Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.146558970212937
cohesive_energy=6.810535640519527
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017406880418206386
Energy: 0.017636479785214626
Energy: 8.118970494152714
Energy: 0.017636479785214626
Energy: 0.017636479785214626
Energy: 0.01828860944851639
Energy: 1.4263168285580443
Energy: 0.01828860944851639
Energy: 8.140693183106029
Energy: 1.4263168285580443
Energy: 1.426278810231306
Energy: 1.4263168285580443
Energy: 0.017636479785214626
Energy: 0.01828860944768852
Energy: 1.4263168285580443
Energy: 0.01828860944768852

minimum gb energy = 0.017406880418206386 eV
minimum distance =  2.71936009331825 Angstroms
sigma value = 1


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

Energy: 2.097074098165053
Energy: 1.8365634006344584
Energy: 13.583069475877048
Energy: 1.8365634006334544
Energy: 2.2123600147209483
Energy: 1.6886355239364352
Energy: 1.5890428382967232
Energy: 1.6886355239374393
Energy: 2.315368979744242
Energy: 1.521098508184286
Energy: 1.4704457343640303
Energy: 1.521098508183282
Energy: 1.9815625839940278
Energy: 1.7353067797148058
Energy: 1.5208734523582588
Energy: 1.7353067797138015
Energy: 1.9985711584624026
Energy: 1.7375528184757159
Energy: 2.04447768680094
Energy: 1.7375528184777238
Energy: 2.1691605292167404
Energy: 1.6771111074295084
Energy: 1.4552581247809082
Energy: 1.6771111074295084
Energy: 1.7046081890904448
Energy: 1.727362093681867
Energy: 1.4551431210068873
Energy: 1.727362093681867
Energy: 1.4582003280848443
Energy: 1.6171169100345486
Energy: 2.0034151356230514
Energy: 1.6171169100355525
Energy: 1.7039389147093866
Energy: 1.7256775480129616
Energy: 1.9347395243305439
Energy: 1.7256775480119577
Energy: 2.2894769661390995
Energy: 1.7632381833873816
Energy: 1.7257534896432316
Energy: 1.7632381833883857
Energy: 1.4754221147601023
Energy: 1.7350050844519733
Energy: 1.8489164020604607
Energy: 1.7350050844519733
Energy: 1.4756245908793666
Energy: 1.4753836570717582
Energy: 2.7570751885672595
Energy: 1.4753836570717582
Energy: 1.8231859146938068
Energy: 1.7404288798701275
Energy: 1.9983776862213811
Energy: 1.7404288798701275
Energy: 7.252002807653425
Energy: 1.7344469261316675
Energy: 2.0088106129219128
Energy: 1.7344469261306634
Energy: 1.5107653523224827
Energy: 1.679661431716563
Energy: 2.1634355380437396
Energy: 1.6796614317155592
Energy: 1.5106717129344687
Energy: 1.6799232716695607
Energy: 2.171348640651222
Energy: 1.6799232716715684
Energy: 8.029724102128089
Energy: 1.734116447692261
Energy: 2.0115193974562366
Energy: 1.734116447692261
Energy: 1.8249118410530158
Energy: 1.73656584410182
Energy: 2.0041210130902622
Energy: 1.73656584410182
Energy: 1.481377209931432
Energy: 1.475315662053078
Energy: 2.8328088770110784
Energy: 1.4753156620520742
Energy: 1.4755670931883482
Energy: 1.7362274504861128
Energy: 1.7107550881893392
Energy: 1.7362274504861128
Energy: 2.3197688410064097
Energy: 1.7222805514150592
Energy: 1.7127659938077238
Energy: 1.7222805514140553
Energy: 1.7128771036822494
Energy: 1.6846652121174124
Energy: 1.9347745644487122
Energy: 1.6846652121184165
Energy: 1.5936875840759404
Energy: 1.6151653856771269
Energy: 1.75776182308758
Energy: 1.6151653856761228
Energy: 1.9566341218392398
Energy: 1.7216580508818853
Energy: 1.4547962683176376
Energy: 1.7216580508818853
Energy: 2.169356818826733
Energy: 1.6767642424021718
Energy: 1.4551113531000843
Energy: 1.6767642424012132
Energy: 1.9982072979809433
Energy: 1.733954850530526
Energy: 8.224919666830132
Energy: 1.7339548505315299
Energy: 1.9839961943320346
Energy: 1.7341655181684061
Energy: 1.5211742133795623
Energy: 1.7341655181694102
Energy: 2.4669968371761404
Energy: 1.5209983679430543
Energy: 1.4713543858403986
Energy: 1.5209983679440584
Energy: 2.2100757006486442
Energy: 1.6877679644027908
Energy: 1.5893724080056237
Energy: 1.6877679644027908
Energy: 2.0766546010170277
Energy: 1.7723455101867358
Energy: 13.495480897581151
Energy: 1.7723455101817613
Energy: 2.1832473537577646
Energy: 1.6882284605688018
Energy: 1.5890006301489974
Energy: 1.688228460569806
Energy: 2.169052611464563
Energy: 1.6343979466621876
Energy: 1.4721032851141742
Energy: 1.6343979466631915
Energy: 1.9984323896830292
Energy: 1.7373686826095232
Energy: 1.5212312111572415
Energy: 1.737368682610527

minimum gb energy = 1.4547962683176376 eV
minimum distance =  2.47517115655822 Angstroms
sigma value = 1


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

Energy: 2.204125447301915
Energy: 1.8504662409176613
Energy: 14.887194259450553
Energy: 1.8504662409176613
Energy: 2.042619862616536
Energy: 1.7936384671786825
Energy: 1.8340983821506998
Energy: 1.7936384671798273
Energy: 2.0642881433803786
Energy: 1.535648905395456
Energy: 1.5352524378365293
Energy: 1.535648905395456
Energy: 1.4945907280014115
Energy: 1.7968289370212969
Energy: 1.6727062839359828
Energy: 1.796828937020152
Energy: 1.4947338113915285
Energy: 1.7961628936966028
Energy: 2.322651254563212
Energy: 1.7961628936966028
Energy: 2.0641315687716184
Energy: 1.512032392375671
Energy: 1.5113535877749118
Energy: 1.512032392375671
Energy: 1.5125043403931182
Energy: 1.7926656085675046
Energy: 1.5112820015544466
Energy: 1.7926656085675046
Energy: 1.5114470089764178
Energy: 1.5116686669418422
Energy: 2.2310289949488045
Energy: 1.5116686669418422
Energy: 1.512054932072978
Energy: 1.6637991268518493
Energy: 2.0674382656200514
Energy: 1.6637991268518493
Energy: 14.449938163318825
Energy: 1.494985752009406
Energy: 1.494682428703352
Energy: 1.4949857520082614
Energy: 1.5354395985428084
Energy: 1.7906914800843692
Energy: 2.067529265324556
Energy: 1.7906914800832243
Energy: 1.6272429633468104
Energy: 1.6709939819532995
Energy: 2.6572057780701623
Energy: 1.6709939819532995
Energy: 14.06043218049843
Energy: 1.796688119176147
Energy: 2.136680610304999
Energy: 1.7966881191750024
Energy: 13.813544759489602
Energy: 1.79670455784616
Energy: 2.1376200481992993
Energy: 1.79670455784616
Energy: 1.626916494129616
Energy: 1.670981698275205
Energy: 2.6562818646247637
Energy: 1.670981698275205
Energy: 1.5354020873771679
Energy: 1.7906425311184813
Energy: 2.0675395962939036
Energy: 1.790642531119626
Energy: 14.530109723943278
Energy: 1.4949715052658505
Energy: 1.4946863950800968
Energy: 1.494971505264706
Energy: 1.5122774710244573
Energy: 1.6637050762492376
Energy: 2.067669991158888
Energy: 1.6637050762492376
Energy: 1.5114380600701285
Energy: 1.5115931409784362
Energy: 2.2310289949488045
Energy: 1.5115931409784362
Energy: 1.5123105350630037
Energy: 1.7926168061000538
Energy: 1.511408746013957
Energy: 1.7926168061000538
Energy: 2.0636527512535485
Energy: 1.5122327671220177
Energy: 1.511591406899947
Energy: 1.5122327671220177
Energy: 1.494700508390347
Energy: 1.7909205079740171
Energy: 2.3226512545597777
Energy: 1.7909205079751622
Energy: 1.4946137261348889
Energy: 1.7965553660388567
Energy: 1.6727062839359828
Energy: 1.796555366037712
Energy: 2.064176367524057
Energy: 1.535634341681767
Energy: 1.5353291999492729
Energy: 1.535634341681767
Energy: 2.0427108014201214
Energy: 1.7939005271637436
Energy: 1.8340983821506998
Energy: 1.7939005271637436
Energy: 2.204125447301915
Energy: 1.8504662409154238
Energy: 14.856120462846668
Energy: 1.8504662409165684
Energy: 2.042619862617681
Energy: 1.7936384671786825
Energy: 1.8340983821506998
Energy: 1.7936384671786825
Energy: 2.0642881433803786
Energy: 1.5356489053966007
Energy: 1.5352524378376742
Energy: 1.5356489053966007
Energy: 1.4945907280025565
Energy: 1.796828937020152
Energy: 1.6727062839359828
Energy: 1.796828937020152

minimum gb energy = 1.4945907280014115 eV
minimum distance =  2.48269410223829 Angstroms
sigma value = 25


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

Energy: 2.0367582628161514
Energy: 2.0367490611047785
Energy: 10.261706956745279
Energy: 2.0367490611061094
Energy: 2.268635128724506
Energy: 1.7698264612993466
Energy: 1.7985535965475203
Energy: 1.7698264613006773
Energy: 2.2659733781771476
Energy: 1.633455877790631
Energy: 1.606745744688908
Energy: 1.633455877790631
Energy: 1.9721857483899186
Energy: 1.8024099555424353
Energy: 1.7990534139975327
Energy: 1.8024099555411044
Energy: 1.9528575980983536
Energy: 1.8024932423057665
Energy: 1.9984837725930429
Energy: 1.8024932423044357
Energy: 2.248449794788658
Energy: 1.5790980357784845
Energy: 1.5788891690877542
Energy: 1.5790980357784845
Energy: 1.6170509429815116
Energy: 1.9213710265295936
Energy: 1.5789905362153969
Energy: 1.9213710265295936
Energy: 1.5759869042300103
Energy: 1.6169519253894116
Energy: 2.634814863782053
Energy: 1.6169519253894116
Energy: 1.7207495106780486
Energy: 1.8652943454172004
Energy: 1.9578406645575326
Energy: 1.8652943454158697
Energy: 9.314377288189645
Energy: 1.9098056423276353
Energy: 1.9839680571356737
Energy: 1.909805642316989
Energy: 1.6479044838612913
Energy: 1.8652223621848525
Energy: 2.2266759648007346
Energy: 1.8652223621835218
Energy: 1.6987787535161285
Energy: 1.617600723345881
Energy: 2.222597683748188
Energy: 1.6176007233472118
Energy: 9.311706120671781
Energy: 1.8269313956317816
Energy: 1.9667995262538631
Energy: 1.8269313956317816
Energy: 1.721872415645042
Energy: 1.8654488384178778
Energy: 1.955506178634657
Energy: 1.8654488384178778
Energy: 1.5847968798569063
Energy: 1.6174395538522952
Energy: 2.6009695571689875
Energy: 1.6174395538522952
Energy: 1.6166816904643224
Energy: 1.803163469567578
Energy: 1.5794353547932454
Energy: 1.803163469567578
Energy: 2.670533890815251
Energy: 1.5790600125152687
Energy: 1.5788432152389351
Energy: 1.5790600125165997
Energy: 1.9287074792832695
Energy: 1.8027371019300908
Energy: 1.997788213426195
Energy: 1.8027371019300908
Energy: 1.969911334959585
Energy: 1.8024285891437095
Energy: 1.7991088228787504
Energy: 1.8024285891437095
Energy: 1.92976820100586
Energy: 1.5793670479098187
Energy: 1.6086513946115506
Energy: 1.5793670479098187
Energy: 2.2779669516554293
Energy: 1.7701881359706102
Energy: 1.6340781819863324
Energy: 1.7701881359706102
Energy: 2.0272430638465897
Energy: 1.9518728912255878
Energy: 9.191937023490235
Energy: 1.9518728912269188
Energy: 2.265520210900128
Energy: 1.8958381262684723
Energy: 1.7994127174886547
Energy: 1.8958381262671415
Energy: 2.4090634618054323
Energy: 1.6334824356339306
Energy: 1.6334551775880013
Energy: 1.6334824356352615
Energy: 1.9539171416931567
Energy: 1.8025328033880053
Energy: 1.6341183161583785
Energy: 1.8025328033880053

minimum gb energy = 1.5759869042300103 eV
minimum distance =  2.43198444387785 Angstroms
sigma value = 9


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

Energy: 1.615981178785991
Energy: 1.616749461312448
Energy: 17.878048877235432
Energy: 1.616749461312448
Energy: 1.6155102706872795
Energy: 1.8345513481653979
Energy: 1.6208678363408486
Energy: 1.8345513481653979
Energy: 1.8026846620498018
Energy: 1.67946853262651
Energy: 1.8029591883331229
Energy: 1.6794685326280971
Energy: 1.6200014654744634
Energy: 1.6199923039732336
Energy: 1.6220921883899315
Energy: 1.6199923039732336
Energy: 1.6204029336534167
Energy: 1.6212492914441374
Energy: 1.8013028592985492
Energy: 1.6212492914441374
Energy: 2.813042402189436
Energy: 1.6201166451962867
Energy: 1.6196242385588853
Energy: 1.6201166451962867
Energy: 1.8027195060325925
Energy: 1.6213499272876675
Energy: 1.6203503260827008
Energy: 1.6213499272876675
Energy: 1.8025809704054383
Energy: 1.801441560353097
Energy: 2.3999798968859456
Energy: 1.801441560353097
Energy: 17.38369814622984
Energy: 1.8347577056926372
Energy: 1.6155740596350603
Energy: 1.8347577056926372
Energy: 17.51369403961892
Energy: 1.615673254236628
Energy: 1.615625923685669
Energy: 1.615673254236628
Energy: 1.8026851072415595
Energy: 1.8343177622522964
Energy: 2.3995518975653267
Energy: 1.8343177622538842
Energy: 1.6789577541876823
Energy: 1.8540971180649508
Energy: 1.620825629073847
Energy: 1.8540971180649508
Energy: 2.8130527762743838
Energy: 1.620338669737508
Energy: 1.6197585876138598
Energy: 1.620338669737508
Energy: 1.6200667270940383
Energy: 1.726430158943384
Energy: 1.6206049226990042
Energy: 1.726430158943384
Energy: 1.6197790052861205
Energy: 1.620240377409344
Energy: 2.8130527762743838
Energy: 1.620240377409344
Energy: 1.6201623901840525
Energy: 1.854302738239946
Energy: 1.6790191835268138
Energy: 1.854302738239946
Energy: 2.399600651562291
Energy: 1.8343817963722229
Energy: 1.8027108157657088
Energy: 1.8343817963722229
Energy: 1.6156594622298133
Energy: 1.6157252867009482
Energy: 17.579708559107036
Energy: 1.6157252867009482
Energy: 1.6155388558035364
Energy: 1.8352539653516269
Energy: 17.52372408471431
Energy: 1.8352539653516269
Energy: 2.4000306619409
Energy: 1.8014763314111757
Energy: 1.8028577495310096
Energy: 1.8014763314111757
Energy: 1.6204287635996892
Energy: 1.6212963330098047
Energy: 1.8026059134734846
Energy: 1.6212963330098047

minimum gb energy = 1.6155102706872795 eV
minimum distance =  2.48400291115051 Angstroms
sigma value = 25


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

Energy: 1.7800503375268835
Energy: 2.283391790307436
Energy: 13.169716808444113
Energy: 2.283391790307436
Energy: 2.2725283269862344
Energy: 1.8143005238376113
Energy: 1.8077736038847156
Energy: 1.8143005238376113
Energy: 2.0816553373247797
Energy: 1.745945719158846
Energy: 1.7490755432274896
Energy: 1.745945719158846
Energy: 1.6784321793556936
Energy: 1.7616210928974156
Energy: 1.745480339054776
Energy: 1.7616210928974156
Energy: 1.9181787850602237
Energy: 1.8748832315671693
Energy: 2.3556539473996074
Energy: 1.8748832315671693
Energy: 12.367602207158827
Energy: 1.7092775075861875
Energy: 1.7140270474178463
Energy: 1.7092775075861875
Energy: 1.9425142852514201
Energy: 1.761891111350966
Energy: 1.7096670651123897
Energy: 1.7618911115158356
Energy: 1.9273308868467796
Energy: 1.8467107798296394
Energy: 2.3566494451172044
Energy: 1.8467107798296394
Energy: 1.942481300047489
Energy: 1.7102056909440284
Energy: 1.7090234469051495
Energy: 1.7102056909440284
Energy: 2.0669866310766962
Energy: 1.7110813261676645
Energy: 1.7102372431192723
Energy: 1.7110813261676645
Energy: 1.7595737838057723
Energy: 1.761486969294878
Energy: 2.3073725780578003
Energy: 1.761486969294878
Energy: 1.7597640511042587
Energy: 1.7099748244861286
Energy: 1.7455068459299194
Energy: 1.7099748244841653
Energy: 2.157438279591084
Energy: 1.7460020071237083
Energy: 1.7488434283114513
Energy: 1.7460020071237083
Energy: 2.2648822674158033
Energy: 1.9067876023063153
Energy: 12.493992076522277
Energy: 1.9067876023063153
Energy: 2.049418172030652
Energy: 2.05318037968639
Energy: 12.477185929857097
Energy: 2.05318037968639
Energy: 2.2863566019485484
Energy: 1.697039250182464
Energy: 1.745295923074335
Energy: 1.6970392502079417
Energy: 1.7602225951830923
Energy: 1.710038301196034
Energy: 1.7490836433393115
Energy: 1.7100383012254383

minimum gb energy = 1.6784321793556936 eV
minimum distance =  2.46225082198132 Angstroms
sigma value = 17


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

Energy: 2.109721821411239
Energy: 2.0861193547909105
Energy: 14.475909390598337
Energy: 2.0861193547909105
Energy: 2.152640976684873
Energy: 1.8076744572681642
Energy: 1.8594096874244206
Energy: 1.8076744572681642
Energy: 2.007165684661302
Energy: 1.7365701069696633
Energy: 1.6962820318374279
Energy: 1.7365701069696633
Energy: 1.7189362240033257
Energy: 1.71866250875813
Energy: 1.8596880043498774
Energy: 1.71866250875813
Energy: 1.7524788266755218
Energy: 1.7684955133030473
Energy: 2.0914739376783977
Energy: 1.7684955133019353
Energy: 9.195824201226651
Energy: 1.8861623244241656
Energy: 1.7655954535264542
Energy: 1.886162324419718
Energy: 2.0648604394188586
Energy: 1.7194224833708769
Energy: 2.049940439557822
Energy: 1.7194224833742124
Energy: 1.770602210474516
Energy: 1.6993062938351222
Energy: 2.1828996513124395
Energy: 1.6993062938317864
Energy: 1.7701446824811697
Energy: 1.7482719055308673
Energy: 1.69711850878501
Energy: 1.7482719055308673
Energy: 2.183060693012713
Energy: 1.6761832428130141
Energy: 1.8543468777338434
Energy: 1.676183242790776
Energy: 1.7446866439185524
Energy: 1.7424731047631068
Energy: 8.342663219889358
Energy: 1.7424731047619948
Energy: 1.7397807425275242
Energy: 1.7468344548990995
Energy: 1.9591479612662628
Energy: 1.7468344549002115
Energy: 2.2567333289875218
Energy: 1.7638182613527187
Energy: 1.8012602852569475
Energy: 1.7638182613538307
Energy: 1.7540970241099685
Energy: 1.7449863044824812
Energy: 1.9001587224417391
Energy: 1.7449863044813692
Energy: 1.7382408939897653
Energy: 1.8563676916679839
Energy: 2.3057997259209646
Energy: 1.8563676916690959
Energy: 2.188256120657799
Energy: 1.7494697230276735
Energy: 1.6939906067583028
Energy: 1.7494697230287855
Energy: 1.7884675856044923
Energy: 1.843989422005185
Energy: 1.7492087355136199
Energy: 1.8439894220040731
Energy: 1.7725187982734647
Energy: 1.7885063298474015
Energy: 2.2694830109829103
Energy: 1.7885063298474015
Energy: 8.230608312465199
Energy: 1.6745182253502455
Energy: 1.916605313245279
Energy: 1.6745182253524695
Energy: 2.403889486008835
Energy: 1.8425873914708775
Energy: 2.05833043018632
Energy: 1.8425873914708775
Energy: 1.699361885707428
Energy: 1.7879918425369898
Energy: 2.1397701083718776
Energy: 1.787991842535878
Energy: 1.698646364307869
Energy: 1.8050221368708925
Energy: 1.735889753664543
Energy: 1.8050221368708925
Energy: 2.115920188737308
Energy: 1.7360942623443367
Energy: 1.7358923958243946
Energy: 1.7360942623443367
Energy: 2.106203875751801
Energy: 1.7183847912558383
Energy: 8.50502366491897
Energy: 1.7183847912636216
Energy: 2.1197733950877735
Energy: 1.7166694024703553
Energy: 8.410274473498909
Energy: 1.7166694024703553
Energy: 2.1141873193407017
Energy: 1.7359993720822937
Energy: 1.7362132887608486
Energy: 1.73599937208007
Energy: 1.6974767748485353
Energy: 1.7487480694690007
Energy: 1.7360684409181497
Energy: 1.748748069466777
Energy: 1.6990779343335947
Energy: 1.6986657197138755
Energy: 2.1554360289562067
Energy: 1.6986657197127637
Energy: 2.155947375299295
Energy: 1.8590467947385148
Energy: 2.062798715227253
Energy: 1.8590467947385148
Energy: 8.208310952780728
Energy: 1.6745850657805395
Energy: 1.7642447618956516
Energy: 1.6745850657816514

minimum gb energy = 1.6745182253502455 eV
minimum distance =  2.473206366317 Angstroms
sigma value = 53


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

Energy: 1.5097413283944614
Energy: 1.5395743907493975
Energy: 6.629655430354408
Energy: 1.5395743907493975
Energy: 1.8655023501069858
Energy: 1.5872956665863613
Energy: 1.8653493998745223
Energy: 1.5872956665863613
Energy: 2.53744829937051
Energy: 1.890140396363337
Energy: 2.1490664815856086
Energy: 1.8901403963658971
Energy: 2.148991756818582
Energy: 1.8901959031738296
Energy: 2.5375757551487483
Energy: 1.8901959031738296
Energy: 1.8653667075206415
Energy: 1.587502305340444
Energy: 1.8655958224906442
Energy: 1.587502305340444
Energy: 4.99265276827789
Energy: 1.5395743907493975
Energy: 1.5097413283944614
Energy: 1.5395743907493975
Energy: 1.8653493998770825
Energy: 1.5872956665863613
Energy: 1.865502350104426
Energy: 1.5872956665863613
Energy: 2.1490664815856086
Energy: 1.8901403963658971
Energy: 2.53744829937051
Energy: 1.8901403963658971
Energy: 2.5375757551487483
Energy: 1.8901959031738296
Energy: 2.148991756818582
Energy: 1.8901959031738296
Energy: 1.8655958224906442
Energy: 1.587502305340444
Energy: 1.8653667075206415
Energy: 1.587502305340444
Energy: 1.5097413283944614
Energy: 1.5395743907493975
Energy: 6.193879405051685
Energy: 1.5395743907493975
Energy: 1.865502350104426
Energy: 1.5872956665863613
Energy: 1.8653493998745223
Energy: 1.5872956665863613
Energy: 2.53744829937051
Energy: 1.8901403963658971
Energy: 2.1490664815856086
Energy: 1.8901403963658971

minimum gb energy = 1.5097413283944614 eV
minimum distance =  2.45793623332485 Angstroms
sigma value = 9


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

Energy: 1.9951062994746604
Energy: 2.008098372286857
Energy: 12.87933185986919
Energy: 2.008098372286857
Energy: 2.294645464056333
Energy: 2.01261913469898
Energy: 2.2210200961162454
Energy: 2.012619134698032
Energy: 1.878172717161577
Energy: 1.769945338416628
Energy: 1.7687163892344246
Energy: 1.769945338416628
Energy: 1.8517899409199412
Energy: 1.7984144555628074
Energy: 1.986204336904063
Energy: 1.7984144555609125
Energy: 2.0074177105170485
Energy: 1.7635155877178061
Energy: 2.248434986660378
Energy: 1.763515587716859
Energy: 7.605505133276564
Energy: 1.8982507225258247
Energy: 1.9297975100183553
Energy: 1.8982507225276763
Energy: 1.9254162785893627
Energy: 1.8401421942396896
Energy: 2.377081511032155
Energy: 1.8401421942396896
Energy: 1.7626099813416376
Energy: 1.829408103791291
Energy: 1.9453018693067559
Energy: 1.8294081037893963
Energy: 2.04877234569871
Energy: 1.7694547277033825
Energy: 1.8789957251232705
Energy: 1.7694547277033825
Energy: 1.9126153939360044
Energy: 1.7723384321442854
Energy: 2.050016774863186
Energy: 1.7723384321433384
Energy: 1.8005733559682338
Energy: 1.8856990055325493
Energy: 7.95822980253132
Energy: 1.8856990055334968
Energy: 2.427980028478661
Energy: 1.7804916256248795
Energy: 1.8785820555436823
Energy: 1.7804916255851309
Energy: 1.9213628735841406
Energy: 1.8371778891490635
Energy: 1.7897865601514746
Energy: 1.837177889152853
Energy: 1.9627910351748286
Energy: 1.8583130810968616
Energy: 1.9263869680039634
Energy: 1.8583130810978088
Energy: 2.010884871287512
Energy: 1.8343516035708114
Energy: 1.7833499355307925
Energy: 1.8343516035679694
Energy: 2.323937041244378
Energy: 1.8210254359460345
Energy: 1.7960688652734167
Energy: 1.821025435945087
Energy: 1.916255360619613
Energy: 1.888502690928783
Energy: 2.480403378065487
Energy: 1.8885026909297302
Energy: 1.8062652459728374
Energy: 1.8778085497790638
Energy: 7.380079226650219
Energy: 1.8778085497809585
Energy: 2.3070456497699205
Energy: 1.8191956968121352
Energy: 1.949557365489969
Energy: 1.8191956968121352
Energy: 1.7955376348887144
Energy: 1.8286472477403999
Energy: 1.884346890620938
Energy: 1.8286472477385052
Energy: 1.8420743241949313
Energy: 1.832413776341068
Energy: 2.25400942623037
Energy: 1.8324137763420154
Energy: 2.384740171771869
Energy: 1.7639802910437827
Energy: 1.935595184715088
Energy: 1.7639802910456774
Energy: 7.455680142487415
Energy: 1.8926559906511444
Energy: 1.921675019273101
Energy: 1.8926559906492497
Energy: 1.8891338349040243
Energy: 1.8540137378866763
Energy: 2.39967686837751
Energy: 1.8540137378876236
Energy: 1.8657410649054331
Energy: 1.8322074432876432
Energy: 1.7702867909381144
Energy: 1.832207443294275
Energy: 2.3052345240596748
Energy: 1.9290621880608378
Energy: 1.8585660732297373
Energy: 1.9290621880608378
Energy: 2.0900539327082535
Energy: 1.7840634720135513
Energy: 8.145980554733107
Energy: 1.7840634720116564
Energy: 1.9541246432838109
Energy: 1.783611605859002
Energy: 8.047977471601955
Energy: 1.7836116058571072
Energy: 2.2718322580290957
Energy: 1.92856266923307
Energy: 1.8536140527801612
Energy: 1.928562669237764
Energy: 1.8518546243298706
Energy: 1.8643150617046864
Energy: 1.7696283224452323
Energy: 1.8643150617046864
Energy: 1.8865347610541423
Energy: 1.8761807518315186
Energy: 2.2683286442786
Energy: 1.876180751832466
Energy: 7.637862197719501
Energy: 1.7684328673958738
Energy: 1.924671322612196
Energy: 1.7684328673911367
Energy: 2.4803698247832706
Energy: 1.7631194667669041
Energy: 1.929142240377487
Energy: 1.7631194671674892
Energy: 1.842324922668536
Energy: 1.8989597302737065
Energy: 2.5231315505594925
Energy: 1.898959730274654
Energy: 1.815136992163932
Energy: 1.8282370279769795
Energy: 1.876085441750022
Energy: 1.8282370279750846

minimum gb energy = 1.7626099813416376 eV
minimum distance =  2.42419032430263 Angstroms
sigma value = 73


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

Energy: 2.1076299216487557
Energy: 1.9760397057201924
Energy: 10.693658427869803
Energy: 1.9760397057216954
Energy: 2.1963429351909682
Energy: 1.9074825776648385
Energy: 2.1983472144026988
Energy: 1.9074825776648385
Energy: 1.9773167191032963
Energy: 1.883227762549458
Energy: 1.8082709282089928
Energy: 1.883227762550961
Energy: 1.858720675223882
Energy: 1.8220442915583603
Energy: 2.128451661601414
Energy: 1.8220442915598636
Energy: 2.200067416632954
Energy: 1.8180673767713371
Energy: 2.0089791136447115
Energy: 1.818067376769834
Energy: 10.25593175573569
Energy: 1.9429492801639652
Energy: 1.8431465022881663
Energy: 1.9429492801639652
Energy: 1.948843309667501
Energy: 1.871638762760238
Energy: 2.2323817134553416
Energy: 1.871638762760238
Energy: 1.8253269953160673
Energy: 1.8229037856577757
Energy: 1.9875626546877958
Energy: 1.8229037853557783
Energy: 2.296854289597202
Energy: 1.8841217978234737
Energy: 2.1205094336627157
Energy: 1.8841217978204676
Energy: 1.8191343602258276
Energy: 1.91201069138271
Energy: 2.0882653675432126
Energy: 1.91201069138271
Energy: 1.8176893616211232
Energy: 1.8258102359606352
Energy: 2.75845893628587
Energy: 1.8258102359591322
Energy: 2.3684132003562883
Energy: 1.9499848562216284
Energy: 2.0092213747158536
Energy: 1.9499848562216284
Energy: 9.887735193790203
Energy: 1.9431963303009847
Energy: 1.843151344591618
Energy: 1.9431963303009847
Energy: 1.9881807436436822
Energy: 1.8799603320201885
Energy: 2.4966591543190373
Energy: 1.8799603320201885
Energy: 1.857445856931154
Energy: 1.8238125935918386
Energy: 1.830760947976773
Energy: 1.8238125935903353
Energy: 2.2979245579916725
Energy: 1.9650697941344486
Energy: 1.893089176307233
Energy: 1.9650697941359514
Energy: 2.023298007448108
Energy: 1.9736504711146514
Energy: 10.412767608762076
Energy: 1.9736504711146514
Energy: 2.0221475730420857
Energy: 1.9555167820266401
Energy: 10.286305620691115
Energy: 1.9555167820266401
Energy: 2.3744601763067523
Energy: 1.9630824379981116
Energy: 1.9727783272902197
Energy: 1.9630824379996146
Energy: 1.8563996042737263
Energy: 1.9287878325501913
Energy: 1.8084596273184064
Energy: 1.9287878325501913
Energy: 1.9775397712354317
Energy: 1.9187906621906765
Energy: 2.5580618317502184
Energy: 1.9187906621906765
Energy: 9.985897275574564
Energy: 1.9309656970404703
Energy: 1.8385305423393483
Energy: 1.9309656970404703

minimum gb energy = 1.8082709282089928 eV
minimum distance =  2.43095182401176 Angstroms
sigma value = 7


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

Energy: 2.233684995456344
Energy: 2.0120841032451957
Energy: 13.695919504431226
Energy: 2.0120841032451957
Energy: 2.2567963759744245
Energy: 1.9769498565939214
Energy: 1.9513498813776162
Energy: 1.9769498565939214
Energy: 1.9472063117744292
Energy: 1.8925590255584364
Energy: 1.8943559739425648
Energy: 1.8925590255584364
Energy: 1.9511156652136916
Energy: 1.8471281418288252
Energy: 1.955821282873908
Energy: 1.847128141827762
Energy: 2.08679121509644
Energy: 1.890720137221865
Energy: 1.843203751917891
Energy: 1.8907201372208016
Energy: 13.115937583885382
Energy: 1.8474476890197526
Energy: 1.8533961186453014
Energy: 1.8474476890197526
Energy: 1.9119487645659228
Energy: 1.9498669538168338
Energy: 2.3095872576157483
Energy: 1.9498669538168338
Energy: 1.8529241955538847
Energy: 1.8472519721515241
Energy: 13.166504153326022
Energy: 1.8472519721515241
Energy: 2.318370815890556
Energy: 1.9992108857218756
Energy: 1.9500821328270639
Energy: 1.9992108857218756
Energy: 1.8871589173928291
Energy: 1.8470064021053856
Energy: 1.9508123960461445
Energy: 1.8470064021053856
Energy: 1.8935417814002886
Energy: 1.9802059683236308
Energy: 2.104475175079627
Energy: 1.9802059683246938
Energy: 13.534141144109133
Energy: 1.9825918378626493
Energy: 2.0915605988153443
Energy: 1.9825918378626493
Energy: 13.541340973260546
Energy: 1.9689965501369333
Energy: 2.100159520354967
Energy: 1.9689965501369333
Energy: 1.888572661844348
Energy: 1.9794386366197185
Energy: 2.436824751677617
Energy: 1.9794386366186556
Energy: 1.8929569432043547
Energy: 1.9661103392235846
Energy: 1.9459491473966781
Energy: 1.9661103392246473
Energy: 2.395575341896731
Energy: 2.1313966331041123
Energy: 1.9456862888536839
Energy: 2.1313966331041123
Energy: 1.8457497992985938
Energy: 1.8430435445683437
Energy: 2.085601874532934
Energy: 1.8430435445672808
Energy: 1.8410430308427599
Energy: 2.021159885535432
Energy: 2.3055232469153317
Energy: 2.0211598855364956
Energy: 2.68283977960995
Energy: 1.8451311568323308
Energy: 1.8447326587755304
Energy: 1.8451311568333937
Energy: 2.089731439082467
Energy: 1.8925272765034606
Energy: 1.8416469117199976
Energy: 1.8925272765045238
Energy: 1.9463403552555756
Energy: 2.0040226156540313
Energy: 1.9480747993870648
Energy: 2.0040226156540313
Energy: 1.9465469379033853
Energy: 1.8938020821519685
Energy: 1.9044456637660347
Energy: 1.8938020821519685
Energy: 2.256029921926865
Energy: 1.9126885131823548
Energy: 1.9458569621819604
Energy: 1.9126885130846174
Energy: 2.092911530785377
Energy: 2.0181595623135515
Energy: 13.783368733509766
Energy: 2.0181595623135515
Energy: 2.098120082715846
Energy: 1.9782518961552933
Energy: 1.9469285711004132
Energy: 1.9782518961552933
Energy: 2.1108506065963466
Energy: 1.8965596177612172
Energy: 1.8868133665205304
Energy: 1.8965596177654689
Energy: 1.9460739409640972
Energy: 1.8461758785155167
Energy: 1.8874905741736403
Energy: 1.8461758785144537
Energy: 2.0914600245696366
Energy: 1.8890761429742893
Energy: 2.3153681196636318
Energy: 1.8890761429742893
Energy: 13.150421672388479
Energy: 1.8460415218251578
Energy: 1.847085624493529
Energy: 1.846041521823032
Energy: 2.3074346831581813
Energy: 1.997813320482629
Energy: 2.306898856404083
Energy: 1.997813320482629
Energy: 1.8469700500878619
Energy: 1.8456438870693628
Energy: 13.059047899266487
Energy: 1.8456438870693628

minimum gb energy = 1.8410430308427599 eV
minimum distance =  2.43200817829576 Angstroms
sigma value = 29


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

Energy: 1.793597306706151
Energy: 2.093886931499283
Energy: 18.915236955580987
Energy: 2.093886931498954
Energy: 2.184246189040609
Energy: 1.8401286827095813
Energy: 1.8552322421319696
Energy: 1.840128682709952
Energy: 2.2671263768015715
Energy: 1.8144468287650004
Energy: 1.8139802517734402
Energy: 1.8144468287653708
Energy: 2.4062200839402474
Energy: 1.8541449887489183
Energy: 1.8113440345717684
Energy: 1.8541449887485482
Energy: 2.5618514333456917
Energy: 1.8139069520580373
Energy: 1.8101437267752096
Energy: 1.8139069520533477
Energy: 2.2968656926911892
Energy: 1.8112618435351029
Energy: 1.8102675195138462
Energy: 1.8112618435351029
Energy: 1.9789165978323686
Energy: 1.8101553575802762
Energy: 2.1310441780873663
Energy: 1.8101553575810168
Energy: 1.7931141021600496
Energy: 1.8144970968372227
Energy: 18.940874115000646
Energy: 1.8144970968368526
Energy: 2.339576735851457
Energy: 2.0135543441191746
Energy: 2.003334858714086
Energy: 2.0135543441249752

minimum gb energy = 1.7931141021600496 eV
minimum distance =  2.47410199809245 Angstroms
sigma value = 5


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

Energy: 2.136096950111799
Energy: 1.993455705444503
Energy: 12.968326896799187
Energy: 1.9934557054455073
Energy: 2.289135373900009
Energy: 1.9580413251764888
Energy: 2.0092662081309705
Energy: 1.9580413251784967
Energy: 2.060538034770526
Energy: 1.9817144913422446
Energy: 1.9711524179842572
Energy: 1.9817144913432487
Energy: 2.054088695901554
Energy: 2.121487785081227
Energy: 2.0992099609994703
Energy: 2.121487785081227
Energy: 1.9684138344304285
Energy: 1.9709950226628212
Energy: 1.939519862377136
Energy: 1.9709950226628212
Energy: 2.1947169114641056
Energy: 1.9791174581269224
Energy: 1.9461594254621555
Energy: 1.9791174581299344
Energy: 2.0424308516471323
Energy: 1.9739484952618251
Energy: 2.18664351384155
Energy: 1.973948495260821
Energy: 2.0463415984553706
Energy: 1.9720007844720446
Energy: 2.3508484121960955
Energy: 1.9720007844720446
Energy: 2.44108288157747
Energy: 1.9763304938883755
Energy: 2.054126257127562
Energy: 1.9763304938883755
Energy: 7.697373931063413
Energy: 1.9732285384230577
Energy: 2.0582093744072942
Energy: 1.9732285384230577
Energy: 1.9468824239533673
Energy: 1.9489628333926683
Energy: 2.2617503829553436
Energy: 1.9489628333906603
Energy: 1.9482001614728102
Energy: 1.9489964795043022
Energy: 2.005738549097208
Energy: 1.9489964795043022
Energy: 2.1530421580132066
Energy: 2.2365118338899874
Energy: 2.0047009333181554
Energy: 2.2365118338899874
Energy: 1.945643816065968
Energy: 1.9571941980230185
Energy: 1.9946168581091341
Energy: 1.9571941980230185
Energy: 1.9703484340089792
Energy: 2.2146698817853303
Energy: 2.185325893637097
Energy: 2.2146698817873385
Energy: 7.811867012317753
Energy: 1.9713670084738237
Energy: 2.1389531663265413
Energy: 1.9713670084718158
Energy: 2.2872734400249124
Energy: 1.936710884277344
Energy: 2.2257120975479623
Energy: 1.936710884277344
Energy: 1.9851716396391537
Energy: 1.9700030142793936
Energy: 7.531799050025006
Energy: 1.9700030142773859
Energy: 2.079914062511629
Energy: 1.9625466565595273
Energy: 2.0468920422895196
Energy: 1.9625466565605312
Energy: 1.9717339291536726
Energy: 1.9500175032421285
Energy: 1.9616867657825898
Energy: 1.9500175032421285
Energy: 1.9694952844751643
Energy: 1.9968380058435833
Energy: 2.1403845962360135
Energy: 1.9968380058425792
Energy: 2.1367047978610425
Energy: 1.9703959605534158
Energy: 1.9413074882719525
Energy: 1.9703959605514076
Energy: 2.055818535749023
Energy: 1.9764303144273931
Energy: 1.9429699696196396
Energy: 1.9764303144273931
Energy: 2.2111126710291322
Energy: 1.9907170306772588
Energy: 8.179289306715555
Energy: 1.9907170306772588
Energy: 2.2391055048497646
Energy: 1.9818149088382244
Energy: 8.246602392536083
Energy: 1.9818149088382244
Energy: 2.16030017804998
Energy: 2.000312524285926
Energy: 1.9417917925763055
Energy: 2.00031252428693
Energy: 2.0445362163820375
Energy: 1.9763041101479004
Energy: 1.9428907708007248
Energy: 1.9763041101468963
Energy: 2.0116117690177697
Energy: 2.1105581691453277
Energy: 2.212807887930069
Energy: 2.1105581691453277
Energy: 1.9770997357959765
Energy: 1.9754202793669862
Energy: 1.9552230561275998
Energy: 1.975420279365982
Energy: 2.1510289920281203
Energy: 2.2662458801669785
Energy: 2.0333508194461567
Energy: 2.2662458801669785
Energy: 2.0421976525747767
Energy: 1.9718448366482306
Energy: 7.400655794994413
Energy: 1.9718448366472268
Energy: 2.0987125440176873
Energy: 1.943993594153304
Energy: 2.24871418391875
Energy: 1.943993594154308
Energy: 7.944744671541128
Energy: 1.9713814926314663
Energy: 2.054839146905185
Energy: 1.9713814926294584

minimum gb energy = 1.936710884277344 eV
minimum distance =  2.45212518304765 Angstroms
sigma value = 1


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

Energy: 1.9318707883794428
Energy: 1.8466660942021311
Energy: 15.59353184292513
Energy: 1.8466660942021311
Energy: 1.9788596159573661
Energy: 1.9579742207051285
Energy: 1.9524213281944307
Energy: 1.9579742207051285
Energy: 2.2123228016505734
Energy: 1.8755990052818285
Energy: 1.9778581566547895
Energy: 1.8755990052818285
Energy: 1.952715939722106
Energy: 1.8774724246296544
Energy: 1.998885382907737
Energy: 1.877472424628266
Energy: 1.939582761371636
Energy: 1.8855790041810347
Energy: 1.9258488432326506
Energy: 1.8855790041810347
Energy: 1.933870673250091
Energy: 2.114883836999948
Energy: 1.9258378155559641
Energy: 2.114883836999948
Energy: 1.926915766586472
Energy: 1.8753027510011129
Energy: 2.2208595092206673
Energy: 1.8753027510011129
Energy: 1.9270000852618006
Energy: 1.9045921414371454
Energy: 2.2150167779158823
Energy: 1.9045921414371454
Energy: 15.669692072456966
Energy: 1.8816026991038828
Energy: 1.8943217157075811
Energy: 1.8816026991038828
Energy: 15.636527568412799
Energy: 1.8817227959711085
Energy: 1.8943409661260502
Energy: 1.8817227959711085
Energy: 1.9268845432857733
Energy: 1.904772724607308
Energy: 2.2150167779144945
Energy: 1.9047727246086963
Energy: 1.9268323404079633
Energy: 1.8753231077636716
Energy: 2.220859509219279
Energy: 1.8753231077622834
Energy: 1.9339525685578274
Energy: 2.115034583153121
Energy: 1.9259156295389293
Energy: 2.115034583153121
Energy: 1.9395633695381893
Energy: 1.845995792823048
Energy: 1.9260300204894854
Energy: 1.845995792823048
Energy: 1.9528831867386263
Energy: 1.8775032888424135
Energy: 1.9988423858536333
Energy: 1.8775032888424135
Energy: 2.2123228016505734
Energy: 1.8756062992363745
Energy: 1.9775755988353465
Energy: 1.8756062992363745
Energy: 1.9786924167900852
Energy: 1.957456547040024
Energy: 1.9524498375629673
Energy: 1.957456547040024
Energy: 1.9318707883780546
Energy: 1.8466660942021311
Energy: 15.558228097435657
Energy: 1.8466660942021311
Energy: 1.9788596159573661
Energy: 1.9579742207051285
Energy: 1.9524213281944307
Energy: 1.9579742207037403
Energy: 2.2123228016519616
Energy: 1.8755990052818285
Energy: 1.9778581566547895
Energy: 1.8755990052818285
Energy: 1.9527159397207174
Energy: 1.8774724246296544
Energy: 1.998885382906349
Energy: 1.877472424628266
Energy: 1.939582761371636
Energy: 1.8855790041810347
Energy: 1.9258488432326506
Energy: 1.8855790041810347
Energy: 1.933870673250091
Energy: 2.114883836999948
Energy: 1.925837815554576
Energy: 2.114883836999948
Energy: 1.926915766586472
Energy: 1.8753027510011129
Energy: 2.2208595092206673
Energy: 1.8753027510011129

minimum gb energy = 1.845995792823048 eV
minimum distance =  2.46639068926939 Angstroms
sigma value = 17


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

Energy: 2.1840639539643303
Energy: 1.9431571364137998
Energy: 11.361025494613259
Energy: 1.9431571364112254
Energy: 2.2164353158930434
Energy: 2.137563134848808
Energy: 2.0927890632714887
Energy: 2.137563134848808
Energy: 6.701084584203993
Energy: 1.8792478963308663
Energy: 1.9345163119797053
Energy: 1.879247896331724
Energy: 1.9408358315554923
Energy: 2.1801882942928006
Energy: 2.0703451495254392
Energy: 2.180188294291942
Energy: 1.9427582060181727
Energy: 1.865238578307755
Energy: 1.9205474073870707
Energy: 1.865238578307755
Energy: 2.081301486146773
Energy: 2.0078052323466684
Energy: 1.924134380355316
Energy: 2.0078052323492424
Energy: 1.9042550843969022
Energy: 1.8721918599886256
Energy: 1.9539222947515904
Energy: 1.8721918599903418
Energy: 1.9057512435644228
Energy: 1.8708769263040679
Energy: 2.087223141203429
Energy: 1.8708769263040679
Energy: 6.972183948965205
Energy: 1.8790479702621883
Energy: 2.136814833811186
Energy: 1.8790479702621883
Energy: 6.874144510592837
Energy: 1.8852311835246816
Energy: 2.135341193174818
Energy: 1.8852311835255395
Energy: 1.9981563552744912
Energy: 1.8791658907925441
Energy: 2.088220230377188
Energy: 1.8791658907908277
Energy: 1.9973139536739244
Energy: 1.8797644272427285
Energy: 2.020154202548981
Energy: 1.8797644272435865
Energy: 2.124422899799893
Energy: 1.890049334298885
Energy: 1.9115930940282326
Energy: 1.890049334300601
Energy: 1.94139530485077
Energy: 1.865420903353075
Energy: 1.9123635151177243
Energy: 1.8654209033539333
Energy: 1.9371541037524458
Energy: 1.903059771823145
Energy: 2.01224673305512
Energy: 1.903059771821429
Energy: 1.9400430573565686
Energy: 1.8712725453404668
Energy: 1.9095646150265353
Energy: 1.8712725453421826
Energy: 2.1090878806585507
Energy: 1.8974172666978861
Energy: 2.0290301881099886
Energy: 1.8974172667013183
Energy: 2.006519914870036
Energy: 1.8878378987963012
Energy: 6.732986132557926
Energy: 1.8878378987971594
Energy: 2.0313508809428065
Energy: 1.9646001343765573
Energy: 2.1330964778813173
Energy: 1.9646001343756996
Energy: 11.161271484755986
Energy: 1.9208527642493063
Energy: 2.0269396549286736
Energy: 1.9208527642493063
Energy: 2.080174028320788
Energy: 2.189102922580072
Energy: 2.1918976296255503
Energy: 2.1891029225809304
Energy: 1.9297260074529792
Energy: 1.865244905322853
Energy: 1.970596019624473
Energy: 1.865244905322853
Energy: 2.0539809562332416
Energy: 2.114704419771115
Energy: 1.9817734581509254
Energy: 2.1147044197693985
Energy: 1.8990945938714838
Energy: 1.8730537624041648
Energy: 1.9140940257780827
Energy: 1.8730537624041648
Energy: 1.9072496484145984
Energy: 1.9693205905180586
Energy: 2.1466821018428917
Energy: 1.9693205905146267
Energy: 1.9966507791509753
Energy: 1.8708980931410757
Energy: 1.9127272673358204
Energy: 1.8708980931393597
Energy: 2.064951308609556
Energy: 1.865702994110773
Energy: 1.9921344755000496
Energy: 1.8657029941099148
Energy: 2.1536292322288895
Energy: 1.8861972522862869
Energy: 11.28088443293902
Energy: 1.886197252287145
Energy: 2.1498779205873824
Energy: 1.8929121912871443
Energy: 6.927181218510411
Energy: 1.8929121912888607
Energy: 2.1566047165829585
Energy: 1.8708146511768704
Energy: 1.9127857722670256
Energy: 1.8708146511794446
Energy: 2.047494036931076
Energy: 1.8664690870465208
Energy: 1.991813674150368
Energy: 1.8664690870482368
Energy: 1.8988671507072603
Energy: 1.9002684271725538
Energy: 2.0041466833477615
Energy: 1.9002684271674055
Energy: 1.9062472003492774
Energy: 1.8728694120747797
Energy: 1.9099438609537627
Energy: 1.8728694120747797
Energy: 2.0367972862433175
Energy: 1.8804798185786769
Energy: 1.9672812059675377
Energy: 1.880479818577819
Energy: 1.9177180763413681
Energy: 1.8675848657927212
Energy: 1.9848931818335125
Energy: 1.8675848657944376
Energy: 2.094863361215334
Energy: 1.8880410419509102
Energy: 2.1078087480262235
Energy: 1.8880410419517684
Energy: 6.445571094981742
Energy: 1.8776456021533083
Energy: 2.033824953435372
Energy: 1.8776456021507342
Energy: 2.1006905711002295
Energy: 1.9656525542535848
Energy: 2.1165936339561164
Energy: 1.9656525542518684

minimum gb energy = 1.865238578307755 eV
minimum distance =  2.46223676783203 Angstroms
sigma value = 89


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

Energy: 2.020081064116738
Energy: 1.7571493067417363
Energy: 13.067978953862493
Energy: 1.7571493067417363
Energy: 1.9055087209833907
Energy: 2.00252512715308
Energy: 1.9369075765105943
Energy: 2.00252512715308
Energy: 13.214250985471898
Energy: 1.7345100587199658
Energy: 1.7915452141140467
Energy: 1.7345100587199658
Energy: 1.8357647040255294
Energy: 1.7652595182541317
Energy: 2.0145245868519246
Energy: 1.7652595182541317
Energy: 1.8316482571288075
Energy: 1.7653761666948466
Energy: 1.8816199593545122
Energy: 1.7653761666948466
Energy: 1.9314292798958683
Energy: 2.141791753934005
Energy: 1.880783264217377
Energy: 2.1417917539295144
Energy: 1.8017415793569227
Energy: 1.735552407426875
Energy: 1.8825760319933982
Energy: 1.735552407426875
Energy: 1.801742176786483
Energy: 1.7903955664715023
Energy: 2.2405370525316335
Energy: 1.7903955664737472
Energy: 2.1087851024350086
Energy: 1.766021940582726
Energy: 1.768362709346987
Energy: 1.7660219405849709
Energy: 2.047595913934962
Energy: 1.7665172548550199
Energy: 1.7687505309570415
Energy: 1.7665172548550199
Energy: 1.9710513841913209
Energy: 1.735298939029445
Energy: 13.171334366621979
Energy: 1.7352989390272
Energy: 1.9663544495773253
Energy: 1.735275754341046
Energy: 13.206913203729814
Energy: 1.735275754341046
Energy: 13.435461994958132
Energy: 1.7659947864620216
Energy: 1.7684625569885795
Energy: 1.7659947864642662
Energy: 2.111256994131462
Energy: 1.7656050111960617
Energy: 1.769172326697938
Energy: 1.7656050111960617
Energy: 1.8028481295370373
Energy: 1.7655516896801182
Energy: 2.071524943059752
Energy: 1.7655516896801182

minimum gb energy = 1.7345100587199658 eV
minimum distance =  2.47052912786172 Angstroms
sigma value = 13


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

Energy: 1.8420798883992886
Energy: 1.69431768885751
Energy: 11.744715011473629
Energy: 1.694317688858451
Energy: 1.8582866511561786
Energy: 1.680625786213655
Energy: 1.8668286981802222
Energy: 1.6806257862145961
Energy: 11.832227617224374
Energy: 1.61944912220543
Energy: 1.7906226104026208
Energy: 1.6194491222044889
Energy: 1.8480840689608362
Energy: 1.7862207505419558
Energy: 1.8666877644626245
Energy: 1.7862207505410148
Energy: 1.7647095035852327
Energy: 1.6350930083850166
Energy: 1.8363289632875384
Energy: 1.6350930083850166
Energy: 1.8667514176977078
Energy: 1.6363451492352512
Energy: 1.8043962828009463
Energy: 1.6363451492352512
Energy: 1.7801508695998154
Energy: 1.6214389973591339
Energy: 1.7908041757493014
Energy: 1.6214389973591339
Energy: 1.765117563506856
Energy: 1.8496984614691123
Energy: 1.904752806862491
Energy: 1.8496984614691123
Energy: 1.8245490952426398
Energy: 1.6365910505623176
Energy: 1.7560117138563218
Energy: 1.6365910505632586
Energy: 1.9850558967072989
Energy: 1.6381509301184298
Energy: 1.787480493690157
Energy: 1.6381509301184298
Energy: 1.7624704930171753
Energy: 1.6220858565512937
Energy: 11.948796270623959
Energy: 1.6220858565522345
Energy: 1.7648935358529785
Energy: 1.6216341524937548
Energy: 2.0386423746640534
Energy: 1.6216341524937548
Energy: 12.074162585474836
Energy: 1.679521652429509
Energy: 1.814477676115229
Energy: 1.679521652429509
Energy: 1.8757364612277787
Energy: 1.6799642614212118
Energy: 1.9591943991151428
Energy: 1.6799642614212118
Energy: 1.7625131187738496
Energy: 1.6220299459837388
Energy: 12.073399722731535
Energy: 1.6220299459837388
Energy: 1.765205159569617
Energy: 1.62119909109152
Energy: 1.9485965148436655
Energy: 1.62119909109152
Energy: 1.8626342118129045
Energy: 1.6381953583010052
Energy: 1.7561945663337968
Energy: 1.6381953583010052
Energy: 1.8381906828924508
Energy: 1.6357868797128021
Energy: 1.7854360367003248
Energy: 1.635786879711861
Energy: 1.7663718667563224
Energy: 1.622329398366426
Energy: 1.7653798271168761
Energy: 1.622329398366426
Energy: 1.7657882692829618
Energy: 1.6229054774947238
Energy: 1.7664405752570516
Energy: 1.6229054774947238
Energy: 1.7858228256567599
Energy: 1.6359287250042862
Energy: 1.8379791052113088
Energy: 1.6359287250033452
Energy: 1.7561888354970676
Energy: 1.6381893101037432
Energy: 1.862634211816668
Energy: 1.6381893101037432
Energy: 1.9485965148455475
Energy: 1.6215341753808032
Energy: 1.7647968740159645
Energy: 1.621534175381744
Energy: 12.318392981984431
Energy: 1.6220013035338081
Energy: 1.7625543797939112
Energy: 1.6220013035338081
Energy: 1.9598504000774195
Energy: 1.6799631436882128
Energy: 1.8757644643054858
Energy: 1.6799631436891538
Energy: 1.8145402561744182
Energy: 1.6792995103576713
Energy: 12.23999338240613
Energy: 1.6792995103567303
Energy: 2.0386634860118744
Energy: 1.6216097463877572
Energy: 1.7648805643930148
Energy: 1.6216097463868164
Energy: 11.95498978744962
Energy: 1.6219576295432527
Energy: 1.7623231917430275
Energy: 1.6219576295432527
Energy: 1.7874945673429132
Energy: 1.637557196462641
Energy: 1.9848912204663605
Energy: 1.637557196462641
Energy: 1.7556948263212941
Energy: 1.6373491820787345
Energy: 1.8245486942338713
Energy: 1.6373491820796755
Energy: 1.905047046752117
Energy: 1.8499726129216831
Energy: 1.7651267161387736
Energy: 1.8499726129226242
Energy: 1.7922812164182413
Energy: 1.621403871466199
Energy: 1.7801110057982166
Energy: 1.6214038714671397
Energy: 1.8049979611073768
Energy: 1.6364928467418989
Energy: 1.866768230007485
Energy: 1.6364928467409579
Energy: 1.8367405731729491
Energy: 1.635599570948097
Energy: 1.7646105187400267
Energy: 1.635599570949038
Energy: 1.866714957706647
Energy: 1.7857902612287166
Energy: 1.8486110356059016
Energy: 1.7857902612277754

minimum gb energy = 1.6194491222044889 eV
minimum distance =  2.45116507695278 Angstroms
sigma value = 37


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

Energy: 1.8713287469375386
Energy: 1.5914048736137747
Energy: 10.02949452946399
Energy: 1.5914048736137747
Energy: 1.9573423713164084
Energy: 1.621530769942508
Energy: 1.772985290416246
Energy: 1.621530769942508
Energy: 10.155136159128201
Energy: 1.5212675622913339
Energy: 1.7710549917042084
Energy: 1.521267562292953
Energy: 1.812975949071504
Energy: 1.7222307256990328
Energy: 1.7723717903448828
Energy: 1.7222307256990328
Energy: 1.6903526530005573
Energy: 1.5129174279511697
Energy: 1.8512608254581737
Energy: 1.5129174279511697
Energy: 1.8131647073624908
Energy: 1.5441942392968369
Energy: 1.7798526794942366
Energy: 1.5441942392968369
Energy: 1.716052201247178
Energy: 1.5211275497483707
Energy: 1.6878089059614363
Energy: 1.5211275497467516
Energy: 1.7920001410844486
Energy: 1.654767291286698
Energy: 1.7713199371467556
Energy: 1.654767291286698
Energy: 1.7192058927155234
Energy: 1.513437920870962
Energy: 1.6779456187283865
Energy: 1.5134379208725812
Energy: 1.8083679349911195
Energy: 1.5419334354641256
Energy: 1.677278243162058
Energy: 1.541933435462507
Energy: 1.6466471552004691
Energy: 1.5207387480027694
Energy: 1.7984883306338004
Energy: 1.5207387480027694
Energy: 1.660904395240218
Energy: 1.5416526636827599
Energy: 1.9526081205722867
Energy: 1.5416526636827599
Energy: 10.00225138966571
Energy: 1.5127342964602148
Energy: 1.7501248153078603
Energy: 1.512734296461834
Energy: 1.7820730817600465
Energy: 1.5144497158313703
Energy: 1.7833698877285349
Energy: 1.5144497158297512
Energy: 1.8047053583605865
Energy: 1.5835529153922012
Energy: 10.133655878229442
Energy: 1.5835529153922012
Energy: 1.822116192768557
Energy: 1.6088580698462602
Energy: 1.8138309493265443
Energy: 1.6088580698462602
Energy: 10.300595272811778
Energy: 1.5128361209478878
Energy: 1.7495613183164505
Energy: 1.5128361209478878
Energy: 1.7741604119452012
Energy: 1.5145382243220868
Energy: 1.7834643147775975
Energy: 1.5145382243220868
Energy: 1.6472447504120262
Energy: 1.519923552716439
Energy: 1.8505992313588215
Energy: 1.519923552716439
Energy: 1.6454773628227328
Energy: 1.5428063214091234
Energy: 1.868410566212424
Energy: 1.5428063214091234

minimum gb energy = 1.5127342964602148 eV
minimum distance =  2.49379726424345 Angstroms
sigma value = 25


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

Energy: 1.7777611070167203
Energy: 1.4462473465036798
Energy: 14.479387861878141
Energy: 1.446247346502416
Energy: 1.7274381226313291
Energy: 1.5951579081252705
Energy: 1.7098612177250405
Energy: 1.5951579081252705
Energy: 8.553379492344515
Energy: 1.3869919160270794
Energy: 1.7138929273041525
Energy: 1.3869919160258155
Energy: 1.612378608265355
Energy: 1.4087540939367955
Energy: 1.7037857984920757
Energy: 1.4087540939355316
Energy: 1.6330176787055009
Energy: 1.3545109166106246
Energy: 8.367180624695132
Energy: 1.3545109166093603
Energy: 1.6118552677985667
Energy: 1.3820069029761437
Energy: 1.636390148682942
Energy: 1.3820069029761437
Energy: 1.5957391423888616
Energy: 1.3525058528540743
Energy: 1.610184460983901
Energy: 1.3525058528540743
Energy: 1.6275087956664802
Energy: 1.364056202646362
Energy: 1.6624965231268343
Energy: 1.3640562026476262
Energy: 1.561990859276667
Energy: 1.3551962397008086
Energy: 1.581118468209522
Energy: 1.3551962396995443
Energy: 1.6422170656951058
Energy: 1.4246135787152316
Energy: 1.6087793490238078
Energy: 1.4246135787152316
Energy: 1.5607541233092277
Energy: 1.3518674783741107
Energy: 1.5824610233207486
Energy: 1.3518674783741107
Energy: 1.5748065747148825
Energy: 1.3645364078085012
Energy: 1.6593337732299953
Energy: 1.364536407807237
Energy: 1.595052224767779
Energy: 1.3538472285144127
Energy: 1.5563681787571435
Energy: 1.3538472285131482
Energy: 1.737628393721473
Energy: 1.3675297831610382
Energy: 1.547017110581559
Energy: 1.3675297831610382
Energy: 1.5820451003499891
Energy: 1.3515128196196304
Energy: 1.664784591383448
Energy: 1.3515128196196304
Energy: 1.6117681486055961
Energy: 1.3537580893286472
Energy: 1.7033267699951093
Energy: 1.3537580893299113
Energy: 8.533598252949524
Energy: 1.3843648940290532
Energy: 1.6430630776544795
Energy: 1.384364894027789
Energy: 1.6646881704699428
Energy: 1.4746058668169053
Energy: 1.6338764982729523
Energy: 1.4746058668169053
Energy: 1.7109015070044553
Energy: 1.4389784350861679
Energy: 7.771397406936635
Energy: 1.4389784350861679
Energy: 1.724373269906439
Energy: 1.4439832247971485
Energy: 1.70429455992886
Energy: 1.4439832247971485
Energy: 8.542159141585108
Energy: 1.3842524836895655
Energy: 1.643517431136978
Energy: 1.3842524836895655
Energy: 1.7296144909485924
Energy: 1.4137541625374612
Energy: 1.6334466541535013
Energy: 1.4137541625387255
Energy: 1.5823742982394482
Energy: 1.3514368176519271
Energy: 8.624969409631799
Energy: 1.351436817650663
Energy: 1.644238960967424
Energy: 1.3525198935022267
Energy: 1.631405387912107
Energy: 1.3525198935022267
Energy: 1.5923149151254157
Energy: 1.3539363951967098
Energy: 1.5566449582533153
Energy: 1.3539363951967098
Energy: 1.6636312230667547
Energy: 1.3660141757134574
Energy: 1.6083377943157822
Energy: 1.366014175712193

minimum gb energy = 1.351436817650663 eV
minimum distance =  2.50171750159752 Angstroms
sigma value = 41


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

Energy: 1.741959682750618
Energy: 1.3306953469500278
Energy: 12.796490273568246
Energy: 1.3306953469489913
Energy: 1.594073426529992
Energy: 1.3608559147314288
Energy: 1.5697661590986627
Energy: 1.3608559147324655
Energy: 7.365273595442684
Energy: 1.2896867972149861
Energy: 1.6405126017019274
Energy: 1.2896867972139496
Energy: 1.5601516948936591
Energy: 1.523847139463207
Energy: 1.569616404748929
Energy: 1.5238471394642432
Energy: 1.6059615889284777
Energy: 1.2464620192187024
Energy: 7.2864495456256515
Energy: 1.246462019219739
Energy: 1.559715801320684
Energy: 1.2723728107128747
Energy: 1.5069677557801242
Energy: 1.2723728107128747
Energy: 1.5096905584633475
Energy: 1.228757927158904
Energy: 1.5348943044107908
Energy: 1.2287579271599405
Energy: 1.5222694528983225
Energy: 1.274497322510431
Energy: 1.5065140140825493
Energy: 1.2744973225093947
Energy: 1.5245559772932709
Energy: 1.228036491716126
Energy: 1.47246551625878
Energy: 1.228036491716126
Energy: 1.5565669618903328
Energy: 1.3088219136376666
Energy: 1.5226309903536743
Energy: 1.3088219136387031
Energy: 1.4782167749329356
Energy: 1.2290555773598333
Energy: 1.4716291193134377
Energy: 1.2290555773598333
Energy: 1.5006851776178691
Energy: 1.2740250362427816
Energy: 1.5461195698673378
Energy: 1.274025036243818
Energy: 1.4854445801645755
Energy: 1.2285027284390382
Energy: 1.4645463559910867
Energy: 1.2285027284400747
Energy: 1.5569883280403771
Energy: 1.239252791677624
Energy: 1.5172095395201897
Energy: 1.239252791677624
Energy: 1.5115392499298266
Energy: 1.2293271593637047
Energy: 1.4700660003679675
Energy: 1.229327159362668
Energy: 1.5024075697321448
Energy: 1.2381253262941356
Energy: 1.6104169827889068
Energy: 1.2381253262941356
Energy: 1.5091673661995126
Energy: 1.2286460976363924
Energy: 1.5220910840984045
Energy: 1.2286460976363924
Energy: 1.5547520185958623
Energy: 1.2289828655697392
Energy: 1.514758962569025
Energy: 1.2289828655697392
Energy: 1.5374296702126127
Energy: 1.2462422341804802
Energy: 7.411294985595027
Energy: 1.2462422341804802
Energy: 1.5248240279686105
Energy: 1.416557711741115
Energy: 1.6558091827649044
Energy: 1.4165577117390422
Energy: 7.4627145598841516
Energy: 1.2838461124535094
Energy: 1.5738412151763752
Energy: 1.2838461124514369
Energy: 1.6647388504267508
Energy: 1.3385794286455301
Energy: 1.5652649047840148
Energy: 1.3385794286444939
Energy: 1.6587606991885795
Energy: 1.3257410797768094
Energy: 11.139314974138635
Energy: 1.3257410797778457
Energy: 1.5999634928586108
Energy: 1.350387827800509
Energy: 1.656099883472055
Energy: 1.3503878277995196
Energy: 7.375125804602275
Energy: 1.2835368353857184
Energy: 1.573811255710167
Energy: 1.2835368353836458
Energy: 1.5556129028853025
Energy: 1.2837327954110425
Energy: 1.5650881565443961
Energy: 1.2837327954100057
Energy: 1.5375624794119223
Energy: 1.2462989627478709
Energy: 6.420792511522921
Energy: 1.2462989627478709
Energy: 1.524504033707767
Energy: 1.2661176056034458
Energy: 1.570684855503201
Energy: 1.2661176056044823
Energy: 1.5066902304094425
Energy: 1.2286411340067906
Energy: 1.5219132304852587
Energy: 1.2286411340078274
Energy: 1.5246353932462797
Energy: 1.2286440564641974
Energy: 1.5137209947533319
Energy: 1.2286440564652337
Energy: 1.5112608121506368
Energy: 1.2292787509791427
Energy: 1.469641592820441
Energy: 1.2292787509781062
Energy: 1.50531204789866
Energy: 1.2364835739234077
Energy: 1.542286767083309
Energy: 1.2364835739213351

minimum gb energy = 1.228036491716126 eV
minimum distance =  2.51452567205541 Angstroms
sigma value = 15


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

Energy: 1.650741288595913
Energy: 1.2391945214103917
Energy: 10.921568771271328
Energy: 1.2391945214095135
Energy: 1.5498558081488718
Energy: 1.2851950954269196
Energy: 1.5306353204952177
Energy: 1.2851950954269196
Energy: 11.041271855267741
Energy: 1.1954896481901676
Energy: 1.5827931165939881
Energy: 1.1954896481910458
Energy: 1.466958687853245
Energy: 1.2206846675175458
Energy: 1.530351908241975
Energy: 1.220684667514912
Energy: 1.5479758025992012
Energy: 1.1701185088850767
Energy: 6.578937099361822
Energy: 1.1701185088877106
Energy: 1.4662090340599727
Energy: 1.2046335291708454
Energy: 1.461706715089278
Energy: 1.2046335291726014
Energy: 6.602926162361841
Energy: 1.1422817034782908
Energy: 1.4785014690743736
Energy: 1.1422817034774126
Energy: 1.4297533571970624
Energy: 1.1857542717883909
Energy: 1.4611110794556166
Energy: 1.185754271787513
Energy: 1.4565421258757452
Energy: 1.132323609965614
Energy: 1.384276849364285
Energy: 1.13232360996298
Energy: 1.4296702278029874
Energy: 1.1645036977287955
Energy: 1.4558769810079393
Energy: 1.1645036977279177
Energy: 1.3779006619043428
Energy: 1.13233431916819
Energy: 1.407120770329128
Energy: 1.1323343191708244
Energy: 1.4402333272333712
Energy: 1.1862447744246778
Energy: 1.505169392119507
Energy: 1.1862447744273117
Energy: 1.4013930859141204
Energy: 1.1324124823665878
Energy: 1.369234607929711
Energy: 1.1324124823657098
Energy: 1.4782712194153433
Energy: 1.1603889439953436
Energy: 1.4224580144598455
Energy: 1.1603889439944657
Energy: 1.3920067100699927
Energy: 1.1323836974885635
Energy: 1.3723906545209636
Energy: 1.1323836974903194
Energy: 1.435426045093566
Energy: 1.1598692539338462
Energy: 1.481355135829188
Energy: 1.1598692539347244
Energy: 1.381386740635313
Energy: 1.1325803966683148
Energy: 1.3974396580697348
Energy: 1.1325803966683148
Energy: 1.5135054425856587
Energy: 1.1396198167234033
Energy: 1.4257275591935088
Energy: 1.1396198167225253
Energy: 1.445274327974117
Energy: 1.1322554085715455
Energy: 1.3833753024763344
Energy: 1.1322554085724237
Energy: 1.4475827229982314
Energy: 1.164537330776654
Energy: 1.457047801181983
Energy: 1.16453733077841
Energy: 1.408311668408042
Energy: 1.1426278940696133
Energy: 1.4657410414131822
Energy: 1.1426278940722472
Energy: 1.5160188434867892
Energy: 1.305295416104663
Energy: 1.4406874895377628
Energy: 1.3052954161055412
Energy: 1.4800052746348464
Energy: 1.1694246724368678
Energy: 6.366457440765326
Energy: 1.1694246724368678
Energy: 1.4750491064330018
Energy: 1.3631421021202998
Energy: 1.521680670079177
Energy: 1.3631421021220558
Energy: 9.026008462139519
Energy: 1.194766268541252
Energy: 1.516774817017147
Energy: 1.194766268541252
Energy: 1.4940588273153916
Energy: 1.2667175446502583
Energy: 1.4973927675781447
Energy: 1.2667175446502583
Energy: 1.573245225691904
Energy: 1.2360155852795083
Energy: 10.979525603919067
Energy: 1.2360155852777523
Energy: 1.5382928005279843
Energy: 1.2816751919673317
Energy: 1.5211780062428142
Energy: 1.2816751919673317
Energy: 10.701034815016678
Energy: 1.1945636531088233
Energy: 1.5166745662978687
Energy: 1.1945636531088233
Energy: 1.5166789937383192
Energy: 1.218868095523872
Energy: 1.4977308582479623
Energy: 1.218868095521238
Energy: 1.4802452185437531
Energy: 1.169013343774888
Energy: 6.547708258234825
Energy: 1.169013343773132
Energy: 1.4761033201200993
Energy: 1.2083110766068437
Energy: 1.4578052878988776
Energy: 1.2083110766068437
Energy: 6.87647466687958
Energy: 1.1427719839362784
Energy: 1.4660531991644545
Energy: 1.1427719839336448
Energy: 1.4681417040784914
Energy: 1.157958279440868
Energy: 1.4411192038800225
Energy: 1.1579582794417462
Energy: 1.4452801638353279
Energy: 1.132214609522558
Energy: 1.3977732219386731
Energy: 1.132214609523436
Energy: 1.435754024424458
Energy: 1.163133262516029
Energy: 1.4409169960063861
Energy: 1.163133262516029
Energy: 1.383845797733805
Energy: 1.1327599386357794
Energy: 1.3981443327242769
Energy: 1.1327599386357794

minimum gb energy = 1.132214609522558 eV
minimum distance =  2.52340629946359 Angstroms
sigma value = 85


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

Energy: 1.6628065466901454
Energy: 1.1768011293745373
Energy: 9.55845551028255
Energy: 1.176801129375299
Energy: 1.3810289844567345
Energy: 1.2851954241923194
Energy: 1.4320719561821744
Energy: 1.2851954241923194
Energy: 9.370579805838696
Energy: 1.1463992937385679
Energy: 1.6018383157646945
Energy: 1.1463992937370446
Energy: 1.406214618710991
Energy: 1.138817812661129
Energy: 1.4318446545754417
Energy: 1.1388178126603674
Energy: 1.5218841439766313
Energy: 1.094579598671789
Energy: 5.7566019349949
Energy: 1.0945795986725504
Energy: 1.4056037184662327
Energy: 1.1080385788988707
Energy: 1.373292824554006
Energy: 1.1080385788996319
Energy: 5.665757181368809
Energy: 1.0791287915987824
Energy: 1.4783476223669227
Energy: 1.0791287915987824
Energy: 1.3676311608918879
Energy: 1.0793274275538713
Energy: 1.374226471930892
Energy: 1.079327427554633
Energy: 1.4100963650551357
Energy: 1.046534653827124
Energy: 1.3144288754898388
Energy: 1.046534653826363
Energy: 1.367880785057366
Energy: 1.0659643943586434
Energy: 1.3618088733986276
Energy: 1.0659643943578818
Energy: 1.2819023778432852
Energy: 1.046430329282027
Energy: 1.3845676646085643
Energy: 1.0464303292812653
Energy: 1.3740354579367187
Energy: 1.05541002024902
Energy: 1.349122066086129
Energy: 1.05541002024902
Energy: 1.3312694649025947
Energy: 1.0463640849054223
Energy: 1.2952369560337942
Energy: 1.0463640849046607
Energy: 1.4229168500530855
Energy: 1.0827404426384395
Energy: 1.3567558131003652
Energy: 1.0827404426384395
Energy: 1.2826391153176186
Energy: 1.0463798655879513
Energy: 1.3244788286185
Energy: 1.0463798655879513
Energy: 1.3527962619611666
Energy: 1.0689750376563125
Energy: 1.391760868184601
Energy: 1.068975037657074
Energy: 1.2880529930671356
Energy: 1.046549533542286
Energy: 1.30861159745391
Energy: 1.046549533540763
Energy: 1.4209466255725922
Energy: 1.0684879088977264
Energy: 1.3572488294017593
Energy: 1.068487908896965
Energy: 1.3146919272803987
Energy: 1.0461871355542927
Energy: 1.3004740708469933
Energy: 1.0461871355535315
Energy: 1.3450809073847967
Energy: 1.0408810478153598
Energy: 1.4401505741961895
Energy: 1.0408810478145984
Energy: 1.283571796724806
Energy: 1.0463640755645922
Energy: 1.35199261365507
Energy: 1.0463640755638308
Energy: 1.3655310586833398
Energy: 1.0556533750155586
Energy: 1.3616651515473905
Energy: 1.0556533750163202
Energy: 1.375618347896144
Energy: 1.0464784935445257
Energy: 1.31431242548714
Energy: 1.046478493543764
Energy: 1.3684650208233502
Energy: 1.1986166309351465
Energy: 1.4003605314611665
Energy: 1.198616630934385
Energy: 5.778279167875675
Energy: 1.0787610430167327
Energy: 1.4226417614755906
Energy: 1.0787610430159713
Energy: 1.4075502196905678
Energy: 1.2132032991546293
Energy: 1.372350070850584
Energy: 1.2132032991546293
Energy: 1.464001371611227
Energy: 1.0939249192350176
Energy: 5.493572081606172
Energy: 1.093924919235779
Energy: 1.3974186678795217
Energy: 1.129568162421871
Energy: 1.35527434527703
Energy: 1.129568162421871
Energy: 8.36636951962811
Energy: 1.1458553360064254
Energy: 1.4851782099381856
Energy: 1.145855336005664
Energy: 1.38155038837062
Energy: 1.1839950780603026
Energy: 1.4320771794601403
Energy: 1.1839950780603026
Energy: 1.5473782072306455
Energy: 1.1760569211986116
Energy: 9.33432763677273
Energy: 1.1760569211993732
Energy: 1.476475216784567
Energy: 1.1724092825471113
Energy: 1.35518750798311
Energy: 1.1724092825471113
Energy: 9.347906251295562
Energy: 1.1455315098488636
Energy: 1.4851457882070669
Energy: 1.1455315098473409
Energy: 1.408256352998582
Energy: 1.139373738257006
Energy: 1.4320321765959962
Energy: 1.1393737382577676
Energy: 1.46424985284126
Energy: 1.0939269474322393
Energy: 5.813778553029331
Energy: 1.0939269474322393
Energy: 1.3973350101541038
Energy: 1.0920021403945555
Energy: 1.4007119835345463
Energy: 1.0920021403945555
Energy: 5.602213748693308
Energy: 1.078557273520843
Energy: 1.4225157393818018
Energy: 1.0785572735216047
Energy: 1.3667987017980554
Energy: 1.079916164815766
Energy: 1.3721715382142632
Energy: 1.0799161648165274
Energy: 1.3756417300505013
Energy: 1.0462289636832733
Energy: 1.313234119227636
Energy: 1.0462289636825115
Energy: 1.3561790490730168
Energy: 1.0492742913351656
Energy: 1.3790388266728746
Energy: 1.049274291334404
Energy: 1.2811892985758426
Energy: 1.0461281652568233
Energy: 1.3521813644642295
Energy: 1.046128165256062
Energy: 1.3650050062092256
Energy: 1.056175545855222
Energy: 1.3502020601915008
Energy: 1.0561755458544604
Energy: 1.3145684444390755
Energy: 1.0335351760186613
Energy: 1.2951007334867204
Energy: 1.0335351760186613

minimum gb energy = 1.0335351760186613 eV
minimum distance =  2.52585619454138 Angstroms
sigma value = 113


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

Energy: 0.019689875365440153
Energy: 0.019951681051938473
Energy: 7.068468740794743
Energy: 0.019951681051385606
Energy: 0.02000421716690328
Energy: 1.0330412587845108
Energy: 0.02000421716690328
Energy: 1.0330412587845108
Energy: 11.955606119063368
Energy: 0.019951681051938473
Energy: 0.019689875365440153
Energy: 0.019951681051385606
Energy: 0.02000421716690328
Energy: 1.0330412587845108
Energy: 0.02000421716690328
Energy: 1.0330412587845108
Energy: 0.019689875365440153
Energy: 0.019951681051385606
Energy: 11.970361643797057
Energy: 0.019951681051385606
Energy: 0.02000421716690328
Energy: 1.0330412587845108
Energy: 0.02000421716690328
Energy: 1.0330412587845108

minimum gb energy = 0.019689875365440153 eV
minimum distance =  2.69846477635169 Angstroms
sigma value = 1