy: 1.3795187053442959
Energy: 1.3554739440960708
Energy: 1.4701092161539147
Energy: 1.4086436660138555
Energy: 1.3730142366454325
Energy: 1.4323909932857195
Energy: 1.4082903684609884
Energy: 1.4090915512633453
Energy: 1.4575459528483476
Energy: 1.4398556056238105
Energy: 1.4646006207962325
Energy: 1.3995403670850468
Energy: 1.417448435657179
Energy: 1.4389802069649094
Energy: 1.5586035666845546
Energy: 1.4087941756360605
Energy: 1.40985773005757
Energy: 1.4152461571195933
Energy: 1.4097957125239027
Energy: 1.4089384496466975
Energy: 1.5582174898421033
Energy: 1.4185572018785693
Energy: 1.408456181358345
Energy: 1.4660796065590491
Energy: 1.4192406007268317
Energy: 1.4163589640879686
Energy: 1.7045279072545287
Energy: 1.3978862431382175
Energy: 1.3998297437882419
Energy: 1.4323133235933263
Energy: 1.399017848304682
Energy: 1.4006349078541
Energy: 1.957776505428641
Energy: 1.330401139007844
Energy: 1.3338586112463378
Energy: 1.2803253409727249
Energy: 1.3298843761936086
Energy: 1.2861094041603558

minimum gb energy = 1.2802754213013636 eV
minimum distance =  2.34093633395682 Angstroms
sigma value = 51


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

Energy: 2.114545717419186
Energy: 1.718169202710133
Energy: 2.211493927075896
Energy: 1.7751091381019493
Energy: 1.4076941000681678
Energy: 1.774778860905393
Energy: 1.6112330652159965
Energy: 1.421610005654185
Energy: 1.4154560850920803
Energy: 1.3947110472363227
Energy: 1.4074704326692404
Energy: 1.4164516743577098
Energy: 1.9057445977013379
Energy: 1.4044358793582028
Energy: 1.4034230214048005
Energy: 1.4343457571726503
Energy: 1.4043025570090417
Energy: 1.3488663903766858
Energy: 1.8215929507807929
Energy: 1.4031690170800188
Energy: 1.3536207700510365
Energy: 1.3800838495253664
Energy: 1.5396258955041167
Energy: 1.3781482657872148
Energy: 1.7736788328216457
Energy: 1.4829875690136822
Energy: 1.4841566160452442
Energy: 1.3412409200292004
Energy: 1.4835518410303947
Energy: 1.4319515154676812
Energy: 1.6120798465550046
Energy: 1.4333207398959866
Energy: 1.4320251198754153
Energy: 1.4305978116345932
Energy: 1.4680975250864359
Energy: 1.43072365761945
Energy: 1.6123204413305208
Energy: 1.402417919701648
Energy: 1.4319389517080063
Energy: 1.432697436506017
Energy: 1.4330037208600184
Energy: 1.431285536098926
Energy: 1.622744164749411
Energy: 1.2985509829519735
Energy: 1.2943049767879762
Energy: 1.5187247669468975
Energy: 1.299144029994675
Energy: 1.2979925024213577
Energy: 1.403700596758856
Energy: 1.296613445056458
Energy: 1.2967367841692725
Energy: 1.4037746064382484
Energy: 1.2944857484889196
Energy: 1.4009377516335202
Energy: 1.4012671791335263
Energy: 1.3619354052649517
Energy: 1.4158149836821394
Energy: 1.4012698696956696
Energy: 1.355800808761684
Energy: 1.416011197024167
Energy: 1.4001040019762618
Energy: 1.5179108483193198
Energy: 1.5180410866456782
Energy: 1.4053958577337566
Energy: 1.402143312535478
Energy: 1.5019902626825312
Energy: 1.4645975374927913
Energy: 1.3612273603180747
Energy: 1.4157536008551002
Energy: 1.4156918341418359
Energy: 1.3387974574428536
Energy: 1.4159283469857866
Energy: 1.4426210820111802
Energy: 1.3354204529921156
Energy: 1.3322339359101762
Energy: 1.4276366057620111
Energy: 1.4193513018288075
Energy: 1.42867528821895
Energy: 1.4439639085369753
Energy: 1.6783836180277474
Energy: 1.6778800824083138
Energy: 1.4337375542194757
Energy: 1.6785348888177851
Energy: 1.4864682437830243
Energy: 1.7280250888297266
Energy: 1.388079419855071
Energy: 1.3760084097587801
Energy: 1.380270435973542
Energy: 1.4009102809825744
Energy: 1.375110192137544
Energy: 1.739932135017675
Energy: 1.4344355922651169
Energy: 1.433657488207929
Energy: 1.5689352337431892
Energy: 1.4335059305177662
Energy: 1.4517659727012864
Energy: 1.7521207664348148
Energy: 1.4343760321344976
Energy: 1.434260266743006
Energy: 1.4818481155843308
Energy: 1.4346805316342561
Energy: 1.451208815998445
Energy: 1.9403778843101043
Energy: 1.4157203974196726
Energy: 1.3929509673982905
Energy: 1.2902338495794703
Energy: 1.4207036344339514
Energy: 1.3995329553910256

minimum gb energy = 1.2902338495794703 eV
minimum distance =  2.3279261959738 Angstroms
sigma value = 19


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

Energy: 1.7523746830041993
Energy: 1.6988739793160124
Energy: 1.5435183106597308
Energy: 1.5448554951645779
Energy: 1.6987637157846232
Energy: 1.544508674268089
Energy: 1.5459856684744753
Energy: 1.289249567842809
Energy: 1.2889179640370205
Energy: 1.3026868492056232
Energy: 1.2890481854215547
Energy: 1.3494703356037059
Energy: 1.9005666935981445
Energy: 1.288805753408001
Energy: 1.2888232220557452
Energy: 1.2864143966714199
Energy: 1.288655626349157
Energy: 1.288644171411279
Energy: 1.5024119007511954
Energy: 1.2892122717594254
Energy: 1.2897372628661912
Energy: 1.4182121109985677
Energy: 1.289164689745702
Energy: 1.2402515119607658
Energy: 1.5459157949185123
Energy: 1.2885238902983294
Energy: 1.288735589365328
Energy: 1.2646775303617743
Energy: 1.2883077427385237
Energy: 1.339194294620615
Energy: 1.543705756244657
Energy: 1.2525932415893268
Energy: 1.3381628879304566
Energy: 1.2868475389419138
Energy: 1.2524334147686753
Energy: 1.2848779114565403
Energy: 1.5479496816441516
Energy: 1.3402703374492981
Energy: 1.291273627353736
Energy: 1.286237978088291
Energy: 1.2657717605707641
Energy: 1.2871593648749964
Energy: 1.4920788657437734
Energy: 1.1384498723305287
Energy: 1.1393431064634767
Energy: 1.4925402251329773
Energy: 1.2525414509043917
Energy: 1.201398953192571
Energy: 1.289172794404403
Energy: 1.1389463671799405
Energy: 1.1374659896797108
Energy: 1.2888190167308518
Energy: 1.13832341731356
Energy: 1.252464916366944
Energy: 1.289082655052232
Energy: 1.3389132275310927
Energy: 1.2888052744174852
Energy: 1.2889047926159691
Energy: 1.4034997221251275
Energy: 1.289089017949281
Energy: 1.3501996154437659
Energy: 1.4190500655535463
Energy: 1.4192049780603704
Energy: 1.3499642874333764
Energy: 1.4194911548913751
Energy: 1.2898540458484657
Energy: 1.541845738742905
Energy: 1.4019434941933042
Energy: 1.3380733390759372
Energy: 1.2887921129451818
Energy: 1.285620472058362
Energy: 1.2888496581710065
Energy: 1.2519169262769032
Energy: 1.2863633610366385
Energy: 1.42628171898795
Energy: 1.252141841147134
Energy: 1.2860293413979167
Energy: 1.4260625848757602
Energy: 1.5447289984399333
Energy: 1.4249530800473764
Energy: 1.4265975190502571
Energy: 1.2892688577932578
Energy: 1.42624422534096
Energy: 1.4263935864590904
Energy: 1.8112904929840368
Energy: 1.2894518107442179
Energy: 1.3498708554158396
Energy: 1.1385749459240584
Energy: 1.288897588660155
Energy: 1.252192298194317
Energy: 1.7556986141994864
Energy: 1.3495057477172583
Energy: 1.2531730593689354
Energy: 1.5461039214640808
Energy: 1.3494978571273768
Energy: 1.3708901710900343
Energy: 1.5465084734626222
Energy: 1.2884690880784242
Energy: 1.2885587403892007
Energy: 1.2643447980838634
Energy: 1.288801029079305
Energy: 1.2908779745608887
Energy: 1.5010708317623473
Energy: 1.2891243877407865
Energy: 1.2892987456297849
Energy: 1.4183982729846971
Energy: 1.288890947530795
Energy: 1.289548679948413
Energy: 1.501113734716044
Energy: 1.2892899802670115
Energy: 1.2887891419867024
Energy: 1.4184772278843707
Energy: 1.2891372805851535
Energy: 1.338394048289327
Energy: 1.5454836914431982
Energy: 1.2523811836965932
Energy: 1.2859455116437986
Energy: 1.3398941670661653
Energy: 1.2523179145060588
Energy: 1.337630675300257
Energy: 1.508202725483328
Energy: 1.288661837845164
Energy: 1.3388910870361934
Energy: 1.4261093113489463
Energy: 1.2884751295931156
Energy: 1.4259221755087528
Energy: 1.5455828087655377
Energy: 1.4015263255537533
Energy: 1.4026807089861184
Energy: 1.2863182232692494
Energy: 1.4018480029263265
Energy: 1.351628760576124
Energy: 1.4539929776381557
Energy: 1.5446829219491962
Energy: 1.5444295844073406
Energy: 1.286311184980557
Energy: 1.5449636497095403
Energy: 1.5440166862607427
Energy: 1.2892911449845827
Energy: 1.3032697799473647
Energy: 1.3496057909606365
Energy: 1.2891541221497207
Energy: 1.265484398366064
Energy: 1.349345139693302
Energy: 1.2886951106653437
Energy: 1.3380898180357657
Energy: 1.2884168937435592
Energy: 1.2886341942383477
Energy: 1.2864911190027535
Energy: 1.2890164029086117
Energy: 1.4535068902638741
Energy: 1.4196937585642764
Energy: 1.4195620741272148
Energy: 1.4543193663377625
Energy: 1.4191376016774064
Energy: 1.2900225573713278
Energy: 1.5439379168289225
Energy: 1.4013090600481097
Energy: 1.3395320363827032
Energy: 1.2882933151028009
Energy: 1.339795333800914
Energy: 1.289356474718828
Energy: 1.2521577070237968
Energy: 1.2857819698430257
Energy: 1.2861904858676954
Energy: 1.2522587093012847
Energy: 1.2863343722375846
Energy: 1.3370113300183435
Energy: 1.4542070969977254
Energy: 1.2857668814584524
Energy: 1.2871920110993573
Energy: 1.2899401808471815
Energy: 1.2860684462492056
Energy: 1.2859186029135925
Energy: 1.7560883581914977
Energy: 1.3492826437129473
Energy: 1.2007876991114341
Energy: 1.1380489053342138
Energy: 1.4914593867365946
Energy: 1.1379780357726021

minimum gb energy = 1.1374659896797108 eV
minimum distance =  2.3721340687863 Angstroms
sigma value = 27


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

Energy: 1.486335468701242
Energy: 1.2862981833776324
Energy: 1.475026047213873
Energy: 1.3996290250680203
Energy: 2.0499207218588036
Energy: 2.02114666463663
Energy: 1.4969655105829078
Energy: 1.295765520782769
Energy: 1.295898170394632
Energy: 1.2480870816887404
Energy: 1.295755995318083
Energy: 1.2955183759216304
Energy: 1.3475840488285025
Energy: 1.2870426587234154
Energy: 1.2848893089325117
Energy: 1.277182126327077
Energy: 1.286106050753099
Energy: 1.2846442357006558
Energy: 1.3473821817065643
Energy: 1.2284540386524057
Energy: 1.2298286019038136
Energy: 1.277882574331934
Energy: 1.598490619048403
Energy: 1.2282748109962647
Energy: 1.4920903481017824
Energy: 1.3636658870917595
Energy: 1.2491862475601456
Energy: 1.3821776267906358
Energy: 1.3631814333795844
Energy: 1.136714176794639
Energy: 1.2849973981470577
Energy: 1.3647694075384507
Energy: 1.365212146307898
Energy: 1.2849398249089936
Energy: 1.403097067350358
Energy: 1.1412321538405685
Energy: 1.2859054324915804
Energy: 1.193734713652765
Energy: 1.1937065409374497
Energy: 1.2865290810151282
Energy: 1.2480131647833252
Energy: 1.286694273094369
Energy: 1.3609846303263173
Energy: 1.2240821242205278
Energy: 1.2249058118591862
Energy: 1.3610934721220858
Energy: 1.2227428868628432
Energy: 1.2829870803031973
Energy: 1.34848995071615
Energy: 1.2247185161989602
Energy: 1.2617269383549279
Energy: 1.356521124874066
Energy: 1.2722601471376582
Energy: 1.2615171148311783
Energy: 1.3492584270151058
Energy: 1.2560614588298515
Energy: 1.2013066216653705
Energy: 1.2999296720649036
Energy: 1.3010916235575527
Energy: 1.301054956486271
Energy: 1.3472473024541347
Energy: 1.3092141583222987
Energy: 1.3111379753054548
Energy: 1.3006842280894269
Energy: 1.308281935548868
Energy: 1.3108398902096356
Energy: 1.3471191862245138
Energy: 1.28510743128143
Energy: 1.2851963074485204
Energy: 1.248122441311973
Energy: 1.2849262062690843
Energy: 1.2854344253808199

minimum gb energy = 1.136714176794639 eV
minimum distance =  2.31895382425754 Angstroms
sigma value = 9


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

Energy: 2.281248234470302
Energy: 1.4793563311037101
Energy: 1.3383417910001207
Energy: 1.59695225789564
Energy: 1.4787556868194995
Energy: 1.4840975093851878
Energy: 1.2052834131120225
Energy: 1.126144467684071
Energy: 1.1266489935457518
Energy: 1.0926470044499388
Energy: 1.1265631002184717
Energy: 1.1266309141761675
Energy: 1.136301770192274
Energy: 1.1069693666271554
Energy: 1.107415552928665
Energy: 1.0926811432463235
Energy: 1.1065368721814357
Energy: 1.1075416341709252
Energy: 1.4852932830304446
Energy: 1.0698572393461165
Energy: 1.1865397803941364
Energy: 1.0686272718897198
Energy: 1.2954714052694183
Energy: 1.3082774916272806
Energy: 1.3141168547364996
Energy: 1.1611951675191274
Energy: 1.3359999470202772
Energy: 1.1574890119752757
Energy: 1.201993709153009
Energy: 1.2466950907555394
Energy: 1.1739114870562861
Energy: 1.429239760678994
Energy: 1.249752178445152
Energy: 1.1742795830709951
Energy: 1.4225691175906174
Energy: 1.120441291561132
Energy: 1.1715076246866623
Energy: 1.0950400251338936
Energy: 1.2136578709469839
Energy: 1.1719951315030925
Energy: 1.1165840836713101
Energy: 1.1724213094317484
Energy: 1.1627059676848503
Energy: 1.2951521933496404
Energy: 1.16457500529241
Energy: 1.1634192170931223
Energy: 1.2905871183454052
Energy: 1.1598092416904981
Energy: 1.1079158703446041
Energy: 1.1418904185683878
Energy: 1.2307633628169927
Energy: 1.0991408446801163
Energy: 1.1830428403090285
Energy: 1.1382831893904857
Energy: 1.7488792051202804
Energy: 1.197590764761615
Energy: 1.164950457268872
Energy: 0.9752942605361122
Energy: 1.2713322815104142
Energy: 1.1551800277409319
Energy: 1.0532592142511896
Energy: 1.1589967752038972
Energy: 1.1590882805834186
Energy: 0.9753871997967298
Energy: 1.1587634211352196
Energy: 1.1588619063589995
Energy: 1.1087373178051507
Energy: 1.1762018374480967
Energy: 1.1765734246520123
Energy: 1.1165955940647925
Energy: 1.1756181627790552
Energy: 1.175060570885341
Energy: 2.010338173054728
Energy: 1.1449255648132994
Energy: 1.4692646694465432
Energy: 1.3159101615075735
Energy: 1.141923806501126
Energy: 1.4685242227976278
Energy: 1.2284156233652912
Energy: 1.1714875778630278
Energy: 1.1333520514255448
Energy: 1.116549212128782
Energy: 1.1718721451846048
Energy: 1.1082156902640397
Energy: 1.1074132474528278
Energy: 1.1751737737226364
Energy: 1.1814127511876682
Energy: 1.1070130276322057
Energy: 1.1744460652799533
Energy: 1.367290444389275
Energy: 1.126989065977665
Energy: 1.1401047708387435
Energy: 1.1507387328134584
Energy: 1.1281081832254287
Energy: 1.1257766432192133
Energy: 1.1264483130925467
Energy: 1.1258902823697572
Energy: 1.2740785323485886
Energy: 1.1754992059335907
Energy: 1.1260150608705126
Energy: 1.1430006423600956
Energy: 1.1267332125536036
Energy: 1.1366399110649337
Energy: 1.1266223102303385
Energy: 1.1750258799102684
Energy: 1.1381856217546111
Energy: 1.1623504438154113
Energy: 1.1740083725178205
Energy: 1.1357207289652924
Energy: 1.1269253101213708
Energy: 1.1102169678532317
Energy: 1.1076603040974016
Energy: 1.1245771017388058
Energy: 1.1619261225770232
Energy: 1.1361287169032335
Energy: 1.1063665110744267
Energy: 1.1070978128335056
Energy: 1.1060596098030635
Energy: 1.1058401689830661
Energy: 1.135788486906284
Energy: 1.1361682896147793
Energy: 1.1080640977016032
Energy: 1.1078761911778636
Energy: 1.1082111000174102
Energy: 1.1079127532641293
Energy: 1.1281046704489215
Energy: 1.1989006438754828
Energy: 1.1251404209248823
Energy: 1.1842320995536988
Energy: 1.2014938260082466
Energy: 1.1383066243635698
Energy: 1.0813786117471424
Energy: 1.191662055842499
Energy: 1.1261453053953068
Energy: 1.1264398833234341
Energy: 1.2089381697678663
Energy: 1.1259136329652015
Energy: 1.256442205812842
Energy: 1.1361395908846743
Energy: 1.1069177427353247
Energy: 1.1071767205371759
Energy: 1.1241442950223572
Energy: 1.107026068283729
Energy: 1.1078470116275174
Energy: 1.4762022851677907
Energy: 1.1066347083786685
Energy: 1.3116679449674984
Energy: 1.3556508313324254
Energy: 1.1141480661691088
Energy: 1.351966648213854
Energy: 1.4070676154009902
Energy: 1.0962889955209527
Energy: 1.086377010792073
Energy: 1.1339665214002321
Energy: 1.089706767206563
Energy: 1.1741509353267245
Energy: 1.29768136402293
Energy: 1.5199729634576702
Energy: 1.5185856560660476
Energy: 1.2976898365739031
Energy: 1.5190480951228622
Energy: 1.2822882603374208
Energy: 1.1771347576479094
Energy: 1.1995882453341415
Energy: 1.1617283844596535
Energy: 1.1754858701940545
Energy: 1.096617329462161
Energy: 1.1747894534670273
Energy: 1.159683562740777
Energy: 1.206894807756439
Energy: 1.1971401897534977
Energy: 1.1595822956071369
Energy: 1.1419081273102054
Energy: 1.1602831031350243
Energy: 1.271320272969455
Energy: 1.2946474218487452
Energy: 1.2309294699698248
Energy: 1.2715684954065891
Energy: 1.290556256335012
Energy: 1.1649662536359495
Energy: 1.0525470216495139
Energy: 1.1654277016461665
Energy: 1.164712609990615
Energy: 1.081727167650377
Energy: 1.197103995462232
Energy: 1.2589422661003649
Energy: 1.7489313089899035
Energy: 1.1592188442257312
Energy: 1.1580318039188164
Energy: 1.0258381559754113
Energy: 1.1584779523176614
Energy: 1.1547259944939994
Energy: 1.1265049014377195
Energy: 1.1712168768962994
Energy: 1.171375234555407
Energy: 1.1160648187467572
Energy: 1.1710764284468458
Energy: 1.1710359183681471
Energy: 1.4728615868249975
Energy: 1.1755485119366431
Energy: 1.1755899525087772
Energy: 1.1033400752225224
Energy: 1.1756997688120225
Energy: 1.1283068940681098
Energy: 1.1235917470996124
Energy: 1.1758513631804113
Energy: 1.1756787074527744
Energy: 1.1039331621901798
Energy: 1.175875606844079
Energy: 1.3377863213119492
Energy: 1.295255152314505
Energy: 1.1480057135089048
Energy: 1.093632831902145
Energy: 1.2954201066988338
Energy: 1.1489634061277803
Energy: 1.1890526075261538
Energy: 1.1298268740501365
Energy: 1.0935706275523451
Energy: 1.1049559029247347
Energy: 1.130517636399229
Energy: 1.1217060137149646
Energy: 1.10740956963474
Energy: 1.1251081327551222
Energy: 1.12382147897047
Energy: 1.079075193610982
Energy: 1.125323308032745
Energy: 1.113362891392349
Energy: 1.1259678613862651
Energy: 1.5309838310126516
Energy: 1.4863230641625378
Energy: 1.486534571327739
Energy: 1.5309698830876308
Energy: 1.485999756035572
Energy: 1.1334826085016247
Energy: 1.134973847441044
Energy: 1.1243682934727703
Energy: 1.0790933696377558
Energy: 1.1250287434927364
Energy: 1.104869040857799
Energy: 1.1570173536330057
Energy: 1.1349528388161036
Energy: 1.1086371913838198
Energy: 1.079713219493086
Energy: 1.1157553580960993
Energy: 1.108225307327834
Energy: 1.1182293293114514
Energy: 1.1361050577199017
Energy: 1.1070011683813392
Energy: 1.1068067225259506
Energy: 1.1079096008796998
Energy: 1.1065646368837136
Energy: 1.1349858844554335
Energy: 1.1914724873811036
Energy: 1.1259858828972378
Energy: 1.1263833673531334
Energy: 1.2067219005153293
Energy: 1.1258780772940478
Energy: 1.2567059659037412

minimum gb energy = 0.9752942605361122 eV
minimum distance =  2.25859320190069 Angstroms
sigma value = 57


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

Energy: 0.8239413543260885
Energy: 1.1416913707519116
Energy: 0.5771771843760871
Energy: 0.529501258713802
Energy: 0.9571235702539742
Energy: 0.8261357692032605
Energy: 1.1650608363618746
Energy: 1.016652254801309
Energy: 0.9914386796609927
Energy: 0.9944351067608846
Energy: 0.9950136549848463
Energy: 1.1403491198004299
Energy: 1.170888654014511
Energy: 1.117040747815082
Energy: 1.1095223348841465
Energy: 1.1455242791780191
Energy: 1.1293728823170097
Energy: 1.1357725573432735
Energy: 1.1674804488771098
Energy: 1.1436045022556351
Energy: 1.1639577631403806
Energy: 1.076270542332945
Energy: 1.1182086758990446
Energy: 1.1316143388385531
Energy: 1.1713710331522118
Energy: 0.675246662553731
Energy: 0.6991406454566131
Energy: 1.1720775256310367
Energy: 0.5264365356218906
Energy: 1.119237377858381
Energy: 1.1948395976021977
Energy: 0.6745484232195619
Energy: 0.6748664492096161
Energy: 1.1962491682638863
Energy: 0.5261945652555192
Energy: 0.5743922297349697
Energy: 1.1557388935791992
Energy: 1.1048703520899195
Energy: 1.148371221489018
Energy: 1.1853472734724602
Energy: 1.11780465790615
Energy: 1.1813958999052823
Energy: 1.1337659976255507
Energy: 1.1481057831427786
Energy: 1.1453319434667297
Energy: 1.1342571953532414
Energy: 1.143443779525969
Energy: 1.138287900674761
Energy: 1.134512746453809
Energy: 1.1390142363232212
Energy: 1.1631280028201225
Energy: 1.1645839104823708
Energy: 1.1497340911051042
Energy: 1.1724442370179946
Energy: 0.5260371732655873
Energy: 1.1963969034840287
Energy: 0.5762095875570967
Energy: 0.5261367854505791
Energy: 1.208061444386876
Energy: 0.5267313706187796
Energy: 0.5261251186236312
Energy: 1.1549823404497317
Energy: 1.152354582345124
Energy: 0.5262744338596983
Energy: 1.1350065261430644
Energy: 0.5750969997016734
Energy: 1.2077773682055561
Energy: 1.1533844319923747
Energy: 1.1512430366234105
Energy: 1.1633926374878722
Energy: 1.1330559691441182
Energy: 1.1395781226462212
Energy: 1.1971040283762577
Energy: 1.14703918940826
Energy: 1.1450331343949318
Energy: 1.1510500500583025
Energy: 1.2024489522750839
Energy: 1.1889932416284104
Energy: 1.2109786885562004
Energy: 1.1177657974907007
Energy: 1.1178657291266125
Energy: 1.2282992271005526
Energy: 1.1191032909610386
Energy: 1.1183056649399794
Energy: 1.2737356020610502
Energy: 0.5259608864434906
Energy: 0.5261048946456772
Energy: 1.199016977510344
Energy: 0.6747335897374583
Energy: 0.6755682719629686
Energy: 1.1210621491912216
Energy: 1.1463956751744044
Energy: 1.1634305998006456
Energy: 1.1223702507636573
Energy: 0.6746138546223052
Energy: 1.1617656048913358
Energy: 1.102056810334844
Energy: 1.089953112817404
Energy: 1.152744364157981
Energy: 1.1448415092615678
Energy: 1.1129862386881793
Energy: 1.1072717444025315
Energy: 1.169964928150323
Energy: 1.1921898622488956
Energy: 0.956171737567783
Energy: 1.0043930089392497
Energy: 1.1084635805341512
Energy: 1.1135484258343435
Energy: 0.8248538167150445
Energy: 1.016524434090069
Energy: 0.9569794246365205
Energy: 0.5262721109879815
Energy: 1.0305274956938664
Energy: 0.9562593549696359

minimum gb energy = 0.5259608864434906 eV
minimum distance =  2.30120602550687 Angstroms
sigma value = 11


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

Energy: 1.843166939176245
Energy: 1.3162268311968905
Energy: 1.263531935531945
Energy: 1.638139989085524
Energy: 1.3152002679375727
Energy: 1.2625520283641596
Energy: 0.9276360948211655
Energy: 0.9240010810254665
Energy: 0.9783336382798189
Energy: 0.985247006911074
Energy: 0.9238949926151083
Energy: 1.0208379386389244
Energy: 0.9247757625883934
Energy: 0.9254532772620601
Energy: 0.9544110123518967
Energy: 0.9262549048717584
Energy: 0.9260200184469012
Energy: 0.9545722891154614
Energy: 0.9247469442810826
Energy: 1.0056193997873673
Energy: 1.0582521628224646
Energy: 0.9258967617826004
Energy: 0.9274214591796759
Energy: 0.9528846928423625
Energy: 0.9260972611731172
Energy: 1.0726300984196357
Energy: 1.0239179537478666
Energy: 0.925963378372453
Energy: 1.1484239266264102
Energy: 0.9805305777593449
Energy: 1.242395288690852
Energy: 1.3254990568113534
Energy: 1.3263561363746694
Energy: 1.2434535789642331
Energy: 1.3254158829289222
Energy: 1.0127124542397465
Energy: 1.0026726434445836
Energy: 0.968249994335419
Energy: 1.0394322317719529
Energy: 0.9248159196972057
Energy: 1.011166684542958
Energy: 1.0087819555590818
Energy: 0.9557413572525547
Energy: 1.0176741531889448
Energy: 1.0187187729002607
Energy: 0.9564034877498283
Energy: 1.0171943358639417
Energy: 1.192733434688021
Energy: 1.2407385809449332
Energy: 1.0100591236659342
Energy: 0.9545534385491898
Energy: 0.9563007469681549
Energy: 1.0099704165576502
Energy: 0.9466436162045119
Energy: 1.5875501750937098
Energy: 1.0141332795289462
Energy: 1.014758964231586
Energy: 1.489673661886931
Energy: 1.0145515433135792
Energy: 1.1461333629097123
Energy: 1.3107724963076892
Energy: 1.009823920141948
Energy: 1.0367478699521928
Energy: 1.1468842601287075
Energy: 1.2364920703406321
Energy: 1.0365889093481213
Energy: 1.2415180934074526
Energy: 0.889761359271099
Energy: 1.005354724101739
Energy: 1.2410237346869797
Energy: 0.8934269395502048
Energy: 0.9846856458392225
Energy: 1.1534739537723655
Energy: 0.8911703211972464
Energy: 1.0407795570393579
Energy: 1.1538586020756876
Energy: 0.8936313085151738
Energy: 1.1536321944465535
Energy: 1.1500596308204023
Energy: 0.9840303216856272
Energy: 1.1049097569835147
Energy: 1.1481959107167918
Energy: 1.082302118236941
Energy: 1.090392956850695
Energy: 1.148137849355066
Energy: 1.4810025809163732
Energy: 1.484525021416933
Energy: 1.1483361422594576
Energy: 1.4721742235890802
Energy: 1.1476967110753318
Energy: 1.5809386749834675
Energy: 1.0605538339731606
Energy: 1.0041711023854814
Energy: 1.4039341535513432
Energy: 1.148522068619255
Energy: 1.1230133436334122
Energy: 1.3685620337893691
Energy: 1.4871423222218618
Energy: 1.3299347101979553
Energy: 1.3354074919570398
Energy: 1.603748278373875
Energy: 1.1632068977763734
Energy: 1.6328670426025829
Energy: 1.146959901073214
Energy: 1.1441268506665419
Energy: 1.1300620432287865
Energy: 1.1469640391785767
Energy: 1.051113033608129
Energy: 1.3410321869574646
Energy: 1.0628416599213701
Energy: 1.0625235447484267
Energy: 1.0112851839026387
Energy: 1.1490651448653444
Energy: 1.0345841453033675
Energy: 1.1617306937268892
Energy: 1.3581412491332505
Energy: 1.1779559130029797
Energy: 1.1582180971882754
Energy: 1.3396301135546087
Energy: 1.2633736326749294
Energy: 1.5803682438199451
Energy: 1.1359475893674293
Energy: 1.0035866669210118
Energy: 1.1680715085716866
Energy: 1.1644980812058385
Energy: 1.036337565786363
Energy: 1.0137846834638096
Energy: 1.414157607450696
Energy: 1.4153081050469116
Energy: 1.013867784504586
Energy: 1.3385750868223492
Energy: 1.2039093183773606
Energy: 1.0130436932203137
Energy: 0.9503961605931284
Energy: 1.0240847254020506
Energy: 1.0129286033322773
Energy: 0.9943009867744809
Energy: 1.0261044241504074
Energy: 1.0156816675407037
Energy: 0.9559796645879978
Energy: 1.0115494542790264
Energy: 1.0180720587897074
Energy: 0.927907906784679
Energy: 1.0120196761051587
Energy: 0.924830873844382
Energy: 0.9247934419268992
Energy: 0.9253108067399124
Energy: 0.9262921253249585
Energy: 0.926062471753719
Energy: 1.0445847919405051
Energy: 1.5299920307376105
Energy: 0.9526865782353238
Energy: 0.9796195906834184
Energy: 1.1665717906063604
Energy: 0.927490008945557
Energy: 0.9488292541260759

minimum gb energy = 0.889761359271099 eV
minimum distance =  2.32727061867736 Angstroms
sigma value = 41


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

Energy: 1.7899023292188176
Energy: 1.1147317176576623
Energy: 1.0672784228010064
Energy: 1.4253978258688131
Energy: 1.1145966601247703
Energy: 1.3667668635315715
Energy: 1.0226931432897237
Energy: 1.0224361664339323
Energy: 1.0890366423284956
Energy: 1.0476397515033609
Energy: 1.022283684744147
Energy: 1.0560590171353357
Energy: 1.025151721746184
Energy: 1.025697061911714
Energy: 1.0260356825339256
Energy: 1.0249900874773366
Energy: 1.0245683329637925
Energy: 1.082516383551477
Energy: 1.024343170737602
Energy: 1.1039579800991908
Energy: 1.1031976612167156
Energy: 1.024040676794259
Energy: 1.0230336873168966
Energy: 1.0662045826397863
Energy: 1.0230624242084696
Energy: 1.1530398919276
Energy: 1.1092051463496797
Energy: 1.0229784842954932
Energy: 1.1163594265360928
Energy: 1.0822113105673192
Energy: 1.4458564405981302
Energy: 1.205816175634593
Energy: 1.1663508676687384
Energy: 1.4445070333247805
Energy: 1.2056683726229362
Energy: 1.1669306156762564
Energy: 1.147277892443385
Energy: 1.025266555789087
Energy: 1.0235260388428105
Energy: 1.022870309249697
Energy: 1.0675457949594214
Energy: 1.1264182837362218
Energy: 1.0729737980791518
Energy: 1.1900781302379766
Energy: 1.1902422656414278
Energy: 1.0735007511442791
Energy: 1.1900197484450201
Energy: 1.104774277184067
Energy: 1.4409566249162884
Energy: 1.13315393371933
Energy: 1.0766418660675758
Energy: 1.0593380367250247
Energy: 1.1174759770412905
Energy: 1.0560970503300846
Energy: 1.3932895400879064
Energy: 1.1666584130667341
Energy: 1.1668727849450624
Energy: 1.2995668000958205
Energy: 1.16655890908608
Energy: 1.0248545351361669
Energy: 1.4586699722553136
Energy: 1.0244357189560258
Energy: 1.0571498883397399
Energy: 1.022371110170411
Energy: 1.048674395452478
Energy: 1.116201244708315
Energy: 1.626221763300119
Energy: 1.00673190174288
Energy: 1.1222443446627701
Energy: 1.4427774552514565
Energy: 0.9691183648009324
Energy: 1.0627914531426728
Energy: 1.1668443142066165
Energy: 0.9700647501087409
Energy: 1.3413168984089776
Energy: 1.1668764532988862
Energy: 0.9697788285101201
Energy: 1.3414183434204057
Energy: 1.1175776081346998
Energy: 1.1021890375883419
Energy: 1.0550884590197067
Energy: 1.1178102619925958
Energy: 1.08307225456718
Energy: 1.0898606365913246
Energy: 1.176338052735364
Energy: 1.29761954274802
Energy: 1.2957041433450402
Energy: 1.176849287566761
Energy: 1.3046268439502584
Energy: 1.1764266144968338
Energy: 1.0224238916909507
Energy: 1.0239644636402374
Energy: 1.1260163760445987
Energy: 1.0864243519486558
Energy: 1.0226489188107302
Energy: 1.0236454467539418
Energy: 1.712776362645784
Energy: 1.553582066316668
Energy: 0.9701805778089201
Energy: 1.4093261431129418
Energy: 1.515359490892124
Energy: 1.3756828614739456
Energy: 1.071805864283065
Energy: 1.0231199570506744
Energy: 1.0899132392220419
Energy: 1.2612152085984136
Energy: 1.0229622633986983
Energy: 1.048193294049602
Energy: 1.023471579602331
Energy: 1.0254350484887593
Energy: 1.0260265500502557
Energy: 1.0232955037217086
Energy: 1.0241652732226323
Energy: 1.094103345002787
Energy: 1.0252026563221261
Energy: 1.0941431564270134
Energy: 1.0218891001357013
Energy: 1.0254281776333765
Energy: 1.023762964126386
Energy: 1.0253736113698362
Energy: 1.0223659425449225
Energy: 1.0750830449504287
Energy: 1.0581557752412387
Energy: 1.0223099904737833
Energy: 1.1339836223809996
Energy: 1.126225147931477
Energy: 1.7063280411757975
Energy: 1.2060087700745494
Energy: 1.2057144559681687
Energy: 1.7059002120821385
Energy: 1.6733185922274054
Energy: 1.205253895612793
Energy: 1.4394317192298631
Energy: 1.0751570821702694
Energy: 1.0581954242162717
Energy: 1.0222664245023414
Energy: 1.157634223121977
Energy: 1.1262839315946407
Energy: 1.0726980915177515
Energy: 1.203018020287641
Energy: 1.1964388022725698
Energy: 1.0732204197514057
Energy: 1.1767380322042742
Energy: 1.182895416100444
Energy: 1.4415064786914855
Energy: 1.02462970092078
Energy: 1.0566154050069498
Energy: 1.0228607178947104
Energy: 1.118723084921277
Energy: 1.0556363902249664
Energy: 1.4583810675655469
Energy: 1.0241896215822774
Energy: 1.0249730154650083
Energy: 1.02230842950666
Energy: 1.1665854417739194
Energy: 1.1160961644122633
Energy: 1.3934621109563021
Energy: 1.1667185431547846
Energy: 1.0240945325164248
Energy: 1.2999854815092267
Energy: 1.4409718621461238
Energy: 1.057166911832065
Energy: 1.4413424079707176
Energy: 1.0073653211168339
Energy: 1.115699938509385
Energy: 1.025638912519957
Energy: 0.9685787558236153
Energy: 1.0558190924507003
Energy: 1.1667697116029347
Energy: 1.4206745106907146
Energy: 1.3795874297026014
Energy: 1.166684941117911
Energy: 1.4184449356660225
Energy: 1.379178550615782
Energy: 1.116744792495246
Energy: 1.0552999710275592
Energy: 1.1494996042897283
Energy: 1.1170445867118883
Energy: 1.056399535989673
Energy: 1.1491935567162719
Energy: 1.1889578761265114
Energy: 1.273799475177519
Energy: 1.1610950652892467
Energy: 1.1894406541008626
Energy: 1.3064728394038376
Energy: 1.1604052468996946
Energy: 1.0226890964015583
Energy: 1.0265820711249911
Energy: 1.0930104121729576
Energy: 1.0227115179054271
Energy: 1.0231489468087904
Energy: 1.0669090516969868
Energy: 1.7127204873214472
Energy: 1.04955262060707
Energy: 0.9697905133109301
Energy: 1.4095122096333454
Energy: 1.4427695779218381
Energy: 1.048159357766658

minimum gb energy = 0.9685787558236153 eV
minimum distance =  2.31546538303604 Angstroms
sigma value = 33


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

Energy: 1.3812506742868933
Energy: 1.2683358764463533
Energy: 1.120427945998393
Energy: 1.384334064998452
Energy: 1.3322574335778767
Energy: 1.1207932909735492
Energy: 1.127780768920949
Energy: 1.1230666707707135
Energy: 1.0871039750409701
Energy: 1.0885753192178078
Energy: 1.1260742663103893
Energy: 1.086841606783398
Energy: 1.13080558580417
Energy: 1.0909149605490749
Energy: 1.0917796194522105
Energy: 1.1309138342552585
Energy: 1.1792779417475872
Energy: 1.0946859404913418
Energy: 1.1336471264602996
Energy: 1.1328587478090824
Energy: 1.0908764116847525
Energy: 1.1310640907784129
Energy: 1.176975422802712
Energy: 1.0895083677813069
Energy: 1.12737786795508
Energy: 1.091566571790707
Energy: 1.0537117573784909
Energy: 1.1234930279963513
Energy: 1.1331996112068432
Energy: 1.1904822205472925
Energy: 1.2325553597428898
Energy: 1.060607415766324
Energy: 1.0619688365827629
Energy: 1.2315620100373847
Energy: 1.4921125681803653
Energy: 1.0603277059047749
Energy: 1.2945875675595602
Energy: 1.0537345637720814
Energy: 1.0916371334613841
Energy: 1.1279896614006724
Energy: 1.090620480637638
Energy: 1.0889738814783607
Energy: 1.192274318915629
Energy: 1.102386376525368
Energy: 1.1288824220913902
Energy: 1.1999311640664883
Energy: 1.103777975364246
Energy: 1.0917625436011063
Energy: 1.1973492480077328
Energy: 1.0511996716244891
Energy: 1.051085566365921
Energy: 1.2054595134384947
Energy: 1.0538532305912125
Energy: 1.0512745102926064
Energy: 1.2949792188857432
Energy: 1.0571421022720775
Energy: 1.0607430722946738
Energy: 1.1305449764950117
Energy: 1.0600877077548412
Energy: 1.0543978554142923
Energy: 1.295094939385
Energy: 1.171941700768712
Energy: 1.091027442052751
Energy: 1.1321317490305343
Energy: 1.1395405102855372
Energy: 1.0907450786420017
Energy: 1.1950348340032406
Energy: 1.052868240661323
Energy: 1.0517229293953108
Energy: 1.1946020098201922
Energy: 1.0572956868910481
Energy: 1.052573667938666
Energy: 1.1262726551857143
Energy: 1.0530967509658926
Energy: 1.0515974704643047
Energy: 1.1260206445625336
Energy: 1.0566444225755687
Energy: 1.2147167431742627
Energy: 1.1284026620973477
Energy: 1.1699036679914445
Energy: 1.089726621016737
Energy: 1.129920341889901
Energy: 1.211943218157664
Energy: 1.0885204757068154
Energy: 1.0530279252241557
Energy: 1.2114600628002725
Energy: 1.1286985296101728
Energy: 1.1309350654586252
Energy: 1.1803117200377786
Energy: 1.0909677230265133
Energy: 1.1241719156992644
Energy: 1.1260241337479366
Energy: 1.1784476310359577
Energy: 1.137510885710875
Energy: 1.1283576730146871
Energy: 1.0886605721159524
Energy: 1.641464957001192
Energy: 1.1608940315470133
Energy: 1.3802949834218867
Energy: 1.4908358748812671
Energy: 1.1640620384587255
Energy: 1.0553378556388846
Energy: 1.1973505257352541
Energy: 1.1253465839306478
Energy: 1.1868771481495395
Energy: 1.130427619378682
Energy: 1.2070062643181785
Energy: 1.0513756861821628
Energy: 1.1313678015789745
Energy: 1.0542644908982006
Energy: 1.0537751884429378
Energy: 1.1325731793374647
Energy: 1.1999320742439628
Energy: 1.088231125218681
Energy: 1.0547108917541814
Energy: 1.051471037188626
Energy: 1.051388504567702
Energy: 1.054386934381641
Energy: 1.1998700325435103
Energy: 1.0936555195720958
Energy: 1.0535514913963908
Energy: 1.0893690768448698
Energy: 1.0517757508000067
Energy: 1.0543701505492944
Energy: 1.1792008748833243
Energy: 1.0532944579299868
Energy: 1.3496672881983478
Energy: 1.0630918460138323
Energy: 1.0618417512702187
Energy: 1.3498095647625397
Energy: 1.166258628544912
Energy: 1.380466849736656
Energy: 1.2224466502991729
Energy: 1.1234012309118637
Energy: 1.0908660544335327
Energy: 1.088908652323651
Energy: 1.1250813948985803
Energy: 1.0518599939669757
Energy: 1.2000985402951538
Energy: 1.8698477945677952
Energy: 1.3905399695183482
Energy: 1.0492921006059088
Energy: 1.8201465068099993
Energy: 1.0595765201197258
Energy: 1.2955841487337314
Energy: 1.12289570699998
Energy: 1.0885457042268942
Energy: 1.054774788393133
Energy: 1.1239977181006788
Energy: 1.0887174213986068
Energy: 1.1349225000999346
Energy: 1.1802947642749007
Energy: 1.0884308968206087
Energy: 1.1302432486724645
Energy: 1.1309393137979022
Energy: 1.0940623448213282
Energy: 1.13073336977651
Energy: 1.092573497833492
Energy: 1.12900760162212
Energy: 1.1305530439233953
Energy: 1.1794482897669556
Energy: 1.0898028087751424
Energy: 1.1262281249922874
Energy: 1.0528138319303686
Energy: 1.0510449884213964
Energy: 1.1268913762547699
Energy: 1.131321391141678
Energy: 1.0874804714287136
Energy: 1.4942442487659413
Energy: 1.060970396838786
Energy: 1.0610541849882256
Energy: 1.4941335468439771
Energy: 1.4908866015888544
Energy: 1.061862825816105
Energy: 1.1971406650789398
Energy: 1.0515754569569469
Energy: 1.0511582950990526
Energy: 1.1265139867764609
Energy: 1.090189648838627
Energy: 1.0899948008083247
Energy: 1.193361026650569
Energy: 1.0907928743707427
Energy: 1.0704395197164074
Energy: 1.198845381849261
Energy: 1.0907775872257002
Energy: 1.0683510902530504
Energy: 1.1996675244257724
Energy: 1.0540871181388816
Energy: 1.0528562352980084
Energy: 1.126284921657894
Energy: 1.0556848163482624
Energy: 1.0518483117103303
Energy: 1.2954041524495292
Energy: 1.1380209009712203
Energy: 1.1378372501869414
Energy: 1.130426841455904
Energy: 1.140680596133999
Energy: 1.0930432555686078
Energy: 1.2947226566543548
Energy: 1.0895555822850225
Energy: 1.0913369852432928
Energy: 1.135903936406318
Energy: 1.3772839701985442
Energy: 1.0925526665657574
Energy: 1.1996082850609644
Energy: 1.0529998406768803
Energy: 1.0520409261838088
Energy: 1.200816988972348
Energy: 1.0563385507441767
Energy: 1.051368977850546
Energy: 1.132634757421051
Energy: 1.2138730843534091
Energy: 1.0493914526923251
Energy: 1.1331364241039836
Energy: 1.0491209358097597
Energy: 1.0492959388900895
Energy: 1.1248572886441075
Energy: 1.1709264376737567
Energy: 1.0901919626565972
Energy: 1.1259827502656066
Energy: 1.2115408064907442
Energy: 1.088185586551699
Energy: 1.0785758705616095
Energy: 1.0909238383994533
Energy: 1.0903118471332232
Energy: 1.0785761321533527
Energy: 1.131565302716516
Energy: 1.090235978250442
Energy: 1.1250067637103704
Energy: 1.1770924641319087
Energy: 1.1780745502074934
Energy: 1.1383461245654214
Energy: 1.1299295603992916
Energy: 1.0874403881390065
Energy: 1.6416602365944075
Energy: 1.1242354806101735
Energy: 1.1604453800736436
Energy: 1.4917523014325318
Energy: 1.1244696438799386
Energy: 1.0521827626098694
Energy: 1.1966118310771343
Energy: 1.2431692877159395
Energy: 1.1603578755808708
Energy: 1.1327205706782062
Energy: 1.2067096061600102
Energy: 1.0541588495454082
Energy: 1.1286828699046305
Energy: 1.2917334812791963
Energy: 1.0527189159892767
Energy: 1.1439807362315653
Energy: 1.199366974910847
Energy: 1.0923267816762339
Energy: 1.0580197960729854
Energy: 1.049600193330779
Energy: 1.0531928965116555
Energy: 1.138793432498183
Energy: 1.2001688503308223
Energy: 1.052710946497418
Energy: 1.051569565990364
Energy: 1.0517700468938722
Energy: 1.0546072019126993
Energy: 1.0524035879984084
Energy: 1.1731572217685085
Energy: 1.0508334016394776
Energy: 1.1754282804663543
Energy: 1.0638914441438885
Energy: 1.0911148212684658
Energy: 1.1740888814422048
Energy: 1.1629768557365434
Energy: 1.0963189505540931
Energy: 1.1236555996793884
Energy: 1.1789732872212408
Energy: 1.0893247806560817
Energy: 1.0550861798280744
Energy: 1.125424770634106
Energy: 1.0876674392236623
Energy: 1.3888894310104662
Energy: 1.4556175883011069
Energy: 1.0494277698590493
Energy: 1.0516502336055829
Energy: 1.456385954690847
Energy: 1.133781970331508

minimum gb energy = 1.0491209358097597 eV
minimum distance =  2.3068125345525 Angstroms
sigma value = 67


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

Energy: 1.6058706195197392
Energy: 1.2345921123607522
Energy: 1.109664653040449
Energy: 1.6099609331393412
Energy: 2.317979191414343
Energy: 1.1096100757811511
Energy: 1.2152605538694392
Energy: 1.123032470094705
Energy: 1.1226542941634086
Energy: 1.2313282666918277
Energy: 1.1994073649582346
Energy: 1.1141273666056692
Energy: 1.3585270426433784
Energy: 1.0727424269028212
Energy: 1.127350415821037
Energy: 1.2332203357604556
Energy: 1.0726057703027123
Energy: 1.1273045759951652
Energy: 1.2302930124909062
Energy: 1.1250445311077293
Energy: 1.1247493962525943
Energy: 1.230425823489291
Energy: 1.1410492766443803
Energy: 1.124738289334062
Energy: 1.2099222503754596
Energy: 1.1426248513134636
Energy: 1.1427209870895068
Energy: 1.2104672335295596
Energy: 1.1425508180575774
Energy: 1.1434647281028647
Energy: 1.2116706494353784
Energy: 1.0894511980877666
Energy: 1.2123139406386092
Energy: 1.2118669463705865
Energy: 1.3492646993961832
Energy: 1.2117546310633107
Energy: 1.3647056737865526
Energy: 1.1419562962580885
Energy: 1.1387422575300297
Energy: 1.3647318584600248
Energy: 1.210948759059313
Energy: 1.112385916559507

minimum gb energy = 1.0726057703027123 eV
minimum distance =  2.35654728459828 Angstroms
sigma value = 3


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

Energy: 2.113735904298856
Energy: 1.6014582117780594
Energy: 1.3906013875927463
Energy: 1.6430486545180252
Energy: 1.590016798920264
Energy: 1.4007750569173787
Energy: 1.1920485904192415
Energy: 1.3588632376767955
Energy: 1.305497188891083
Energy: 1.3028471619791964
Energy: 1.4492036665535988
Energy: 1.1938163958496317
Energy: 1.2566022135198036
Energy: 1.1854688168126963
Energy: 1.1845975791027903
Energy: 1.2568499201802013
Energy: 1.1853545969529942
Energy: 1.1931068159930718
Energy: 1.1996148713904247
Energy: 1.1932015072912068
Energy: 1.1929811035592843
Energy: 1.1997674718651226
Energy: 1.1845027088256788
Energy: 1.1929342723169318
Energy: 1.1916053548053354
Energy: 1.1946452060086674
Energy: 1.1943187274723208
Energy: 1.1922418195457662
Energy: 1.2611033730743773
Energy: 1.1932236130778404
Energy: 1.192267539988128
Energy: 1.2612859376397858
Energy: 1.195167555208853
Energy: 1.1926794213589855
Energy: 1.29103523813439
Energy: 1.1942806441854692
Energy: 1.1922868408097682
Energy: 1.4212716118526707
Energy: 1.2486049089923084
Energy: 1.2809953038798183
Energy: 1.425964881434053
Energy: 1.2178211734882096
Energy: 1.9546090442027606
Energy: 1.617341863768894
Energy: 1.3798307002103998
Energy: 1.9588488679476697
Energy: 1.6161116787452896
Energy: 1.3964130429510582
Energy: 1.1948958489646628
Energy: 1.2214429457230884
Energy: 1.2983209564016218
Energy: 1.2551151043134823
Energy: 1.3580361678469828
Energy: 1.215139469616238
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Energy: 1.2259367956075429
Energy: 1.2258769393866482
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Energy: 1.2263980862713424
Energy: 1.3519910973089475
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Energy: 1.2463367436692088
Energy: 1.3743391748882239
Energy: 1.3747182473721762
Energy: 1.2357157291119842
Energy: 1.3655089926358412
Energy: 1.2466359040235457
Energy: 1.1958539650665756
Energy: 1.342665259470949
Energy: 1.1947936203459215
Energy: 1.1968299986211144
Energy: 1.3499156524319593
Energy: 1.1949528928236315
Energy: 1.1968352884790665
Energy: 1.3293986390572425
Energy: 1.1943817283334897
Energy: 1.1970880672278736
Energy: 1.3387563817852957
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Energy: 1.3408601518935583
Energy: 1.2013712178833436
Energy: 1.1948691498552246
Energy: 1.7238984838236715
Energy: 1.1965324513387587
Energy: 1.1966778944589362
Energy: 1.2918467793903807
Energy: 1.1961129857347454
Energy: 1.1969425858771403
Energy: 1.4516663108737289
Energy: 1.195840384373119
Energy: 1.258788144537451
Energy: 1.4539216602556315
Energy: 1.2529956556085915
Energy: 1.2583112181088325
Energy: 1.5891930423839085
Energy: 1.2809816443316584
Energy: 1.2809597808924307
Energy: 1.5763702014443306
Energy: 1.2180209319963777
Energy: 1.4317559961571045
Energy: 1.3838228808281188
Energy: 1.2659076790669948
Energy: 1.2668708099470307
Energy: 1.3837651012236567
Energy: 1.4088530957011438
Energy: 1.265677992581429
Energy: 1.5371647533570458
Energy: 1.4373064531735593
Energy: 1.239044461239282
Energy: 1.3804129057677286
Energy: 1.1945209922888633
Energy: 1.1933714276768632
Energy: 1.595036497627853
Energy: 1.2662694791121574
Energy: 1.2390685087692088
Energy: 1.358083761422607
Energy: 1.2671065896141485
Energy: 1.2260122538235927
Energy: 1.2739936657053663
Energy: 1.262965109156518
Energy: 1.265622202106645
Energy: 1.2786271087114285
Energy: 1.278943096658899
Energy: 1.2704514663732613
Energy: 1.2781713346620616
Energy: 1.265982826050993
Energy: 1.2742136793859182
Energy: 1.2838847471693624
Energy: 1.2635952349940869
Energy: 1.2753783467845317
Energy: 1.2740043220439612
Energy: 1.26992894040496
Energy: 1.344087404057494
Energy: 1.2763826398978944
Energy: 1.2909095036207867
Energy: 1.3454410421759968
Energy: 1.274308320279369
Energy: 1.1954359663095342
Energy: 1.1949583029258957
Energy: 1.2749199443374073
Energy: 1.196193488823912
Energy: 1.275988186956618
Energy: 1.1900433325601714
Energy: 1.1776257571176634
Energy: 1.177222138860409
Energy: 1.1769409909358735
Energy: 1.4471827496581904
Energy: 1.1773790842953198
Energy: 2.000821251859636
Energy: 1.4844684251041835
Energy: 1.363961159791415
Energy: 1.178964265600245
Energy: 1.3839883582686634
Energy: 1.3068489916713288
Energy: 1.3184423397580483
Energy: 1.5350408536891238
Energy: 1.3776080602230187
Energy: 1.318973387513975
Energy: 1.4439672084803479
Energy: 1.1774286995033738
Energy: 1.177235986418093
Energy: 1.177585384842757
Energy: 1.1771697686258495
Energy: 1.1771417064507559
Energy: 1.4974312785324968
Energy: 1.1775229891464658
Energy: 1.2103749800510197
Energy: 1.1864237807731424
Energy: 1.1853545220494408
Energy: 1.2100906748885814
Energy: 1.1860395958168144
Energy: 1.2115398323254347
Energy: 1.2097068152297916
Energy: 1.2493172727567932
Energy: 1.2373883992278272
Energy: 1.212096418249967
Energy: 1.3773413756805721
Energy: 1.2255776706388386
Energy: 1.2118418653630372
Energy: 1.2668485812137624
Energy: 1.24325812730156
Energy: 1.212403081035747
Energy: 1.3191710104941907
Energy: 1.2662433080531827
Energy: 1.219555770426194
Energy: 1.2650061376338584
Energy: 1.2656557189096196
Energy: 1.2091192559256327
Energy: 1.450777663056345
Energy: 1.273718162553236
Energy: 1.8025408563457737
Energy: 1.4038118213894473
Energy: 1.3222252100539489
Energy: 1.1946581631042898
Energy: 1.4035912808319866
Energy: 1.2811959389031178
Energy: 1.2500091044601613
Energy: 1.3720161084473304
Energy: 1.1956117622184448
Energy: 1.2771742252543408
Energy: 1.1947818971571709
Energy: 1.1966330653062855
Energy: 1.269709828815342
Energy: 1.24581073812279
Energy: 1.2464243566832924
Energy: 1.2698448915593352
Energy: 1.4260233768468966
Energy: 1.2424419697386928
Energy: 1.397060525623536
Energy: 1.2255425630270826
Energy: 1.2257361611658628
Energy: 1.3967989726867942
Energy: 1.226311229255776
Energy: 1.3521612254792692
Energy: 1.4030939879948927
Energy: 1.195035231319408
Energy: 1.1950427256646436
Energy: 1.2828684280873242
Energy: 1.32956268770569
Energy: 1.353078331244001
Energy: 1.6177248790846384
Energy: 1.196488389045164
Energy: 1.1959860909980478
Energy: 1.3591336896073454
Energy: 1.195847145865619
Energy: 1.355543272684941
Energy: 1.343027648412084
Energy: 1.1944803994162887
Energy: 1.1944871159020902
Energy: 1.3447155706406955
Energy: 1.2016604770291228
Energy: 1.1951106285684545
Energy: 1.7195529742525621
Energy: 1.1947942799783358
Energy: 1.1960460344006878
Energy: 1.2435274866377828
Energy: 1.194289782806015
Energy: 1.1963297104843296
Energy: 1.4158847121895208
Energy: 1.1947360220354253
Energy: 1.1948347940962882
Energy: 1.3082350707446142
Energy: 1.194391203790484
Energy: 1.1945117904614673
Energy: 1.4147741792254562
Energy: 1.353263481838617
Energy: 1.3492457835886513
Energy: 1.4146948769697565
Energy: 1.237195853472151
Energy: 1.2907884725960008
Energy: 1.600861757682915
Energy: 1.280575555605866
Energy: 1.280477581693368
Energy: 1.600397221519269
Energy: 1.184319957112959
Energy: 1.3494495693785251
Energy: 1.3038407667467218
Energy: 1.2496997886015517
Energy: 1.1948410047621836
Energy: 1.3779679027655285
Energy: 1.382133196947704
Energy: 1.1946413341684492
Energy: 1.8415872228966705
Energy: 1.2576355496683091
Energy: 1.272025130109658
Energy: 1.8424584421839354
Energy: 1.2574548270741315
Energy: 1.2724240572422665
Energy: 1.2587822927698662
Energy: 1.2665173980185038
Energy: 1.2397516369601078
Energy: 1.2709484482546531
Energy: 1.259944943316966
Energy: 1.2762225605611661
Energy: 1.2572888555032675
Energy: 1.2799815694234356
Energy: 1.2329613292896089
Energy: 1.2599700315293119
Energy: 1.2752838726134743
Energy: 1.2342772204013535
Energy: 1.2705544307087706
Energy: 1.2404430198985936
Energy: 1.2400046717018973
Energy: 1.2567669050004098
Energy: 1.2751938352644923
Energy: 1.2394917773754077
Energy: 1.2656050302873112
Energy: 1.1935061789987618
Energy: 1.1932432752670483
Energy: 1.2667931130432861
Energy: 1.194610045350554
Energy: 1.1932150965266217
Energy: 1.3457974080439838
Energy: 1.1936007237809143
Energy: 1.1931671983373617
Energy: 1.3468139432229749
Energy: 1.1957410829160824
Energy: 1.1932121320174656
Energy: 1.1835471027473525
Energy: 1.2741723670190628
Energy: 1.237605997373901
Energy: 1.3727833267400218
Energy: 1.419524621713934
Energy: 1.3066513593913318

minimum gb energy = 1.1769409909358735 eV
minimum distance =  2.29257679729168 Angstroms
sigma value = 81


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

Energy: 2.05598398123325
Energy: 1.167104390481245
Energy: 1.2114602765433153
Energy: 1.2109204385399226
Energy: 1.1698016554854218
Energy: 1.2103229160296087
Energy: 1.1667440243148905
Energy: 1.1710436054859925
Energy: 1.2785259045744797
Energy: 1.171014816155745
Energy: 1.1710897808783207
Energy: 1.2087716737642782
Energy: 1.1661172505736683
Energy: 1.20274494694642
Energy: 1.1604544025953147
Energy: 1.1665489367010988
Energy: 1.1614463737972638
Energy: 1.1695100757354198
Energy: 1.1663117691871527
Energy: 1.2016772003835101
Energy: 1.2068269184603138
Energy: 1.1661923479771779
Energy: 1.1604419657785248
Energy: 1.2813512336704524
Energy: 1.1661975896395342
Energy: 1.2053106811200727
Energy: 1.2054167092942711
Energy: 1.1663205805624646
Energy: 1.1666006056403633
Energy: 1.2052736429450948
Energy: 1.2696963019161156
Energy: 1.1660972935076435
Energy: 1.168055460967324
Energy: 1.2699560564678067
Energy: 1.2090475030595393
Energy: 1.1669338259013757
Energy: 1.1642332059780467
Energy: 1.1717419466113994
Energy: 1.2091088670833459
Energy: 1.1735458179361864
Energy: 1.171428402297912
Energy: 1.2108193684949806
Energy: 1.634390975576105
Energy: 1.444596531671317
Energy: 1.4175716812060528
Energy: 1.6340029847214876
Energy: 1.446477970070215
Energy: 1.199450922331574
Energy: 1.166950328651746
Energy: 1.1716971442427935
Energy: 1.2081043590785223
Energy: 1.1722131887467448
Energy: 1.1712851128247073
Energy: 1.206943789570577
Energy: 1.277386749814749
Energy: 1.160938071643408
Energy: 1.1606391063349712
Energy: 1.2603937492072732
Energy: 1.1609647301199362
Energy: 1.1608869109972282
Energy: 1.1712022325897788
Energy: 1.159999452698714
Energy: 1.1598431050595046
Energy: 1.1713940548250394
Energy: 1.1597779255059772
Energy: 1.20855891451045
Energy: 1.1612711504892455
Energy: 1.2809008437517988
Energy: 1.165029694343407
Energy: 1.1609811470566878
Energy: 1.171826423940815
Energy: 1.1676086449408056
Energy: 1.1620441752473112
Energy: 1.1663178252380593
Energy: 1.278429849145262
Energy: 1.161415120441038
Energy: 1.1659621461549108
Energy: 1.2018533339303055
Energy: 1.172644884058578
Energy: 1.1649309239258168
Energy: 1.1656649625491344
Energy: 1.1729930140073928
Energy: 1.164947006982856
Energy: 1.28283499016108
Energy: 1.6453051196118207
Energy: 1.1653381030586973
Energy: 1.2332712689909222
Energy: 1.2093041079113513
Energy: 1.2829900179943918
Energy: 1.1674688402574493
Energy: 1.1717397895050032
Energy: 1.2783924071596562
Energy: 1.279930057776799
Energy: 1.171900589885108
Energy: 1.1717846281344009
Energy: 1.2074958131539586
Energy: 1.4185392615206258
Energy: 1.1622259864840916
Energy: 1.1997821602197554
Energy: 1.4186550536823213
Energy: 1.2045024001086326
Energy: 1.2571240824325933
Energy: 1.1669544815723747
Energy: 1.1708925896251412
Energy: 1.2078813647797317
Energy: 1.1727021074569215
Energy: 1.1718493348142267
Energy: 1.2079547078993407
Energy: 1.162155532774874
Energy: 1.279909625503697
Energy: 1.1599888013942896
Energy: 1.2007062104158015
Energy: 1.2710590696475241
Energy: 1.159718731364001
Energy: 1.428851843943148
Energy: 1.279792042789872
Energy: 1.1600757278772449
Energy: 1.1606871141453747
Energy: 1.1727219544549146
Energy: 1.160084265530358
Energy: 1.1666203748914425
Energy: 1.1749309341749794
Energy: 1.2110878099392908
Energy: 1.1715877864780517
Energy: 1.1729587475670562
Energy: 1.2797256468626763
Energy: 1.1663049901498028
Energy: 1.1605045511181418
Energy: 1.1609716826550134
Energy: 1.1666529956311569
Energy: 1.162258329546209
Energy: 1.2220184064682318
Energy: 1.1648027675008579
Energy: 1.2074657988656614
Energy: 1.283300035704727
Energy: 1.1660769147395411
Energy: 1.1725296670491856
Energy: 1.1640340606609485
Energy: 1.1667036157400128
Energy: 1.2052633403887443
Energy: 1.2058739593872871
Energy: 1.1667349413936379
Energy: 1.166374495892171
Energy: 1.206055728144885
Energy: 1.2787906409850862
Energy: 1.2074693563692003
Energy: 1.2086992158730598
Energy: 1.2790641681899666
Energy: 1.172130046309904
Energy: 1.16572649214437
Energy: 1.5725526001817787
Energy: 1.4172198569719425
Energy: 1.2082803537726756
Energy: 1.2039282640729227
Energy: 1.4179738251608087
Energy: 1.2084290778373161
Energy: 1.1689398789711136
Energy: 1.1723525796532916
Energy: 1.1668084256771318
Energy: 1.2039070891348123
Energy: 1.1720769849466572
Energy: 1.2078289522109813
Energy: 1.2799185403181375
Energy: 1.1600296949458384
Energy: 1.2085064831497485
Energy: 1.278989086864179
Energy: 1.15976683684378
Energy: 1.2089018802290499
Energy: 1.172759961965114
Energy: 1.1611405628090508
Energy: 1.1613072169975975
Energy: 1.172985185787453
Energy: 1.1617377915663303
Energy: 1.161669753429548
Energy: 1.1720337308279714
Energy: 1.2797154103615886
Energy: 1.2083907613559586
Energy: 1.1730428741907692
Energy: 1.1711991032684363
Energy: 1.2064937266012654
Energy: 1.162179429977502
Energy: 1.324627037127093
Energy: 1.167601344393109
Energy: 1.1617189196993865
Energy: 1.2591023194741728
Energy: 1.2043925885307227
Energy: 1.172505291477017
Energy: 1.165358369227909
Energy: 1.1651911259260095
Energy: 1.170325011056903
Energy: 1.1652495678284474
Energy: 1.1662163295004278
Energy: 1.171742841683261
Energy: 1.2798250232186683
Energy: 1.2060790980703695
Energy: 1.2087009655177186
Energy: 1.165901508167158
Energy: 1.205817707690066
Energy: 1.1714929740865867
Energy: 1.1651441135124723
Energy: 1.165129843737709
Energy: 1.1715471053784636
Energy: 1.347571474030597
Energy: 1.1664070810819078
Energy: 1.171607596992636
Energy: 1.2076751193476618
Energy: 1.2081731329623973
Energy: 1.1716150816386695
Energy: 1.2033433033542766
Energy: 1.2088250879395053
Energy: 1.4255098894651173
Energy: 1.2043060615672576
Energy: 1.162752625778761
Energy: 1.4255878017706856
Energy: 1.2041590856099265
Energy: 1.3251071839363764
Energy: 1.1689831571655458
Energy: 1.1711508855951267
Energy: 1.2788460747095804
Energy: 1.1727300261183267
Energy: 1.1714836261871426
Energy: 1.2073448690885995
Energy: 2.057457721198646
Energy: 1.3449461881343145
Energy: 1.2116497614859632
Energy: 1.1624533121312401
Energy: 1.2650597485761272
Energy: 1.2121465037955192

minimum gb energy = 1.159718731364001 eV
minimum distance =  2.35854197832692 Angstroms
sigma value = 43


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

Energy: 2.153356323376888
Energy: 1.5851537243523708
Energy: 1.4200837639652004
Energy: 1.2891735399077255
Energy: 1.5849574313084775
Energy: 1.2890641048895102
Energy: 1.2426806826526946
Energy: 1.210177188233257
Energy: 1.3926013278197515
Energy: 1.3126061706258518
Energy: 1.315121499817744
Energy: 1.372838965541235
Energy: 1.223574295205966
Energy: 1.2072511667142711
Energy: 1.2094421283310794
Energy: 1.2236715880229352
Energy: 1.2153285547043438
Energy: 1.2264324154121227
Energy: 1.2269724766206815
Energy: 1.2160798953212033
Energy: 1.2322401032026922
Energy: 1.2233246906677353
Energy: 1.3871697770674414
Energy: 1.2236462332256506
Energy: 1.2396168260243479
Energy: 1.250181247983459
Energy: 1.2984429241057183
Energy: 1.239837225680395
Energy: 1.2866828407312618
Energy: 1.2985044115909878
Energy: 1.2495547867833043
Energy: 1.2866677059238525
Energy: 1.2990252419578179
Energy: 1.2559877166373656
Energy: 1.223976698108731
Energy: 1.2980663472440228
Energy: 1.240425069562343
Energy: 1.23866186087164
Energy: 1.2417668245678655
Energy: 1.2404026196807163
Energy: 1.2424430119461305
Energy: 1.231941137891416
Energy: 1.40497290150101
Energy: 1.224166042889656
Energy: 1.2234190140506191
Energy: 1.3253036041477027
Energy: 1.2247534990191424
Energy: 1.3227228206537123
Energy: 1.315512849651642
Energy: 1.247587932440077
Energy: 1.2473177778690872
Energy: 1.3151635023605024
Energy: 1.2485853179293263
Energy: 1.2479466028969293
Energy: 1.4055317966894265
Energy: 1.3184376377803966
Energy: 1.3175636757841993
Energy: 1.405678176391235
Energy: 1.3190702506945602
Energy: 1.3169733637835932
Energy: 1.2005264304056333
Energy: 1.2680706969931341
Energy: 1.3245508490019657
Energy: 1.2006837233185812
Energy: 1.3898272412137056
Energy: 1.3013435639016278
Energy: 1.4180801792194035
Energy: 1.2488175218338469
Energy: 1.2475577637424151
Energy: 1.1973157283142337
Energy: 1.42235830658614
Energy: 1.2477060576342953
Energy: 1.3387160117931076
Energy: 1.23154215068896
Energy: 1.2468245821912358
Energy: 1.199832624702171
Energy: 1.2979252902649783
Energy: 1.2467011351612285
Energy: 1.2003150933796534
Energy: 1.2335960263714882
Energy: 1.3715071857100634
Energy: 1.2005902996514444
Energy: 1.3359823025452202
Energy: 1.3018615104398146
Energy: 1.20230996745175
Energy: 1.229502304879043
Energy: 1.226866935992463
Energy: 1.201397033818207
Energy: 1.305240907394671
Energy: 1.226860155553248
Energy: 1.2035599998076276
Energy: 1.2291640324565896
Energy: 1.2033900537484528
Energy: 1.2034302698588464
Energy: 1.3559548389560256
Energy: 1.2024190569877533
Energy: 1.2009737379423666
Energy: 1.2061759162955397
Energy: 1.2078500372963916
Energy: 1.20113630382987
Energy: 1.3690267847370254
Energy: 1.2037442540850865
Energy: 1.2007002282202837
Energy: 1.329325023603808
Energy: 1.2106813763304398
Energy: 1.2007555435023491
Energy: 1.4086242173601746
Energy: 1.2106520815892068
Energy: 1.3147589633941106
Energy: 1.2031176097603598
Energy: 1.2027831204369386
Energy: 1.4116543925529064
Energy: 1.3056246803086318
Energy: 1.2419103732753
Energy: 1.3137456513417798
Energy: 1.205903113165386
Energy: 1.2028620822017493
Energy: 1.2497966815310433
Energy: 1.2001604894712932
Energy: 1.2250897626314898
Energy: 1.2006949895376575
Energy: 1.312237065373498
Energy: 1.3281228251561668
Energy: 1.2005940009563367
Energy: 1.41931726166563
Energy: 1.3283180117042233
Energy: 1.4732639871622943
Energy: 1.2455014210796642
Energy: 1.3374913135365352
Energy: 1.4734803618812713
Energy: 1.2149951039983038
Energy: 1.4176330089755538
Energy: 1.4066828596747252
Energy: 1.211795043339059
Energy: 1.3287309945346044
Energy: 1.408315247205918
Energy: 1.3207354099009745
Energy: 1.3210238612080074
Energy: 1.393073700461467
Energy: 1.4678120041894511
Energy: 1.2030341414542034
Energy: 1.4348775172065709
Energy: 1.2036234936436525
Energy: 1.203718884410522
Energy: 1.4082415973859492
Energy: 1.1997023404329892
Energy: 1.2073245125798384
Energy: 1.4086273461658838
Energy: 1.1997525072217963
Energy: 1.2030878825919025
Energy: 1.3372700918550373
Energy: 1.2003517107886263
Energy: 1.2266772268532284
Energy: 1.3729880850892051
Energy: 1.2007604405606767
Energy: 1.233265267197541
Energy: 1.3369882669600925
Energy: 1.2031602602705103
Energy: 1.2033422352614136
Energy: 1.336929051620424
Energy: 1.2010710613004683
Energy: 1.203167517815372
Energy: 1.2967143467149846
Energy: 1.347598047659205
Energy: 1.2325999557615777
Energy: 1.2966905063871694
Energy: 1.3140642236719655
Energy: 1.232822682226971
Energy: 1.3071343407947817
Energy: 1.223032157662937
Energy: 1.2237811122602271
Energy: 1.3059484951773206
Energy: 1.3187847286333443
Energy: 1.2246734035454458
Energy: 1.224189795838574
Energy: 1.2102709829434308
Energy: 1.3701586136717347
Energy: 1.3121072735758552
Energy: 1.314838507949203
Energy: 1.2471935016494242
Energy: 2.1572833803251603
Energy: 1.4378812341557565
Energy: 1.4421966248974405
Energy: 1.246335115926226
Energy: 1.4352055360943903
Energy: 1.3883853792142613

minimum gb energy = 1.1973157283142337 eV
minimum distance =  2.26558660671652 Angstroms
sigma value = 57


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

Energy: 1.7634086235461912
Energy: 1.349826324295903
Energy: 1.3857143100440819
Energy: 1.6806255104837986
Energy: 1.2712181360590737
Energy: 1.4941099425937576
Energy: 1.571952757536354
Energy: 1.2966457708243757
Energy: 1.294622083022498
Energy: 1.218817382097718
Energy: 1.4001867141871454
Energy: 1.2945070364553521
Energy: 1.726128572099842
Energy: 1.2186124457380618
Energy: 1.2182064739526457
Energy: 1.5673895138873712
Energy: 1.2178306416052553
Energy: 1.2178017302804338
Energy: 1.3755325392753142
Energy: 1.217808293508185
Energy: 1.2177754538400962
Energy: 1.3781491585440575
Energy: 1.2180144178236207
Energy: 1.2093393338657434
Energy: 1.3749944609878733
Energy: 1.4413349007063685
Energy: 1.3379564910424315
Energy: 1.3763334259179145
Energy: 1.3357824357726624
Energy: 1.3701288963573506
Energy: 1.217581336942585
Energy: 1.3266131696515129
Energy: 1.3637371591288256
Energy: 1.3767882501042004
Energy: 1.375588315290202
Energy: 1.371138207330516
Energy: 1.3954719418146901
Energy: 1.3736841732502085
Energy: 1.3731629536064132
Energy: 1.43443140141231
Energy: 1.3759475120879285
Energy: 1.374452690412921
Energy: 1.3072183198452587
Energy: 1.4748716760633211
Energy: 1.4448455117957215
Energy: 1.3070545488757814
Energy: 1.4269687245748537
Energy: 1.3854624832153941
Energy: 1.407698350327905
Energy: 1.3873593111292062
Energy: 1.3854781443354784
Energy: 1.408419148464767
Energy: 1.3857234864810386
Energy: 1.427471899380578
Energy: 1.6609987641086417
Energy: 1.3089257462827069
Energy: 1.3081139466077072
Energy: 1.6620602879899031
Energy: 1.308765713926291
Energy: 1.3081471495427182
Energy: 1.508554224718684
Energy: 1.307408440532877
Energy: 1.3495201222477557
Energy: 1.3564750713699525
Energy: 1.3565368868322898
Energy: 1.3458726959405622
Energy: 1.1487057365310638
Energy: 1.379969445674823
Energy: 1.3800298156437605
Energy: 1.1511455808283044
Energy: 1.5675772307605669
Energy: 1.3305845691182667
Energy: 1.158092184413778
Energy: 1.3810461043821247
Energy: 1.3313165968701806
Energy: 1.3318843923256962
Energy: 1.3815150402279317
Energy: 1.3311370316819189
Energy: 1.5049711750921486
Energy: 1.4556739978970898
Energy: 1.448955332957752
Energy: 1.357842916449907
Energy: 1.4311195627384934
Energy: 1.3499976364457773
Energy: 1.373904128141931
Energy: 1.2187492867658751
Energy: 1.2766164749804323
Energy: 1.3736226817289174
Energy: 1.2182703045961272
Energy: 1.276864278946875
Energy: 1.3732913588068099
Energy: 1.3906053610700495
Energy: 1.3954397425913878
Energy: 1.3744079260473745
Energy: 1.564716360062157
Energy: 1.4005374102380348
Energy: 1.3946815436548243
Energy: 1.3673534984344866
Energy: 1.3680696988216225
Energy: 1.3929531291484265
Energy: 1.404398286506368
Energy: 1.3669768640700506
Energy: 1.3946094659082289
Energy: 1.375102432334718
Energy: 1.3808246925054455
Energy: 1.4362264468122927
Energy: 1.3746066466682545
Energy: 1.381694223925949
Energy: 1.433119855020321
Energy: 1.3749778096208245
Energy: 1.406168747016664
Energy: 1.4198428605297186
Energy: 1.3747704781127599
Energy: 1.4057518607220394
Energy: 1.3866033908664888
Energy: 1.3928493507392887
Energy: 1.3822438983050263
Energy: 1.3837948893588121
Energy: 1.5625694175004234
Energy: 1.408044589891811
Energy: 1.382344629112121
Energy: 1.4185065199415776
Energy: 1.4875570988370808
Energy: 1.3889746524159696
Energy: 1.4387191685880223
Energy: 1.2085893069025389
Energy: 1.483087360584176
Energy: 1.3083956751873804
Energy: 1.3635680007563313
Energy: 1.408607449804555
Energy: 1.3093983040298507
Energy: 1.3636735992575997
Energy: 1.5689717678759738
Energy: 1.2963464543972143
Energy: 1.2964884947083168
Energy: 1.216020955320676
Energy: 1.3985096869758087
Energy: 1.2121047152395756
Energy: 1.2701499163107597
Energy: 1.3026100141877335
Energy: 1.3312299149819007
Energy: 1.3327134248832133
Energy: 1.3028482579368577
Energy: 1.4390336303252382

minimum gb energy = 1.1487057365310638 eV
minimum distance =  2.33395137035992 Angstroms
sigma value = 17


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

Energy: 1.8750449790324932
Energy: 1.2916481124055095
Energy: 1.4013868525458257
Energy: 1.177642717533875
Energy: 1.2916365540452233
Energy: 1.177371466426334
Energy: 1.3932707400748274
Energy: 1.2372966766383298
Energy: 1.2371860460198276
Energy: 1.2532917581633596
Energy: 1.2389463470572541
Energy: 1.2205761233038919
Energy: 1.5313439349591644
Energy: 1.1725272501505064
Energy: 1.1225416034987303
Energy: 1.533689056854236
Energy: 1.1725419311942347
Energy: 1.1231229615886724
Energy: 1.2366092821787298
Energy: 1.1725787413400293
Energy: 1.1227150713140646
Energy: 1.2365356569502692
Energy: 1.065868757813423
Energy: 1.2366267492175487
Energy: 1.112321902504243
Energy: 1.195683623031221
Energy: 1.2162837066456342
Energy: 1.1128249353115376
Energy: 1.194963436382783
Energy: 1.21606805607778
Energy: 1.6322534970589717
Energy: 1.0956325112836351
Energy: 1.184622934501394
Energy: 1.2277024857917347
Energy: 1.0953611280739906
Energy: 1.230087631497269
Energy: 1.1118811900235595
Energy: 1.094710368642656
Energy: 1.0947932999948375
Energy: 1.1126281404469396
Energy: 1.0957459771891063
Energy: 1.172286558153445
Energy: 1.3444502066496378
Energy: 1.2365873454990128
Energy: 1.294509142521339
Energy: 1.2363019784984062
Energy: 1.235981379568074
Energy: 1.2534814867287174
Energy: 1.099289986886497
Energy: 1.2380932828176061
Energy: 1.2372191872981684
Energy: 1.0969479976983478
Energy: 1.187451699921543
Energy: 1.0954339524669854
Energy: 1.0948211349873047
Energy: 1.18475004543768
Energy: 1.1849422487810646
Energy: 1.0949146412492947
Energy: 1.2094327619733278
Energy: 1.1848969844205843
Energy: 1.2992898804307125
Energy: 1.2164245700134029
Energy: 1.2161190663228247
Energy: 1.3705351773866272
Energy: 1.2383935213853083
Energy: 1.194107950171347
Energy: 1.2566471817467093
Energy: 1.2366778347210736
Energy: 1.2363358327731677
Energy: 1.2569727640837665
Energy: 1.2367660609983846
Energy: 1.2364039916495182
Energy: 1.2358160209732987
Energy: 1.3667465578016442
Energy: 1.2376315783820608
Energy: 1.2169845131061232
Energy: 1.3715449034571912
Energy: 1.2631903041329309
Energy: 1.2535497786854062
Energy: 1.2379078547329943
Energy: 1.2378805298346982
Energy: 1.2532210825283208
Energy: 1.2374563322458692
Energy: 1.2374880282079062
Energy: 1.6353363350276997
Energy: 1.2373809021608744
Energy: 1.2363818034219354
Energy: 1.6346716227953324
Energy: 1.2364454027276532
Energy: 1.3657999099279123
Energy: 1.5386442023956959
Energy: 1.2810669154914374
Energy: 1.2204693335847718
Energy: 1.5331633986700333
Energy: 1.2549241346612465
Energy: 1.2370585983929228
Energy: 1.2332567558500165
Energy: 1.2371030542266317
Energy: 1.3496774643526275
Energy: 1.2327424201705484
Energy: 1.3691882783369218
Energy: 1.3499729613064806

minimum gb energy = 1.065868757813423 eV
minimum distance =  2.30961847971207 Angstroms
sigma value = 17


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

Energy: 1.9981361174950862
Energy: 1.36263927446937
Energy: 1.13744654823047
Energy: 1.1376049168997346
Energy: 1.2548544975621767
Energy: 1.180603658679018
Energy: 1.469265426259548
Energy: 1.2527381454922555
Energy: 1.262099611609744
Energy: 1.223442300443912
Energy: 1.2576698190456446
Energy: 1.1397398168243256
Energy: 1.5009063277051875
Energy: 1.1716666595810281
Energy: 1.1618387473959424
Energy: 1.4107147261787667
Energy: 1.171965309629325
Energy: 1.1403765269718815
Energy: 1.2654790558152558
Energy: 1.1627254467788237
Energy: 1.1404171442464286
Energy: 1.2700652839845943
Energy: 1.0668093548660609
Energy: 1.1398914046579223
Energy: 1.2700576454692918
Energy: 1.2147070208074555
Energy: 1.1953605272178596
Energy: 1.2530536760722004
Energy: 1.2087172024779658
Energy: 1.198338106328332
Energy: 1.763696049059417
Energy: 1.1124176950910394
Energy: 1.0391061549292269
Energy: 1.1697835227386195
Energy: 1.1125019727716232
Energy: 1.1080767359431505
Energy: 1.439568581320634
Energy: 1.1121437644767864
Energy: 1.1122251322778194
Energy: 1.4069867689362423
Energy: 1.1163679860344893
Energy: 1.1688764982632893
Energy: 1.1955772206456143
Energy: 1.1415886710757048
Energy: 1.1846962642917005
Energy: 1.2184695473359015
Energy: 1.1415630986208634
Energy: 1.2328943505293128
Energy: 1.0540833662639055
Energy: 1.15432478736655
Energy: 1.1229822882057
Energy: 1.0548098617143529
Energy: 1.1740743423087392
Energy: 1.0500203486643709
Energy: 1.0501912673917393
Energy: 1.1824778020481161
Energy: 1.183150149181845
Energy: 1.0504071000932318
Energy: 1.1835469884189818
Energy: 1.187094010795723
Energy: 1.1643357977880995
Energy: 1.0499508772754755
Energy: 1.1881925360176477
Energy: 1.179350882065135
Energy: 1.0497957263480535
Energy: 1.1884378929502726
Energy: 1.126306250567942
Energy: 1.04965800964504
Energy: 1.0495564578943775
Energy: 1.1259784604567782
Energy: 1.0496499639709602
Energy: 1.1333304468891983
Energy: 1.1743246656811328
Energy: 1.1406856295891226
Energy: 1.1433222721285115
Energy: 1.2266119453136768
Energy: 1.111889556730194
Energy: 1.18932825004128
Energy: 1.1129318307379943
Energy: 1.2095929257950202
Energy: 1.2100850372516108
Energy: 1.1144308732599009
Energy: 1.35661587222261
Energy: 1.1109408585554486
Energy: 1.111124205354092
Energy: 1.0951178079930508
Energy: 1.0956873651757268
Energy: 1.1114771893326927
Energy: 1.1560976995484413
Energy: 1.1901543018531813
Energy: 1.409518314154225
Energy: 1.2654835585665642
Energy: 1.2025672565258287
Energy: 1.3031964760868222
Energy: 1.2655903233371066
Energy: 1.1878134855072913
Energy: 1.0465210930716367
Energy: 1.2646776421248307
Energy: 1.2647842793731339
Energy: 1.0479242550525434
Energy: 1.2644655751183584
Energy: 1.0853733095093465
Energy: 1.127265489275416
Energy: 1.3730467284543204
Energy: 1.2735336825062895
Energy: 1.1275880838766283
Energy: 1.3753321326831005
Energy: 1.1522486688118385
Energy: 1.4089574860443401
Energy: 1.273913217088076
Energy: 1.2202326654342812
Energy: 1.3123786071289074
Energy: 1.1937584967673256
Energy: 1.205872042748749
Energy: 1.6723081154543484
Energy: 1.087091795580783
Energy: 1.1884156366423977
Energy: 1.6284305556854548
Energy: 1.1564658875875744
Energy: 1.2615993838375832
Energy: 1.4661122920920644
Energy: 1.273572551500866
Energy: 1.2775373046871905
Energy: 1.2436101994938615
Energy: 1.2742023168191952
Energy: 1.1791075938555038
Energy: 1.0049267799951762
Energy: 1.386282111067631
Energy: 1.3025096707457602
Energy: 1.1264558043633301
Energy: 1.3863968229884471
Energy: 1.0964969154640254
Energy: 1.0103107445203356
Energy: 1.2872162635561153
Energy: 1.287231861031883
Energy: 1.0116390337141346
Energy: 1.275461458876622
Energy: 1.3016513323719106
Energy: 1.458440349116914
Energy: 1.171758964304976
Energy: 1.2452806847323363
Energy: 1.3818289036352727
Energy: 1.060416827681012
Energy: 1.2392466510359414
Energy: 1.269419941365481
Energy: 1.1436346276123983
Energy: 1.1620883963171653
Energy: 1.2681387635859924
Energy: 1.1724404712144278
Energy: 1.1406461528870733
Energy: 1.2700564997807393
Energy: 1.2103370837352383
Energy: 1.2109018744458429
Energy: 1.170850593936732
Energy: 1.2149429332936752
Energy: 1.2061723249849914
Energy: 1.1398749775306396
Energy: 1.1263519461732876
Energy: 1.1251260343881886
Energy: 1.169560689764994
Energy: 1.1365659236483283
Energy: 1.0752633225027823
Energy: 1.0307603328410657
Energy: 1.115661992820804
Energy: 1.1154381240485587
Energy: 1.0309806498688023
Energy: 1.1198150052157305
Energy: 1.1153962077800597
Energy: 1.4445935586537426
Energy: 1.2034224658588109
Energy: 1.2096314136270236
Energy: 1.20948779156138
Energy: 1.1424027696954242
Energy: 1.2085379777832157
Energy: 1.0505536714415824
Energy: 1.141351515502272
Energy: 1.191812548837102
Energy: 1.050719536519593
Energy: 1.1412812576398481
Energy: 1.1674110781752736
Energy: 1.057536498397161
Energy: 1.1865756151409872
Energy: 1.1838030022117398
Energy: 1.0507741324383286
Energy: 1.183647845426714
Energy: 1.1307707243735479
Energy: 1.5335300854921203
Energy: 1.1831694646497843
Energy: 1.1802989077096866
Energy: 1.225965810618851
Energy: 1.191692031548887
Energy: 1.1836216117239875
Energy: 1.1350712262228846
Energy: 1.0494070883361732
Energy: 1.0493116240811877
Energy: 1.1336359053370604
Energy: 1.053913427162687
Energy: 1.049249411523645
Energy: 1.6769858693852822
Energy: 1.1311936560377065
Energy: 1.1317206447485473
Energy: 1.197694822552375
Energy: 1.0492013645536213
Energy: 1.2062296716562688
Energy: 1.1100255714106118
Energy: 1.2126987194635357
Energy: 1.2127317491909038
Energy: 1.110314535073719
Energy: 1.21580297213293
Energy: 1.2149049949598174
Energy: 1.1105745676062801
Energy: 1.156340282752877
Energy: 1.1471146899574558
Energy: 1.110650734523203
Energy: 1.1560953914075487
Energy: 1.1101734450096674
Energy: 1.4120683871322854
Energy: 1.1668420735844551
Energy: 1.165873843377996
Energy: 1.2610428923975376
Energy: 1.1311718652210931
Energy: 1.1526072286998181
Energy: 1.0486502675431262
Energy: 1.2613333111739296
Energy: 1.2609777613641253
Energy: 1.2280152109538616
Energy: 1.2649013574025634
Energy: 1.2609584485201495
Energy: 1.2486996576814517
Energy: 1.3728453799226672
Energy: 1.0855400260041175
Energy: 1.1700671092804231
Energy: 1.4438596619619484
Energy: 1.0861727275953001
Energy: 1.4083714889962127
Energy: 1.2745830240321598
Energy: 1.268979099007442
Energy: 1.2753577296322258
Energy: 1.2702348491225732
Energy: 1.2052609816007729
Energy: 1.4072525239487432
Energy: 1.154876987923414
Energy: 1.2524956565758811
Energy: 1.4095772200887855
Energy: 1.1571485783339346
Energy: 1.2433127064740161
Energy: 1.5005694141964647
Energy: 1.1864044125468227
Energy: 1.2511355194237133
Energy: 1.411730240899592
Energy: 1.1397966108770514
Energy: 1.2680698378321993
Energy: 1.2854084822038983
Energy: 1.2527185386199227
Energy: 1.2524207545372552
Energy: 1.2313609093759497
Energy: 1.3548998998705084
Energy: 1.2617672504942876

minimum gb energy = 1.0049267799951762 eV
minimum distance =  2.29390372621503 Angstroms
sigma value = 57


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

Energy: 1.7654288406335163
Energy: 1.1887231758049441
Energy: 1.1005884169375266
Energy: 1.103527857400882
Energy: 1.6725285133305225
Energy: 1.0979667282110899
Energy: 1.3484354029181138
Energy: 1.1636763715966247
Energy: 1.1703791358171307
Energy: 1.151710396398233
Energy: 1.1583196755530156
Energy: 1.0714918184828663
Energy: 1.3490973125969823
Energy: 1.0673723751906465
Energy: 1.0717697511494195
Energy: 1.3511711784830873
Energy: 1.0643257420125196
Energy: 1.0747509801071988
Energy: 1.1584825613195024
Energy: 1.06517683156584
Energy: 1.0692402562712966
Energy: 1.1581771386616804
Energy: 1.278265455961023
Energy: 1.0597908397607152
Energy: 1.1855322668274475
Energy: 1.066788883558349
Energy: 1.07216995902041
Energy: 1.1716514327400127
Energy: 1.0890446696099325
Energy: 1.0623773719875889
Energy: 1.605638910835383
Energy: 1.0153171921543471
Energy: 0.9659181788455856
Energy: 1.0290280666287837
Energy: 1.0153140438230195
Energy: 1.065752076721898
Energy: 1.311922812846505
Energy: 1.0204857683675477
Energy: 1.014792896431698
Energy: 1.3135930735996195
Energy: 1.0213282989423844
Energy: 1.0616230495414238
Energy: 1.2454577204518256
Energy: 1.0248427115930472
Energy: 1.0419180564459805
Energy: 1.2459556199431185
Energy: 1.0247905611100974
Energy: 1.0602611460737523
Energy: 0.9448281870364272
Energy: 1.0454039295910382
Energy: 0.9420795560551909
Energy: 0.9467529928077876
Energy: 1.083688591021352
Energy: 0.9423061408128592
Energy: 0.9426451030183352
Energy: 1.0731669101159738
Energy: 1.0448685606428183
Energy: 0.9425178036832732
Energy: 1.1046437924792756
Energy: 1.041361431341528
Energy: 0.915387029220461
Energy: 0.9095746514058431
Energy: 1.035355453091066
Energy: 1.0124090833247306
Energy: 0.9089453087171938
Energy: 1.037848664201975
Energy: 0.9481526404303752
Energy: 0.9087787623566915
Energy: 0.9088146637221789
Energy: 0.949219881843171
Energy: 0.914725809895296
Energy: 1.0197967587781633
Energy: 0.9154538732908515
Energy: 1.0908845359925472
Energy: 1.0520435449122683
Energy: 0.9157850079494626
Energy: 1.0544817676651144
Energy: 1.0516807062914653
Energy: 0.9097270849252067
Energy: 1.020848631575936
Energy: 0.9085983085987352
Energy: 0.912395486704106
Energy: 1.2491705369132164
Energy: 0.9085580203620656
Energy: 0.9101154780168215
Energy: 1.0499489672301274
Energy: 1.0198383900718195
Energy: 0.9101478788275769
Energy: 1.0201763230454113
Energy: 1.0197736223350917
Energy: 1.0983432895420349
Energy: 0.9424060372617802
Energy: 1.0415089632218975
Energy: 1.0438146447328687
Energy: 0.942709020469088
Energy: 1.0398446682703004
Energy: 0.9632177687265596
Energy: 0.9424620341095478
Energy: 0.9423763805692115
Energy: 0.9640517014830664
Energy: 0.9507879768150466
Energy: 1.001921411893356
Energy: 0.9116446378662579
Energy: 1.0079231002557039
Energy: 1.050442668047474
Energy: 0.9131471296571778
Energy: 1.0414080299240926
Energy: 1.0552048366623252
Energy: 1.014883229474585
Energy: 1.0756624768558132
Energy: 1.0145976241596846
Energy: 1.0161786325669258
Energy: 1.3191155784864832
Energy: 1.0147051901461868
Energy: 1.2811916773620955
Energy: 1.0487903596465311
Energy: 1.1058590183208739
Energy: 1.2817784711938414
Energy: 1.0483389170484159
Energy: 1.0755941691551696
Energy: 1.3241061963247656
Energy: 1.2013726245902023
Energy: 1.068989911529772
Energy: 1.0888752967056339
Energy: 1.2070699288155737
Energy: 1.0702546434118665
Energy: 1.0040153907881066
Energy: 1.1518368977838795
Energy: 1.0147264294461318
Energy: 1.0494310249385432
Energy: 1.151400716710295
Energy: 1.066787306315626
Energy: 1.1334078007282606
Energy: 1.1521312874375684
Energy: 1.1643127674518874
Energy: 1.1336564194371725
Energy: 1.2371106848312534
Energy: 1.1622836402267058
Energy: 1.2718942911115332
Energy: 1.0659382090948901
Energy: 1.0717376548771487
Energy: 1.2735942453692803
Energy: 1.1565894773367005
Energy: 1.0715175639199253
Energy: 1.3543284144565113
Energy: 1.0720411053787755
Energy: 1.0145051545687298
Energy: 1.3549159040118308
Energy: 1.0787820795027636
Energy: 1.1516470566471981
Energy: 1.3488713730466122
Energy: 1.1521434266611523
Energy: 1.1602916281312337
Energy: 1.1598362034078566
Energy: 1.1592307555444945
Energy: 1.1518320757489597
Energy: 1.0618909764284103
Energy: 1.2333993571044513
Energy: 1.060953095071395
Energy: 1.0685359234181953
Energy: 1.355782439845485
Energy: 1.0605612540403215

minimum gb energy = 0.9085580203620656 eV
minimum distance =  2.29172070618372 Angstroms
sigma value = 43


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

Energy: 1.6472431079916945
Energy: 1.1630335470988156
Energy: 0.9939377225802204
Energy: 0.873868660026888
Energy: 1.0643843331969414
Energy: 1.0063629152750664
Energy: 1.1628448462581071
Energy: 0.9382912114291952
Energy: 0.9350061896388854
Energy: 1.0164164717734676
Energy: 1.020194672784938
Energy: 0.9138246619322763
Energy: 1.17034006273206
Energy: 0.8969023299150429
Energy: 0.9321456367321234
Energy: 1.1725983436896785
Energy: 0.8957856578402241
Energy: 0.9260605676564235
Energy: 1.019773857771853
Energy: 0.9222893343393689
Energy: 0.8989438771816672
Energy: 1.0198060825741553
Energy: 0.9782429621709616
Energy: 0.9471026806984177
Energy: 1.0279366411718722
Energy: 0.9089230474207276
Energy: 0.9354804521380073
Energy: 1.0276804326810376
Energy: 0.9127746634949966
Energy: 0.9154576532880717
Energy: 0.8206269327380734
Energy: 0.9082696208379747
Energy: 0.8962084025577635
Energy: 0.8737524373779115
Energy: 0.9083202139568389
Energy: 0.8553402811371208
Energy: 1.1361319569394666
Energy: 0.9085921995826927
Energy: 0.9086647990800159
Energy: 1.0133084892569875
Energy: 0.908906157544134
Energy: 1.0822469646375497
Energy: 1.0799768218952759
Energy: 0.8614195017446076
Energy: 0.8822841811514581
Energy: 1.0827506486474312
Energy: 0.8615680221471178
Energy: 0.8817101481266785
Energy: 0.8463276388052539
Energy: 0.8812302424659587
Energy: 0.8437486239330795
Energy: 0.8485076345123669
Energy: 1.0768826003096643
Energy: 0.8440681689884993
Energy: 0.9433445475725531
Energy: 0.903687806910858
Energy: 0.8992865487724435
Energy: 0.8440972239353997
Energy: 0.9002669555974293
Energy: 0.8993291993115464
Energy: 0.7858090291719494
Energy: 0.8023178220087871
Energy: 0.8705396404964817
Energy: 0.8580679365980328
Energy: 0.8025472685647808
Energy: 0.8599015229340092
Energy: 1.069245480160295
Energy: 0.8024484003278622
Energy: 0.8023668012799008
Energy: 1.071538132359616
Energy: 0.8023366685781884
Energy: 0.8821516936459184
Energy: 1.0475221914193948
Energy: 0.8496508259573767
Energy: 0.8778488800156917
Energy: 1.0500150077297448
Energy: 0.8497389416048708
Energy: 0.8557183070693055
Energy: 0.7776690373584799
Energy: 1.0571279025384468
Energy: 0.7776405877388786
Energy: 0.7798421668118485
Energy: 1.0579913290602168
Energy: 0.7775685188237693
Energy: 0.7775554541066395
Energy: 0.8518035219728989
Energy: 0.8623494304239846
Energy: 0.7774695325328984
Energy: 0.8502724165224504
Energy: 0.85804306268169
Energy: 0.7688962910339169
Energy: 0.7661750229850528
Energy: 0.7655898488505556
Energy: 0.8493818260844227
Energy: 0.7662464491822479
Energy: 0.8515844706158232
Energy: 0.9171413083102486
Energy: 0.7660161902452504
Energy: 0.7664311179189629
Energy: 1.0520461040000708
Energy: 0.7661068637797268
Energy: 0.8574722811568006
Energy: 1.0397810491026342
Energy: 0.8770319662815662
Energy: 0.8765749149355248
Energy: 1.0346951028167206
Energy: 0.8958262749385547
Energy: 0.876122056742572
Energy: 0.7660082644360939
Energy: 1.051048388815416
Energy: 0.7659796426831211
Energy: 0.7680778656034396
Energy: 1.0558700771367189
Energy: 0.7660371787711954
Energy: 1.0395856436308537
Energy: 0.9087404794710731
Energy: 0.9079755973135664
Energy: 1.042117203184532
Energy: 0.9090432271269362
Energy: 0.9074352109964977
Energy: 1.0620504432591253
Energy: 0.7776417254173167
Energy: 0.7775417719983069
Energy: 1.0577051165222011
Energy: 0.7775174996316873
Energy: 0.8664562947131279
Energy: 0.7727270415835424
Energy: 0.777774783876024
Energy: 0.7774372739203935
Energy: 0.8567368567230015
Energy: 0.7780675593642672
Energy: 0.8551464941027219
Energy: 0.8021122954197414
Energy: 0.8556910302417609
Energy: 0.8559151870925485
Energy: 0.8021903434787092
Energy: 0.8562796736724305
Energy: 0.8561209978085297
Energy: 0.8023880858383919
Energy: 1.0692770732558832
Energy: 0.8023711697209648
Energy: 0.8047956122431225
Energy: 1.0696903202091907
Energy: 0.8025688475711761
Energy: 1.0596819467488592
Energy: 0.855703784775959
Energy: 0.8712306707681936
Energy: 1.0622144163925695
Energy: 0.8557541814265096
Energy: 0.871185739037702
Energy: 1.0923318157834607
Energy: 0.8439551063192461
Energy: 0.8439047344791644
Energy: 1.0948583704634103
Energy: 0.8440662515246617
Energy: 0.9010717042139773
Energy: 0.8030979518067024
Energy: 0.8436403239657073
Energy: 0.8800033866720819
Energy: 0.8649653508998795
Energy: 0.8434639008051008
Energy: 0.8717318744457122
Energy: 0.988184662494255
Energy: 0.8791961584361603
Energy: 0.9163279089632909
Energy: 0.9884350501230769
Energy: 0.9136099252697739
Energy: 0.9160319201686877
Energy: 0.9112792652779117
Energy: 0.9019077036806236
Energy: 0.9084177325321764
Energy: 0.9132293010488164
Energy: 1.0923997980244895
Energy: 0.9087371743425002
Energy: 1.115308747888252
Energy: 0.8840633573951224
Energy: 0.9017686658237912
Energy: 1.118047884809329
Energy: 0.883269037895301
Energy: 0.9011691813637646
Energy: 1.1380991486465266
Energy: 0.9386056460334441
Energy: 0.9356824388847945
Energy: 0.9352312220416948
Energy: 1.0551057284758893
Energy: 1.1414215532220422
Energy: 0.8477597993570982
Energy: 1.0163134779347593
Energy: 0.9086075823864956
Energy: 0.889527016668441
Energy: 1.0159777376074226
Energy: 0.8820043600061375
Energy: 1.0503321078806525
Energy: 1.0167517206151182
Energy: 1.0160081318833483
Energy: 1.0504202004621364
Energy: 1.076451213310261
Energy: 1.0008708959830357
Energy: 1.1417556473771864
Energy: 0.9334880369656444
Energy: 0.9014888979305077
Energy: 1.10855869596523
Energy: 1.027133660387733
Energy: 1.0163290598457457
Energy: 1.1657843202829574
Energy: 0.9195750766413179
Energy: 0.9439783410932325
Energy: 1.1679653576064422
Energy: 0.9149523850162535
Energy: 0.9439441115577186
Energy: 1.12139409735532
Energy: 1.0165985317079407
Energy: 1.016329582009743
Energy: 1.0162359667665675
Energy: 1.0752939152216257
Energy: 1.000725473349424

minimum gb energy = 0.7655898488505556 eV
minimum distance =  2.28153337986019 Angstroms
sigma value = 81


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

Energy: 0.08149554974222555
Energy: 0.4014847284873235
Energy: 0.08218346515667209
Energy: 0.08437599534853835
Energy: 0.14620838506844888
Energy: 0.08215454291436593
Energy: 0.08261023394523107
Energy: 0.08252717345261759
Energy: 0.1997993676335627
Energy: 0.0827237237095229
Energy: 0.0838981124586372
Energy: 0.19963889778023394
Energy: 0.13762663336441971
Energy: 0.08237451300965858
Energy: 0.08226425742719587
Energy: 0.13751083161011535
Energy: 0.08209138968380614
Energy: 0.13870173987149165
Energy: 0.08276614578471414
Energy: 0.08224654915551304
Energy: 0.08231659563814171
Energy: 0.0852288077219735
Energy: 0.08223450871242155
Energy: 0.13985093040398794
Energy: 0.1388783314427994
Energy: 0.13749602371314204
Energy: 0.1373740948489554
Energy: 0.14052050258171656
Energy: 0.1375939647509438
Energy: 0.08301079554976289
Energy: 0.08335039077850764
Energy: 0.19960783308293317
Energy: 0.08235856306077072
Energy: 0.08176839849701205
Energy: 0.19968506279517279
Energy: 0.08213870664404292
Energy: 0.08254578529298838
Energy: 0.08266070314053557
Energy: 0.20072437237748508
Energy: 0.08220006378937195
Energy: 0.08288846725536438
Energy: 0.200756007589738
Energy: 0.13736563991019113
Energy: 0.08210588973345011
Energy: 0.0822849992779261
Energy: 0.13742703319173752
Energy: 0.08195182012171921
Energy: 0.13924710300883297
Energy: 0.08371632004038586
Energy: 0.08255015877919429
Energy: 0.13864460784897492
Energy: 0.08405181067186861
Energy: 0.08229296468059631
Energy: 0.1380722803879472
Energy: 0.0820027936550085
Energy: 0.13749993120286183
Energy: 0.13743889032925946
Energy: 0.08203433962115353
Energy: 0.13735412958953605
Energy: 0.13727266711060887

minimum gb energy = 0.08149554974222555 eV
minimum distance =  2.46740013621535 Angstroms
sigma value = 3


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

Energy: 1.034292441519418
Energy: 0.9954478617625835
Energy: 1.0605664371553354
Energy: 1.0348419335301346
Energy: 1.010929239237889
Energy: 1.0359548859723484
Energy: 1.0559879923758975
Energy: 1.021747718920488
Energy: 1.0204417763057272
Energy: 1.05620241509222
Energy: 1.0259758097189677
Energy: 1.0199316954206283
Energy: 1.016600083704945
Energy: 0.9885678809716992
Energy: 0.9885206803552512
Energy: 1.0164071956529757
Energy: 0.9888007552467587
Energy: 1.0136345082549554
Energy: 0.9530908472463943
Energy: 0.9885304831081406
Energy: 0.9882390275229965
Energy: 0.9532075453792698
Energy: 0.8611515769700672
Energy: 1.0136845063837927
Energy: 0.8788021747517472
Energy: 1.0142646380480738
Energy: 1.02054603917054
Energy: 0.8787757754923609
Energy: 1.0258552681836344
Energy: 1.0199990775918275
Energy: 1.0003145534653624
Energy: 1.0197519376616255
Energy: 1.0181555087057512
Energy: 0.9722862878545282
Energy: 1.0200237398138625
Energy: 0.9717663587527753
Energy: 0.9893536727683983
Energy: 0.885698711551886
Energy: 0.9649711316573784
Energy: 0.9895257428502177
Energy: 0.8897076361479245
Energy: 0.961995955914623
Energy: 0.9613741272498112
Energy: 0.9781178068924286
Energy: 0.9778142736672671
Energy: 0.9621506279835302
Energy: 0.945246623262749
Energy: 0.9200176135056568
Energy: 0.9827282115763906
Energy: 0.9782629284511399
Energy: 0.9994526288018845
Energy: 1.0038533085620984
Energy: 0.8269386371350702
Energy: 0.9994527435111895
Energy: 0.8309936169585881
Energy: 0.8873248337470117
Energy: 0.887022885825991
Energy: 0.8310825412027588
Energy: 0.8907494523826076
Energy: 0.8862244076361149
Energy: 0.977725622805434
Energy: 0.9853134184220913
Energy: 0.9853833747205151
Energy: 0.9508221466418241
Energy: 0.9561807416509217
Energy: 0.9499223921886969
Energy: 0.8330549893046909
Energy: 0.9883540879588546
Energy: 0.9858662210059661
Energy: 0.8307979829646305
Energy: 0.9707102777018701
Energy: 0.8301686758464017
Energy: 0.8257071005215948
Energy: 0.9321696460802356
Energy: 0.9529760323635409
Energy: 0.8261245686665344
Energy: 0.9319984950955394
Energy: 0.8263033265334059
Energy: 0.944063047656109
Energy: 0.7981198319497177
Energy: 0.9555587954132179
Energy: 0.9598931612235284
Energy: 0.7966801123333705
Energy: 0.9588721911227192
Energy: 0.9677033083806899
Energy: 0.7888356684923599
Energy: 0.78924048589387
Energy: 0.9683509546850745
Energy: 0.788736758619356
Energy: 0.7890975293778362
Energy: 0.9660738800507959
Energy: 0.9354317253359337
Energy: 0.9395025901537838
Energy: 0.933905878076505
Energy: 0.9439084445324102
Energy: 0.9347842403710771
Energy: 0.7832983120807235
Energy: 0.9352358296425982
Energy: 0.9352705231146808
Energy: 0.7797227414837384
Energy: 0.935138281389405
Energy: 0.7778291446679677
Energy: 0.7828130782396975
Energy: 0.9304978024549694
Energy: 0.9292308297428362
Energy: 0.7827914714797183
Energy: 0.9311467956552709
Energy: 0.770530020338176
Energy: 0.9652663831418802
Energy: 0.9357863556583575
Energy: 0.9456548337275743
Energy: 0.9314210775966026
Energy: 0.9559295093460277
Energy: 0.9454425911462209
Energy: 0.9570517960149093
Energy: 0.7740964511836982
Energy: 0.7736935310864597
Energy: 0.9494843935551148
Energy: 0.781536711675632
Energy: 0.7743393832680836
Energy: 0.9400940176238602
Energy: 0.9347215237450328
Energy: 0.9367225842670563
Energy: 0.9419163513900731
Energy: 0.9664330167821289
Energy: 0.935904208194737
Energy: 0.8056353179137071
Energy: 0.9341105084510162
Energy: 0.8620877884681013
Energy: 0.8062632474346733
Energy: 0.9624559477884281
Energy: 0.7888825703509585
Energy: 0.7969286867809782
Energy: 0.9595693163400624
Energy: 0.960511801082016
Energy: 0.7969085629338726
Energy: 0.9565085570372795
Energy: 0.957473311190209
Energy: 0.9772659393983765
Energy: 0.8269267212038418
Energy: 0.8263239027445746
Energy: 0.9399718303271551
Energy: 0.8266713315190494
Energy: 0.9379847257728591
Energy: 0.8778617048197035
Energy: 0.8305783912587522
Energy: 0.8304294431584699
Energy: 0.8782719440521984
Energy: 0.8335461142283501
Energy: 0.8305029682035076
Energy: 0.9554022767760886
Energy: 0.9635959365388811
Energy: 0.9632402866909109
Energy: 0.9554143067467243
Energy: 0.9353284533839931
Energy: 0.9848101299768939
Energy: 0.8897444906378161
Energy: 0.9631699657727969
Energy: 0.9632814131689479
Energy: 0.8893800713845876
Energy: 0.8877587486404159
Energy: 0.888906347215102
Energy: 0.8502451029496406
Energy: 1.0019507739216795
Energy: 0.999424759117294
Energy: 0.8502473000381291
Energy: 1.0076969084563336
Energy: 0.9987797267037274
Energy: 0.9606945361982655
Energy: 0.9539018290541048
Energy: 0.9599945650265199
Energy: 0.9596123068502075
Energy: 0.9509755188182069
Energy: 0.9593090055751368
Energy: 0.8875224656774553
Energy: 0.9585674073644878
Energy: 0.9579993339521714
Energy: 0.8849332152247357
Energy: 0.9640415566666117
Energy: 1.0355754018921037
Energy: 0.9608421886496056
Energy: 0.9904641933529096
Energy: 0.9901706826404466
Energy: 0.9610981045190815
Energy: 0.9513187171639815
Energy: 0.9900558085727007
Energy: 1.0538361744520484
Energy: 0.9904539500333245
Energy: 0.9960638090610711
Energy: 1.0227206395990749
Energy: 0.8450475686945476
Energy: 1.0192466678763314
Energy: 0.9047139846823562
Energy: 0.9504749954908839
Energy: 0.9501852378620849
Energy: 0.9049946196778689
Energy: 0.9519712637791312
Energy: 0.9759863969175542

minimum gb energy = 0.770530020338176 eV
minimum distance =  2.29530510934935 Angstroms
sigma value = 67


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

Energy: 1.2790110097134524
Energy: 1.2524654671540576
Energy: 1.2775465616687787
Energy: 1.2027284141616168
Energy: 1.2543883292075713
Energy: 1.28770938251351
Energy: 1.245008250210269
Energy: 1.1997530329739734
Energy: 1.198514366519568
Energy: 1.2451522060769595
Energy: 1.203275456151166
Energy: 1.2261886071782238
Energy: 1.2808553660755713
Energy: 1.1700939115719478
Energy: 1.1936996077497384
Energy: 1.1985692685068605
Energy: 1.1711516546069032
Energy: 1.1941879639430881
Energy: 1.1560013242305776
Energy: 1.1928446269495794
Energy: 1.1926571732696785
Energy: 1.1569499541371406
Energy: 1.1002752652318335
Energy: 1.193207620403641
Energy: 1.1097258360207412
Energy: 1.1991704310075566
Energy: 1.226591166732677
Energy: 1.1096647264819945
Energy: 1.202973881335546
Energy: 1.224876210922447
Energy: 1.237058566393864
Energy: 1.198575707751656
Energy: 1.1740921114500547
Energy: 1.1723721612122189
Energy: 1.1986418768257843
Energy: 1.1726205184528784
Energy: 1.1111319183854784
Energy: 1.144410933594736
Energy: 1.1116694769553717
Energy: 1.1111940034987513
Energy: 1.1165054782722426
Energy: 1.1369985689940638
Energy: 1.1596733265548884
Energy: 1.164339892468762
Energy: 1.1694322683794685
Energy: 1.1604792822694283
Energy: 1.1640217371800512
Energy: 1.1093641842580386
Energy: 1.1538319221142788
Energy: 1.1973102383685015
Energy: 1.1960376996115063
Energy: 1.1992179457232028
Energy: 1.0148486153792167
Energy: 1.2040047533799139
Energy: 0.9705052868661713
Energy: 1.0235291092235523
Energy: 1.02245648294194
Energy: 0.9708148001660822
Energy: 1.0234503019931847
Energy: 1.0156873367428672
Energy: 1.0828490390382381
Energy: 1.1583440949047554
Energy: 1.1800971993352123
Energy: 1.1666664126696562
Energy: 1.1463397434029512
Energy: 1.1706288329433945
Energy: 0.9716161364856291
Energy: 1.157899610065407
Energy: 1.155156428842296
Energy: 0.9711287191830521
Energy: 1.1575472721085283
Energy: 0.9709814733999255
Energy: 0.9780284395151507
Energy: 1.1525584163948497
Energy: 1.1504229209626857
Energy: 0.9769074760352757
Energy: 1.1501363873737047
Energy: 0.9755979841321911
Energy: 1.1528515070903447
Energy: 1.0886370606955829
Energy: 1.1503825102481817
Energy: 1.1489419135046512
Energy: 1.1708407771535456
Energy: 1.149727520644967
Energy: 1.1556168381479692
Energy: 0.9830187956890049
Energy: 0.9773771855932328
Energy: 1.1569282770840186
Energy: 0.9795232105091813
Energy: 0.9731600736502923
Energy: 1.1371833864080605
Energy: 1.1553849514190375
Energy: 1.161840765008899
Energy: 1.1623890959817909
Energy: 1.0807641304465931
Energy: 1.1581743966636484
Energy: 1.0374488776366664
Energy: 1.158142334851519
Energy: 1.153841317285096
Energy: 1.038724672207578
Energy: 1.1507650724631169
Energy: 1.0213651400410935
Energy: 1.0159628887859038
Energy: 1.1960312946036085
Energy: 1.1983436825491762
Energy: 1.0160031823408804
Energy: 1.169028732583013
Energy: 1.1227321562231265
Energy: 1.1950117178302007
Energy: 1.1573354237208848
Energy: 1.164942431037444
Energy: 1.1773592074635906
Energy: 1.1558917325668632
Energy: 1.1738199683466917
Energy: 1.0146654698053736
Energy: 1.1189282282622703
Energy: 1.1383244792591265
Energy: 1.115006514527421
Energy: 1.1140743861982325
Energy: 1.137382032077595
Energy: 1.118257603879724
Energy: 1.2229166665588738
Energy: 1.22199752308615
Energy: 1.118320577087486
Energy: 0.9816720556516529
Energy: 1.1672847104783497
Energy: 1.2809401447156357
Energy: 1.1669752243700648
Energy: 1.1686049114548804
Energy: 1.197901729218279
Energy: 1.1699854191159844
Energy: 1.1713396546100026
Energy: 1.1657410476539458
Energy: 1.1165738019222642
Energy: 1.1988732218861278
Energy: 1.1657314327840995
Energy: 1.1152219223480562
Energy: 1.2257486748163358

minimum gb energy = 0.9705052868661713 eV
minimum distance =  2.28923712010399 Angstroms
sigma value = 33


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

Energy: 1.8690307260403638
Energy: 1.4231874329307108
Energy: 1.3997200340705356
Energy: 1.3943601137944865
Energy: 1.4938075372480153
Energy: 1.3973390540239619
Energy: 1.3143298647874317
Energy: 1.3093669091342415
Energy: 1.3092273713951625
Energy: 1.3751371350919386
Energy: 1.3141440882800342
Energy: 1.3439510908084538
Energy: 1.3928185316770534
Energy: 1.3394552178236292
Energy: 1.3392609138784901
Energy: 1.3932912846249368
Energy: 1.3405381842100121
Energy: 1.339371981755786
Energy: 1.2117103616818699
Energy: 1.3404099795385533
Energy: 1.3405358108705259
Energy: 1.2116757743110265
Energy: 1.1936917990163871
Energy: 1.3389698325550037
Energy: 1.1967780206720522
Energy: 1.309336165872478
Energy: 1.346962509868833
Energy: 1.1967733859196752
Energy: 1.3126804407535024
Energy: 1.3439547175679443
Energy: 1.210356837164234
Energy: 1.3719787016388012
Energy: 1.34415666014783
Energy: 1.3252045852370251
Energy: 1.372678083167584
Energy: 1.3238062733024925
Energy: 1.1972781539885398
Energy: 1.348824541321823
Energy: 1.3475344808195515
Energy: 1.197097339481315
Energy: 1.3466145705858419
Energy: 1.2318901407945912
Energy: 1.211229589082143
Energy: 1.3102487404997316
Energy: 1.3100240161930068
Energy: 1.211375617902442
Energy: 1.311180011536548
Energy: 1.244272644440373
Energy: 1.2773705246598102
Energy: 1.3113009883122986
Energy: 1.312918266186504
Energy: 1.304501068818018
Energy: 1.0994452358676448
Energy: 1.307828299680972
Energy: 1.2854565031331886
Energy: 1.0995546698572622
Energy: 1.0994306159064182
Energy: 1.2868663581243218
Energy: 1.1010368211327242
Energy: 1.0990278738623536
Energy: 1.1977000156546318
Energy: 1.2144179861333866
Energy: 1.2818210184203525
Energy: 1.2809554374890442
Energy: 1.1911672359495393
Energy: 1.2835739004754179
Energy: 1.0986646959130006
Energy: 1.2846387487079072
Energy: 1.284574263587248
Energy: 1.097656851725868
Energy: 1.2707240162104225
Energy: 1.0983340376955308
Energy: 1.0973747290887919
Energy: 1.3042321837603534
Energy: 1.3056497402954923
Energy: 1.097347199739717
Energy: 1.2806812131221035
Energy: 1.0978080439849764
Energy: 1.0763461835588721
Energy: 1.3201901332857628
Energy: 1.3029804994622542
Energy: 1.2879223034380398
Energy: 1.3374393574981716
Energy: 1.291451242371967
Energy: 1.1808394273718112
Energy: 1.196954128021648
Energy: 1.2357076403271394
Energy: 1.1808948245561635
Energy: 1.1998215416455031
Energy: 1.232643022384302
Energy: 1.2047207924262586
Energy: 1.3318467497719386
Energy: 1.3316229632997227
Energy: 1.232059790278914
Energy: 1.1244939809493233
Energy: 1.2347789150538029
Energy: 1.3928910867259992
Energy: 1.3308438216220635
Energy: 1.3308766035453539
Energy: 1.3261804381766487
Energy: 1.3526534866306705
Energy: 1.3303938944427678
Energy: 1.375300157267457
Energy: 1.3094924903420964
Energy: 1.3090812712385427
Energy: 1.3752250880995616
Energy: 1.3111543223986248
Energy: 1.3261992612183793
Energy: 1.3436238752945542
Energy: 1.3277636768211356
Energy: 1.3484743345922048
Energy: 1.3548172289942775
Energy: 1.3274675908299491
Energy: 1.315762011813466
Energy: 1.2641275983630607
Energy: 1.3092142720501616
Energy: 1.3091755786961878
Energy: 1.2642408312369278
Energy: 1.313637807291584
Energy: 1.3094594125154804
Energy: 1.3929048943146038
Energy: 1.3407576599459416
Energy: 1.3403558402962619
Energy: 1.3942035637307761
Energy: 1.3210421083243569
Energy: 1.3408353982965453
Energy: 1.329057560808431
Energy: 1.3394089616155642
Energy: 1.339562037443628
Energy: 1.3276824810598749
Energy: 1.3405248811738113
Energy: 1.339794950878028
Energy: 1.197067777728073
Energy: 1.309547129030627
Energy: 1.3472722605327676
Energy: 1.1971633974570095
Energy: 1.3140483439362158
Energy: 1.3441672744709727
Energy: 1.0992034279241008
Energy: 1.3726630631639196
Energy: 1.344970318286244
Energy: 1.3250322653708537
Energy: 1.3714320526549966
Energy: 1.2973148645321058
Energy: 1.19717076797691
Energy: 1.3490266239748834
Energy: 1.3473254135367319
Energy: 1.1972097656915526
Energy: 1.346439992908651
Energy: 1.3479087592778662
Energy: 1.2118120030322321
Energy: 1.3104619391236256
Energy: 1.3107448990316803
Energy: 1.213571649888482
Energy: 1.310780847440459
Energy: 1.2332145119007527
Energy: 1.2828900903709832
Energy: 1.3102250403668791
Energy: 1.3102906605975069
Energy: 1.285430217928491
Energy: 1.0992912962428545
Energy: 1.320901662160171
Energy: 1.282665561251225
Energy: 1.0995278504452053
Energy: 1.0994315642978667
Energy: 1.2846461600556525
Energy: 1.1019549639832336
Energy: 1.0986417969314763
Energy: 1.196154152757075
Energy: 1.1908765968845965
Energy: 1.2831234644572596
Energy: 1.2834352004537835
Energy: 1.191366898204703
Energy: 1.284085007196448
Energy: 1.0972389916808132
Energy: 1.2821689195012098
Energy: 1.2822713672614345
Energy: 1.097228795359592
Energy: 1.2722353092047318
Energy: 1.0983853273908541
Energy: 1.0995139508730527
Energy: 1.3033233486565563
Energy: 1.2150970268927759
Energy: 1.0980105873126242
Energy: 1.2810146305611718
Energy: 1.0982724336715353
Energy: 1.0697226171696281
Energy: 1.310222477804745
Energy: 1.3219495384136668
Energy: 1.2838138271196375
Energy: 1.3382011127115405
Energy: 1.2901967921262378
Energy: 1.0706839811689195
Energy: 1.1981848285915784
Energy: 1.2323756840105828
Energy: 1.070689237437823
Energy: 1.2136987836981246
Energy: 1.2328531702075818
Energy: 1.2110639032997628
Energy: 1.2473453382441586
Energy: 1.2318423439127342
Energy: 1.2324933237697093
Energy: 1.124354444358916
Energy: 1.2355878295546814
Energy: 1.3854327264119266
Energy: 1.353191540714127
Energy: 1.3522124259837445
Energy: 1.3879270057667388
Energy: 1.2865141234004602
Energy: 1.3172952196884207
Energy: 1.3753896164287636
Energy: 1.3092182670697794
Energy: 1.3120984700764728
Energy: 1.3755430952993175
Energy: 1.3101257815417962
Energy: 1.343922940640011
Energy: 1.3431004394960238
Energy: 1.326758465001416
Energy: 1.3457670206668633
Energy: 1.3541971082070385
Energy: 1.327698822474742
Energy: 1.3157911723987687

minimum gb energy = 1.0697226171696281 eV
minimum distance =  2.29202737164649 Angstroms
sigma value = 41


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

Energy: 1.7365445370671995
Energy: 1.46724781204919
Energy: 1.5604820460073805
Energy: 1.7389422442531306
Energy: 1.9959955971786274
Energy: 1.5601459718144866
Energy: 1.48148732379792
Energy: 1.421758363094796
Energy: 1.4207115996701607
Energy: 1.4847703764558844
Energy: 1.534768920111005
Energy: 1.4207753995833274
Energy: 1.530928917100396
Energy: 1.4709907671364808
Energy: 1.4709037985717168
Energy: 1.4232683448677308
Energy: 1.471058255085164
Energy: 1.4169926728528204
Energy: 1.4282063913766714
Energy: 1.470425653301209
Energy: 1.4705483624425673
Energy: 1.4287463109815757
Energy: 1.2765749525542718
Energy: 1.42134166151443
Energy: 1.2788389953265882
Energy: 1.4226643943999309
Energy: 1.4213303196191134
Energy: 1.2788139943219419
Energy: 1.4240307688015494
Energy: 1.477051376261995
Energy: 1.4649500242612383
Energy: 1.478360964175916
Energy: 1.4763142064218588
Energy: 1.4657461473067213
Energy: 1.4870183571287143
Energy: 1.476954702569875
Energy: 1.2777806243438499
Energy: 1.478352188032962
Energy: 1.474764598738366
Energy: 1.2778147589360598
Energy: 1.477111819793625
Energy: 1.2798945439171334
Energy: 1.2815259753211488
Energy: 1.4530776636426532
Energy: 1.3386420395118757
Energy: 1.282553532789265
Energy: 1.4505604114423223
Energy: 1.2790847652456583
Energy: 1.4446627147674431
Energy: 1.4587104611503476
Energy: 1.452319249927667
Energy: 1.4520384962049546
Energy: 1.3372738115282268
Energy: 1.4509945175750256
Energy: 1.3612387407322843
Energy: 1.2798615179117967
Energy: 1.2791540532982992
Energy: 1.3546190994877274
Energy: 1.2810485101275904
Energy: 1.337695640401419
Energy: 1.46871189699925
Energy: 1.2792915924701576
Energy: 1.4762840824589227
Energy: 1.474642474761427
Energy: 1.214516692321677
Energy: 1.4775010004645195
Energy: 1.4588903096361217
Energy: 1.4471642013141497
Energy: 1.4470147779577875
Energy: 1.4594968025502906
Energy: 1.4468889726806367
Energy: 1.3986399286417472
Energy: 1.4861325736720203
Energy: 1.4197453182036768
Energy: 1.42095888690872
Energy: 1.4813162736054304
Energy: 1.4208104543931575
Energy: 1.4226904337924926
Energy: 1.477244697488569
Energy: 1.4218289251294698
Energy: 1.484507475684232
Energy: 1.477280309344389
Energy: 1.4222391524056421
Energy: 1.4818882214953828

minimum gb energy = 1.214516692321677 eV
minimum distance =  2.31996926211627 Angstroms
sigma value = 11


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

Energy: 2.143224018325879
Energy: 1.6366372381618712
Energy: 1.7327092305368368
Energy: 1.635585011157416
Energy: 1.6489406775119648
Energy: 1.7859279886716248
Energy: 1.7114816976597031
Energy: 1.4074094258151328
Energy: 1.4074589665204265
Energy: 1.7118010766746792
Energy: 1.4414183517596608
Energy: 1.408346520088675
Energy: 1.7029588305262975
Energy: 1.552272858811421
Energy: 1.501111562387781
Energy: 1.7028897546909516
Energy: 1.5175556250017654
Energy: 1.504734539649003
Energy: 1.5481210245129762
Energy: 1.5572694844278427
Energy: 1.5656596672182208
Energy: 1.549027794983524
Energy: 1.3789456057875247
Energy: 1.5664190539856633
Energy: 1.5031545683048901
Energy: 1.4067587404821487
Energy: 1.4065472557186804
Energy: 1.5034564414433849
Energy: 1.406743816719332
Energy: 1.407127488870523
Energy: 1.6775235706635356
Energy: 1.4391931190026703
Energy: 1.5262751462504534
Energy: 1.5069539144661463
Energy: 1.4392978718183715
Energy: 1.5709543075413817
Energy: 1.4392538811747952
Energy: 1.5498654592542682
Energy: 1.5235968074872321
Energy: 1.4393182576529258
Energy: 1.529416748037975
Energy: 1.5227461094043013
Energy: 1.4413961176735688
Energy: 1.5279895362683604
Energy: 1.408602785431986
Energy: 1.441606661158342
Energy: 1.5041995728017683
Energy: 1.4063106734710376
Energy: 1.4161728868137373
Energy: 1.5052423766175658
Energy: 1.5043838994041705
Energy: 1.3969666729781582
Energy: 1.6309501870187648
Energy: 1.5464145687031303
Energy: 1.4157847597457158
Energy: 1.505187913084336
Energy: 1.504749715659931
Energy: 1.4161684668023666
Energy: 1.5044160672656282
Energy: 1.5363702284416887
Energy: 1.4415691002089368
Energy: 1.5259040480399944
Energy: 1.4586047835112634
Energy: 1.4413995673269315
Energy: 1.4421731968209408
Energy: 1.4081725843609236
Energy: 1.4205538675799811
Energy: 1.5219838502110319
Energy: 1.5023765056878444
Energy: 1.4217021657064755
Energy: 1.517196003208695
Energy: 1.5027971329315457
Energy: 1.4062317440056809
Energy: 1.5036107391048448
Energy: 1.504307560232292
Energy: 1.4063255422457885
Energy: 1.6653608249603506
Energy: 1.4587874937613436
Energy: 1.4682470968741068
Energy: 1.5045821575093437
Energy: 1.5046642742100578
Energy: 1.5115543796769544
Energy: 1.7635483863481047
Energy: 1.5044460287245518
Energy: 1.3827190256879784
Energy: 1.52499225954377
Energy: 1.5251983141162853
Energy: 1.3827577482798004
Energy: 1.5055697516470639
Energy: 1.5475107917730035
Energy: 1.3836761220127973
Energy: 1.5301995736427243
Energy: 1.38155016861316
Energy: 1.3850307154915338
Energy: 1.5477243673158225
Energy: 1.3812480464745134
Energy: 1.3811796252834727
Energy: 1.5597158633049846
Energy: 1.5624670849733686
Energy: 1.3811937197301745
Energy: 1.5455948115480533
Energy: 1.5719261185878226
Energy: 1.7428015903279683
Energy: 1.5663520624718301
Energy: 1.5377512970530416
Energy: 1.6035702408376162
Energy: 1.567522124345162
Energy: 1.4829032144312675
Energy: 1.4437708726657499
Energy: 1.4449937908509976
Energy: 1.444595125867298
Energy: 1.4438643562395155
Energy: 1.567264054536257
Energy: 1.4925335259446522
Energy: 1.52478771336108
Energy: 1.5879415473946692
Energy: 1.5334789533528956
Energy: 1.526437644050882
Energy: 1.5578027240893653
Energy: 1.469910255199236
Energy: 1.5695810727762147
Energy: 1.5956456394620213
Energy: 1.4652756930229136
Energy: 1.5715663840996392
Energy: 1.3812193872633725
Energy: 1.5059919978539087
Energy: 1.4396611182985473
Energy: 1.4453319541546892
Energy: 1.4450575959650505
Energy: 1.405018691878031
Energy: 1.4890059109087137
Energy: 1.445855150736193
Energy: 1.4966975729434149
Energy: 1.5348379191728407
Energy: 1.5000637670954728
Energy: 1.5494916442477236
Energy: 1.5270279152884307
Energy: 1.5003533275715126
Energy: 1.5667803711120833
Energy: 1.444746385962198
Energy: 1.5203027424533206
Energy: 1.5666632525172983
Energy: 1.4442449328688853
Energy: 1.4627057159593655
Energy: 1.5673471652335467
Energy: 1.5492633454314935
Energy: 1.528024186502567
Energy: 1.5689570771643508
Energy: 1.6543540074529695
Energy: 1.5284952498175088
Energy: 1.5733541140469334
Energy: 1.3805921346672225
Energy: 1.5617508458323488
Energy: 1.5425936352517207
Energy: 1.3815391472404526
Energy: 1.5800975692290888
Energy: 1.5503159402055748
Energy: 1.3819588262448381
Energy: 1.3812240068240136
Energy: 1.5496136384207135
Energy: 1.3823841820278906
Energy: 1.3812486705008367
Energy: 1.5475361421496923
Energy: 1.3816742798425703
Energy: 1.5488675960645792
Energy: 1.5246564741100737
Energy: 1.383338250179789
Energy: 1.5478199448908696
Energy: 1.7703728466066335
Energy: 1.5130673979533864
Energy: 1.4927559291930703
Energy: 1.7114700086774322
Energy: 1.5138295225614458
Energy: 1.4931378135626403
Energy: 1.7113282877077418
Energy: 1.4061452016628613
Energy: 1.4592079741255308
Energy: 1.7129546293358278
Energy: 1.4060312470569272
Energy: 1.5448928208651513
Energy: 2.1471052275565836
Energy: 1.4312352730210385
Energy: 1.4700813655191873
Energy: 1.5632953955607929
Energy: 1.4225896638612756
Energy: 1.4705555287723093

minimum gb energy = 1.3789456057875247 eV
minimum distance =  2.30905183250535 Angstroms
sigma value = 57


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

Energy: 1.9357813364891907
Energy: 1.5125875226078775
Energy: 1.695217358882672
Energy: 1.9392800239210775
Energy: 2.1308625028556847
Energy: 1.6989825788809998
Energy: 1.5473474785866266
Energy: 1.4153518739452384
Energy: 1.385625889854552
Energy: 1.5476949432489495
Energy: 1.5516494254508764
Energy: 1.4036460413327123
Energy: 1.512858666688625
Energy: 1.3995128857413552
Energy: 1.3772896001521127
Energy: 1.512661685611014
Energy: 1.4085349625329595
Energy: 1.3847073749191032
Energy: 1.5118164238037788
Energy: 1.4038977388475165
Energy: 1.3800824719559674
Energy: 1.5137460267685336
Energy: 1.4065478348434115
Energy: 1.3811598788492314
Energy: 1.412795579540873
Energy: 1.38106486867217
Energy: 1.381724764986052
Energy: 1.4129917094202695
Energy: 1.3796600655057798
Energy: 1.379397646184776
Energy: 1.4612703820098412
Energy: 1.4016850080808185
Energy: 1.4012849842269866
Energy: 1.4156018406307145
Energy: 1.512182208473327
Energy: 1.4143931532699263
Energy: 1.5130802646613872
Energy: 1.4463857006613827
Energy: 1.4469755039529693
Energy: 1.515013368595699
Energy: 1.4501875948771505
Energy: 1.4009605880262912
Energy: 1.5475675330905583
Energy: 1.4047407062246442
Energy: 1.383394843306758
Energy: 1.5495393848238443
Energy: 1.4138000252630114
Energy: 1.3818282935885042
Energy: 1.346101093419797
Energy: 1.3792146274101307
Energy: 1.3479272148550208
Energy: 1.3520991660286341
Energy: 1.5136648692157415
Energy: 1.347116640759855
Energy: 1.346146519836069
Energy: 1.3791528702882059
Energy: 1.3477715296712154
Energy: 1.4277119404048655
Energy: 1.5191023684735836
Energy: 1.346869221255064
Energy: 1.5476162545478913
Energy: 1.403773414138739
Energy: 1.4045437608950626
Energy: 1.5495534404576563
Energy: 1.413645431230141
Energy: 1.38242552610657
Energy: 1.506662462467062
Energy: 1.5767496323672683
Energy: 1.5779801180937372
Energy: 1.5077788861165662
Energy: 1.6930320985546143
Energy: 1.379505610770936
Energy: 1.412806666064357
Energy: 1.4149153738994267
Energy: 1.4150215498839538
Energy: 1.4147321643650486
Energy: 1.416351847324037
Energy: 1.532582002784097
Energy: 1.699098801886675
Energy: 1.3810606177706444
Energy: 1.3793954885558068
Energy: 1.4154928074271136
Energy: 1.5163625831748517
Energy: 1.3796593842629459
Energy: 1.5120521979670516
Energy: 1.4472359290216137
Energy: 1.3830557272285782
Energy: 1.5121963047876437
Energy: 1.4481671323019465
Energy: 1.3811747960586591
Energy: 1.5218399503570854
Energy: 1.4471689962343528
Energy: 1.427372160314512
Energy: 1.5220914187670593
Energy: 1.447483732346759
Energy: 1.3849817684592203
Energy: 1.34559586901551
Energy: 1.4137917371989497
Energy: 1.4146713008230765
Energy: 1.3457112066052914
Energy: 1.415854243263444
Energy: 1.4143662936400274

minimum gb energy = 1.34559586901551 eV
minimum distance =  2.31503234249669 Angstroms
sigma value = 9


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

Energy: 2.26108822216404
Energy: 1.7961087245564777
Energy: 1.6224969600432977
Energy: 1.4945912949164135
Energy: 1.5464053020355573
Energy: 1.531052972640432
Energy: 1.6795939748666164
Energy: 1.5203955222212084
Energy: 1.4882298847035376
Energy: 1.5768559125079316
Energy: 1.5370346243455884
Energy: 1.4997137926772235
Energy: 1.5428210461040632
Energy: 1.6317485546643384
Energy: 1.5015132433085046
Energy: 1.5442440096502992
Energy: 1.5253766413586005
Energy: 1.6055512074321352
Energy: 1.48472027975678
Energy: 1.5078339007299733
Energy: 1.4863137400994815
Energy: 1.4844636474859612
Energy: 1.4993734903747649
Energy: 1.5059967431512133
Energy: 1.5394190164560884
Energy: 1.4585558267821468
Energy: 1.4984437771534456
Energy: 1.5394168952334792
Energy: 1.5198132842141767
Energy: 1.5103907007602564
Energy: 1.4786944054017623
Energy: 1.4718396592947014
Energy: 1.4672728405364595
Energy: 1.4805958175928575
Energy: 1.5169895588847984
Energy: 1.4666766655757006
Energy: 1.4934613480176577
Energy: 1.5769413985250995
Energy: 1.5308439746264138
Energy: 1.4942954753322086
Energy: 1.5046887447902537
Energy: 1.5263430041692
Energy: 1.571766362411419
Energy: 1.4630594885778896
Energy: 1.4723428595995578
Energy: 1.5732245631581008
Energy: 1.4650587665242443
Energy: 1.4741843895121904
Energy: 1.6803041793381714
Energy: 1.5440246977315397
Energy: 1.5146538002795054
Energy: 1.5282764152060389
Energy: 1.5600984705288223
Energy: 1.51097103161447
Energy: 1.5940527222536534
Energy: 1.5130522075682762
Energy: 1.5146990517625039
Energy: 1.5522741663877668
Energy: 1.4948173401815397
Energy: 1.4984622776978158
Energy: 1.5721592693684037
Energy: 1.4676999096203622
Energy: 1.4677647545448496
Energy: 1.5739820884360434
Energy: 1.4667613440080525
Energy: 1.4779904058607727
Energy: 1.5350982633236216
Energy: 1.4883680499860474
Energy: 1.5025162441585311
Energy: 1.5366174857239876
Energy: 1.5159851672716382
Energy: 1.5099655953007671
Energy: 1.7530297522773017
Energy: 1.5648455873946594
Energy: 1.6041762375916342
Energy: 1.4816561247055255
Energy: 1.5686343951330457
Energy: 1.6839503872875334
Energy: 1.6035458046985676
Energy: 1.5066188897771216
Energy: 1.5068709025047027
Energy: 1.6039494368904577
Energy: 1.5546372889471203
Energy: 1.4856423748782794
Energy: 1.5343892634251786
Energy: 1.4637904733401608
Energy: 1.4638524875921568
Energy: 1.534940122004287
Energy: 1.5259110042623565
Energy: 1.51853845084407
Energy: 1.5150080144925928
Energy: 1.4921112813840118
Energy: 1.5108071187135832
Energy: 1.514509836844448
Energy: 1.5626539966873538
Energy: 1.5139592397011545
Energy: 1.5049584290740083
Energy: 1.5018896595114835
Energy: 1.4860311057498299
Energy: 1.505571164120875
Energy: 1.5343463937141224
Energy: 1.4860753398763042
Energy: 1.649551145958168
Energy: 1.5972440215567016
Energy: 1.6128413763667189
Energy: 1.6514442259980824
Energy: 1.589121457840726
Energy: 1.614537527156798
Energy: 1.509077740376017
Energy: 1.488010013765436
Energy: 1.5011853268546829
Energy: 1.5091324475240493
Energy: 1.5696879477952441
Energy: 1.498159680364782
Energy: 1.5052148681777275
Energy: 1.4879060595908773
Energy: 1.4870131906900153
Energy: 1.505328436531582
Energy: 1.5245506291882236
Energy: 1.5031534170685683
Energy: 1.52787629902824
Energy: 1.5223660392855731
Energy: 1.5187724117713146
Energy: 1.4690787604483102
Energy: 1.5194397551364545
Energy: 1.5060110287673703

minimum gb energy = 1.4585558267821468 eV
minimum distance =  2.28145731380732 Angstroms
sigma value = 27


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

Energy: 1.5920243700152794
Energy: 2.1648338135307945
Energy: 1.5812740055814738
Energy: 1.58340045927819
Energy: 2.158474529500623
Energy: 1.584054725829694
Energy: 1.6710581952023726
Energy: 1.6164919076719115
Energy: 1.4870548025983135
Energy: 1.6650639910685467
Energy: 1.618261761349358
Energy: 1.4887228608314942
Energy: 1.528487654815313
Energy: 1.4860830412293373
Energy: 1.4752175045132896
Energy: 1.528163033006059
Energy: 1.4457888082038437
Energy: 1.4740588576884186
Energy: 1.5224133299740195
Energy: 1.4909122007716935
Energy: 1.4854328390396825
Energy: 1.524000380535963
Energy: 1.5891425184198904
Energy: 1.4942238609497145
Energy: 1.4960177552232634
Energy: 1.5342353852029362
Energy: 1.4908807719873431
Energy: 1.4976114358137367
Energy: 1.524288316054599
Energy: 1.4850982106006643
Energy: 1.511853474043655
Energy: 1.4875660247767197
Energy: 1.484295550582259
Energy: 1.5136728389644127
Energy: 1.5170224747468464
Energy: 1.4840107382578303
Energy: 1.5274466134401252
Energy: 1.405499526265919
Energy: 1.4231207566281143
Energy: 1.5283654624240237
Energy: 1.3817906666173196
Energy: 1.4201094306356261
Energy: 1.5258286385090274
Energy: 1.4800525328808727
Energy: 1.530864266428883
Energy: 1.5260703175373969
Energy: 1.4528240310947145
Energy: 1.5318279168237199
Energy: 1.6858194484067632
Energy: 1.484807118573269
Energy: 1.4792588650555183
Energy: 1.4943226509188334
Energy: 1.510333482116923
Energy: 1.4955521968519045
Energy: 1.6798189094679208
Energy: 1.5121329823388707
Energy: 1.5183791316855513
Energy: 1.4963769790624655
Energy: 1.5161498503385498
Energy: 1.5166793640527882
Energy: 1.5259793011866927
Energy: 1.531659580453865
Energy: 1.53268747217394
Energy: 1.5254411441100824
Energy: 1.5074952120659881
Energy: 1.5324792790092765
Energy: 1.5403287157990482
Energy: 1.5052941360776178
Energy: 1.5099051629533597
Energy: 1.5418249212047854
Energy: 1.5350691956424227
Energy: 1.5088956808594047
Energy: 1.377821820248822
Energy: 1.560497069663433
Energy: 1.4174870406558955
Energy: 1.3788550470146312
Energy: 1.5636426594624988
Energy: 1.417093418525673
Energy: 1.4761230047022418
Energy: 1.5843853492220874
Energy: 1.5861410855724425
Energy: 1.4071672510804876
Energy: 1.5583911091987368
Energy: 1.4727980460727332
Energy: 1.5004893303604474
Energy: 1.535704159715724
Energy: 1.5326186697207052
Energy: 1.502512883181009
Energy: 1.5396848938124175
Energy: 1.5135272173361485
Energy: 1.5527038610125603
Energy: 1.5026763775067704
Energy: 1.5099748792169803
Energy: 1.5537842236144608
Energy: 1.5148555486438275
Energy: 1.5096623659405564
Energy: 1.4734204362083176
Energy: 1.5484160351394236
Energy: 1.548267393790063
Energy: 1.4717167774453026
Energy: 1.5411193398005232
Energy: 1.539345842238038
Energy: 1.530452339806402
Energy: 1.4906442052207673
Energy: 1.490072025574072
Energy: 1.4797261025628874
Energy: 1.5139640851985445
Energy: 1.4913432678113656
Energy: 1.5260153135149552
Energy: 1.4174085808321246
Energy: 1.417934618046799
Energy: 1.5275121835421452
Energy: 1.3792795455874691
Energy: 1.4176609761095438
Energy: 1.5349619890972594
Energy: 1.4171346369670905
Energy: 1.417764964029905
Energy: 1.5352152005395407
Energy: 1.3791820822046343
Energy: 1.4172628000313516
Energy: 1.6497792863014762
Energy: 1.4904796822223185
Energy: 1.4921554773801693
Energy: 1.5356654260467932
Energy: 1.5142465198221369
Energy: 1.4861216494938312
Energy: 1.481982021288302
Energy: 1.5622420237226031
Energy: 1.5691988728022574
Energy: 1.4826820055266103
Energy: 1.5611806161642043
Energy: 1.4800628221561285
Energy: 1.6513432824258163
Energy: 1.486678352149098
Energy: 1.5154045740731419
Energy: 1.6531449213742146
Energy: 1.4978721941476514
Energy: 1.5174214125970444
Energy: 1.5254879305705826
Energy: 1.4730090010011683
Energy: 1.486747101260243
Energy: 1.5257465951118514
Energy: 1.4726170072612326
Energy: 1.4878161407969848
Energy: 1.560182600000031
Energy: 1.5604218032629276
Energy: 1.560336059495827
Energy: 1.5079669742773687
Energy: 1.5508570310425027
Energy: 1.5073437558187222

minimum gb energy = 1.377821820248822 eV
minimum distance =  2.28644043992193 Angstroms
sigma value = 19


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

Energy: 2.1800073268185676
Energy: 1.6810153017281104
Energy: 1.5898935246764567
Energy: 1.506656606241234
Energy: 1.5625130995211916
Energy: 1.545198054767439
Energy: 1.736264251620905
Energy: 1.5281916195521597
Energy: 1.5226576012461914
Energy: 1.7358837882673128
Energy: 1.5212396884488522
Energy: 1.5237493608201504
Energy: 1.5286963392135746
Energy: 1.4176500327307595
Energy: 1.488078460439925
Energy: 1.5281654256587494
Energy: 1.4182488983992318
Energy: 1.4948915640497762
Energy: 1.522025509094284
Energy: 1.5276397222392726
Energy: 1.528090278551195
Energy: 1.520779901168301
Energy: 1.525306635129426
Energy: 1.5261328579534605
Energy: 1.4346280252112213
Energy: 1.5219350764751123
Energy: 1.519289769196543
Energy: 1.4363833810606539
Energy: 1.5294106745356795
Energy: 1.4941999451690853
Energy: 1.5676578889743469
Energy: 1.527769376654414
Energy: 1.5285668814116062
Energy: 1.5612964548110824
Energy: 1.6173038349665048
Energy: 1.5270130188555873
Energy: 1.5112396042057863
Energy: 1.5305720148675914
Energy: 1.5334009794509023
Energy: 1.5260772139485472
Energy: 1.5216806721469147
Energy: 1.5028863116680462
Energy: 1.5207016660182076
Energy: 1.4957648702618944
Energy: 1.5222529179916753
Energy: 1.526949408857768
Energy: 1.537770744164662
Energy: 1.5196986988000838
Energy: 1.4182045626766893
Energy: 1.5015366997880557
Energy: 1.490940489944525
Energy: 1.4171372575994614
Energy: 1.5288010614391725
Energy: 1.494854106673541
Energy: 1.41650971093974
Energy: 1.507327002764448
Energy: 1.5057400134283279
Energy: 1.4175519910766718
Energy: 1.4920113832803443
Energy: 1.5063676318315729
Energy: 1.5211804559134567
Energy: 1.394437770234377
Energy: 1.3995524008406979
Energy: 1.52132008164671
Energy: 1.3944290293450077
Energy: 1.3973272723014485
Energy: 1.599157704822609
Energy: 1.50828591289806
Energy: 1.5106181458351957
Energy: 1.6009347051597742
Energy: 1.51240455886982
Energy: 1.5087386831107248
Energy: 1.4896998019352257
Energy: 1.4997658258691746
Energy: 1.50845677616834
Energy: 1.448898888261091
Energy: 1.5245611441860116
Energy: 1.5022921168280774
Energy: 1.5744778172097793
Energy: 1.506811040809735
Energy: 1.5080565997201303
Energy: 1.4756257681836422
Energy: 1.5115055774457826
Energy: 1.4973659005523858
Energy: 1.5034399110603514
Energy: 1.3955013684539053
Energy: 1.489043566149194
Energy: 1.502993442520088
Energy: 1.3928546372511363
Energy: 1.489422070978683
Energy: 1.543113671078525
Energy: 1.4881717312990403
Energy: 1.488730905298006
Energy: 1.539042909507981
Energy: 1.3936518524511967
Energy: 1.4874237586309733
Energy: 1.4610523683295387
Energy: 1.4861710336664176
Energy: 1.5287571230644224
Energy: 1.391962264474387
Energy: 1.4856702893574534
Energy: 1.5110126865609428
Energy: 1.539169741943557
Energy: 1.49602428078136
Energy: 1.495518474472539
Energy: 1.4804099091104064
Energy: 1.5449850418255326
Energy: 1.4868336888771032
Energy: 1.5308055509900673
Energy: 1.4608105140383887
Energy: 1.5274518844744556
Energy: 1.5324405250128
Energy: 1.46608161338409
Energy: 1.5071070625684493
Energy: 1.5151944608646442
Energy: 1.5447162664715308
Energy: 1.5276093315160657
Energy: 1.517131277807926
Energy: 1.3899673856546662
Energy: 1.5072170205524607
Energy: 1.3976812774756497
Energy: 1.4954182606398265
Energy: 1.4933774690211075
Energy: 1.3980089353143756
Energy: 1.5033698055537548
Energy: 1.4913329342790091
Energy: 1.4406649555820032
Energy: 1.5130830708435954
Energy: 1.5074171544856387
Energy: 1.4397023432200828
Energy: 1.5442009079163626
Energy: 1.4982916861875764
Energy: 1.4974647745627685
Energy: 1.5079782954686882
Energy: 1.5289284516602382
Energy: 1.4974304074947533
Energy: 1.502205845593321
Energy: 1.4884952336871327
Energy: 1.5196740768563521
Energy: 1.4900476671481633
Energy: 1.483214440914239
Energy: 1.5200452404709373
Energy: 1.3841034594522832
Energy: 1.4908917534604977
Energy: 1.4953016658802356
Energy: 1.5050544056445436
Energy: 1.5106025920167685
Energy: 1.4589634446130801
Energy: 1.5033075316432316
Energy: 1.5116871681396102
Energy: 1.449707509266607
Energy: 1.5208372830820411
Energy: 1.528514597564582
Energy: 1.4142702883499092
Energy: 1.5198855746830944
Energy: 1.5179365150022803
Energy: 1.5117737545399612
Energy: 1.504701664020811
Energy: 1.4985127236193743
Energy: 1.511733812250382
Energy: 1.4189697507580579
Energy: 1.4970901731713986
Energy: 1.527531999158782
Energy: 1.5047461801045554
Energy: 1.5112084089130753
Energy: 1.5281334659140091
Energy: 1.4176479795522008
Energy: 1.5126313009542722
Energy: 1.5141030881619009
Energy: 1.557368949155328
Energy: 1.5584499413443544
Energy: 1.3823303879929576
Energy: 1.528725864787636
Energy: 1.4799125319159263

minimum gb energy = 1.3823303879929576 eV
minimum distance =  2.28221808843762 Angstroms
sigma value = 101


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

Energy: 1.9909206070898815
Energy: 1.516532860239871
Energy: 1.4937573812085605
Energy: 1.8682715517050505
Energy: 1.5166492590188576
Energy: 1.8706579137010528
Energy: 1.692916489126375
Energy: 1.489230292770579
Energy: 1.4733705408032256
Energy: 1.5932366845147066
Energy: 1.4928575952453413
Energy: 1.4729870789596682
Energy: 1.5201633403047874
Energy: 1.3510167202869545
Energy: 1.3479074506336899
Energy: 1.520524087838504
Energy: 1.3504048689998556
Energy: 1.347228824140635
Energy: 1.4916305549444766
Energy: 1.474946622893693
Energy: 1.4706045097307072
Energy: 1.4927070351426226
Energy: 1.4709827418457782
Energy: 1.4696665844196826
Energy: 1.3677762053571185
Energy: 1.5017005617724244
Energy: 1.4683657253024318
Energy: 1.3709481527422946
Energy: 1.5220714603909207
Energy: 1.3674471215785646
Energy: 1.4723432016424005
Energy: 1.4706221563479875
Energy: 1.4722161755495893
Energy: 1.4740758911369982
Energy: 1.516661145405331
Energy: 1.4712783711138755
Energy: 1.460107396449932
Energy: 1.4016933101112623
Energy: 1.4031607108779445
Energy: 1.4617760084588753
Energy: 1.3987245819146548
Energy: 1.4122103287530194
Energy: 1.5237327523069797
Energy: 1.471729196192135
Energy: 1.4740652863807813
Energy: 1.4942293087191199
Energy: 1.4669572160089774
Energy: 1.4730501875268007
Energy: 1.349810731726394
Energy: 1.4534066689886904
Energy: 1.3489571667684213
Energy: 1.3499247527718197
Energy: 1.5188936989124806
Energy: 1.3491030414847969
Energy: 1.3463761936716439
Energy: 1.4740699878308479
Energy: 1.4707103209609085
Energy: 1.3470782625045163
Energy: 1.5167980953015556
Energy: 1.4705428478914941
Energy: 1.4997162153643833
Energy: 1.3187811864941215
Energy: 1.3182334240499307
Energy: 1.4997712111063333
Energy: 1.3176042872817586
Energy: 1.3182985842527346
Energy: 1.4994125187355578
Energy: 1.4700197597788778
Energy: 1.471923484856688
Energy: 1.4991194392374407
Energy: 1.4765221387534824
Energy: 1.469911411145363
Energy: 1.4008189815732426
Energy: 1.4794538090491014
Energy: 1.4342349593256847
Energy: 1.3455426760763507
Energy: 1.5201907021156562
Energy: 1.4072519730924664
Energy: 1.4001165533972544
Energy: 1.478796926321248
Energy: 1.4768569783802983
Energy: 1.4528854420993322
Energy: 1.505476423943462
Energy: 1.4718180721088343
Energy: 1.518385377972041
Energy: 1.3479381057874744
Energy: 1.347547919267141
Energy: 1.520372180604647
Energy: 1.3518268516792118
Energy: 1.349521489902596
Energy: 1.5894612127924925
Energy: 1.4534561850634613
Energy: 1.4718352343017826
Energy: 1.534804313293473
Energy: 1.3496664396377949
Energy: 1.4704001607550263
Energy: 1.9910441597215063
Energy: 1.4274248763056836
Energy: 1.4718409153833039
Energy: 1.3164412374267795
Energy: 1.4270240955604148
Energy: 1.3176744180930848
Energy: 1.5345669618981248
Energy: 1.5034150353083853
Energy: 1.4893030578460793
Energy: 1.536601989370631
Energy: 1.5038776596980623
Energy: 1.4678951416290449
Energy: 1.518505286948758
Energy: 1.4020592214769598
Energy: 1.475148397878489
Energy: 1.5186876146881845
Energy: 1.3475044533266125
Energy: 1.473710281620874
Energy: 1.502630406186009
Energy: 1.4713936000944174
Energy: 1.4734274476352758
Energy: 1.503980947820742
Energy: 1.3493558690288963
Energy: 1.472072709894024
Energy: 1.3722611954008335
Energy: 1.4984314557299014
Energy: 1.4062430006173299
Energy: 1.369813286348958
Energy: 1.5016275361713087
Energy: 1.3679264937343794
Energy: 1.4461124929276408
Energy: 1.474817274324229
Energy: 1.4723432277015032
Energy: 1.4482406928574707
Energy: 1.5356880856211959
Energy: 1.4720273176009433
Energy: 1.4160694842946948
Energy: 1.4028115789544129
Energy: 1.4471772133847158
Energy: 1.4161001421733528
Energy: 1.3986094771758562
Energy: 1.4019492448881177
Energy: 1.452980957429101
Energy: 1.467401398725656
Energy: 1.470912944661772
Energy: 1.4523772258693757
Energy: 1.4088457069085465
Energy: 1.471296440927045
Energy: 1.3636278211976827
Energy: 1.4756554114185652
Energy: 1.4727041148158704
Energy: 1.3641970835873554
Energy: 1.499818455070528
Energy: 1.446382241736254
Energy: 1.3491565166084836
Energy: 1.477272306856902
Energy: 1.4705482018324714
Energy: 1.3509929072575073
Energy: 1.5163561044759994
Energy: 1.4711645185612863
Energy: 1.5145881190651818
Energy: 1.3193755070758
Energy: 1.4733460676784644
Energy: 1.4993422825603764
Energy: 1.318325982987987
Energy: 1.4688273785308161
Energy: 1.5158889457576545
Energy: 1.4603963138235398
Energy: 1.4730512797020465
Energy: 1.5172608119191644
Energy: 1.3188033450770007
Energy: 1.4776771001176645
Energy: 1.4006816216163873
Energy: 1.4924048940653354
Energy: 1.476145845159614
Energy: 1.343710924731233
Energy: 1.5188169966962883
Energy: 1.4757339769381081
Energy: 1.401445173253667
Energy: 1.4869291950383152
Energy: 1.4058097182186533
Energy: 1.343752497910811
Energy: 1.499387383286827
Energy: 1.449363576935919
Energy: 1.5161840305227718
Energy: 1.349715996466153
Energy: 1.4535212214147761
Energy: 1.5174211294670181
Energy: 1.347665528798835
Energy: 1.4550793643136077
Energy: 1.518299523320185
Energy: 1.4017055585141749
Energy: 1.4498232949633019
Energy: 1.5191026087499542
Energy: 1.399152549043342
Energy: 1.4066042534562904
Energy: 1.426413005813325
Energy: 1.3496208390368234
Energy: 1.4100648334072368
Energy: 1.3159259217451016
Energy: 1.4278118138607163
Energy: 1.4101454878320847

minimum gb energy = 1.3159259217451016 eV
minimum distance =  2.28557726940761 Angstroms
sigma value = 33


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

Energy: 0.020466030766388265
Energy: 1.1147343233037985
Energy: 0.021234460154863227
Energy: 0.023114900784342758
Energy: 1.1174057181484116
Energy: 0.021087038258515513
Energy: 0.7594247433816508
Energy: 0.17753375594679177
Energy: 0.1748845991238632
Energy: 0.17527484790498693
Energy: 0.1750708680949129
Energy: 0.1745562638912482
Energy: 1.7016338769774524
Energy: 1.1183086382422545
Energy: 1.1158278049650703
Energy: 1.1125775041961108
Energy: 1.1166319663706086
Energy: 1.115804593976464
Energy: 0.021639847883420674
Energy: 0.17753375594725918
Energy: 0.1748845991243306
Energy: 0.17527484790451953
Energy: 0.1750708680949129
Energy: 0.17455626389078083

minimum gb energy = 0.020466030766388265 eV
minimum distance =  2.45865493407378 Angstroms
sigma value = 1