Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_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=3.1465589627623562
cohesive_energy=6.810535640520251
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.3083199636691596e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-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: 0.017335751967862766
Energy: 0.017547554014898475
Energy: 7.4961557695347985
Energy: 6.30492198376248
Energy: 0.017547554014898475
Energy: 0.23931860897784255
Energy: 1.4172725991967534
Energy: 0.23931860897784255
Energy: 7.448282879706225
Energy: 1.4172725991967534
Energy: 1.6558975372911213
Energy: 1.4172725991967534
Energy: 6.254219110225604
Energy: 0.23931860897784255
Energy: 1.4172725991967534
Energy: 0.23931860897784255

minimum gb energy = 0.017335751967862766 eV
minimum distance =  2.67787598755747 Angstroms
sigma value = 1


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

Energy: 2.838504978675002
Energy: 1.5940492389886383
Energy: 10.425034370786305
Energy: 6.160509128153355
Energy: 2.7129321504130055
Energy: 1.5881838489091504
Energy: 1.5298998824664263
Energy: 1.5881838489081463
Energy: 2.6858686838831214
Energy: 1.4547742361796283
Energy: 1.456970023927124
Energy: 1.4547742361796283
Energy: 2.7188488224302105
Energy: 1.7148451979886414
Energy: 1.4882919084721857
Energy: 1.7148451979876376
Energy: 2.634680956817687
Energy: 1.634584691715184
Energy: 8.235649337211106
Energy: 1.63458469171418
Energy: 2.7165924183010066
Energy: 1.7151428013066676
Energy: 1.8813004142890684
Energy: 1.7151428013066676
Energy: 2.7282705750011407
Energy: 1.678877547654987
Energy: 1.8648724450753678
Energy: 1.678877547654987
Energy: 2.291203496714409
Energy: 1.7290558862088428
Energy: 1.8264506628554737
Energy: 1.7290558862078385
Energy: 2.152501232404707
Energy: 1.841855688292414
Energy: 2.237092291752242
Energy: 1.8418556883204813
Energy: 2.2910351646231764
Energy: 1.7277968141023314
Energy: 2.3095917570746294
Energy: 1.727796814101327
Energy: 2.344963720552165
Energy: 1.7271449424199061
Energy: 2.2496216628369803
Energy: 1.72714494242091
Energy: 1.8267161942122867
Energy: 1.7296810867198684
Energy: 2.285358539654666
Energy: 1.7296810867198684
Energy: 1.8838762741462332
Energy: 1.6771983546762643
Energy: 2.282348272010531
Energy: 1.6771983546762643
Energy: 1.8257228130040672
Energy: 1.7173855772493363
Energy: 2.7162338663212355
Energy: 1.7173855772502944
Energy: 6.0174556279814375
Energy: 1.5983042182610514
Energy: 2.4104643966802994
Energy: 1.5983042182610514
Energy: 1.4875330681145775
Energy: 1.7156927481567312
Energy: 2.711876639607995
Energy: 1.715692748157735
Energy: 1.4552517407432575
Energy: 1.4551566083368321
Energy: 2.7083600862126818
Energy: 1.4551566083358283
Energy: 1.5289605517766414
Energy: 1.5275812422694441
Energy: 2.7151145973918496
Energy: 1.527581242270448
Energy: 8.637582846003795
Energy: 1.4882255457612987
Energy: 2.558440676377199
Energy: 1.4882255457612987
Energy: 1.6620833524610088
Energy: 1.6798995471302662
Energy: 2.6824927239545278
Energy: 1.6798995471302662
Energy: 1.603720637057671
Energy: 1.5412177914402727
Energy: 2.7165773169583645
Energy: 1.5412177914382643
Energy: 1.5996723814029612
Energy: 1.6190254702141897
Energy: 2.55120393299937
Energy: 1.6190254702151936
Energy: 1.5872114353710527
Energy: 1.727142489993535
Energy: 2.3274472369610324
Energy: 1.727142489994539
Energy: 2.064176257598922
Energy: 1.7278578158886482
Energy: 2.546197291132715
Energy: 1.72785781588664
Energy: 2.1395795156557127
Energy: 1.7263769577668893
Energy: 2.5741677688366598
Energy: 1.7263769577678933
Energy: 2.072571174889326
Energy: 1.7262543862360777
Energy: 2.0564805398203827
Energy: 1.7262543862370816
Energy: 2.056388693827996
Energy: 1.725341325804687
Energy: 2.1319468436790965
Energy: 1.725341325804687
Energy: 2.5532625771505053
Energy: 1.7266009223350043
Energy: 2.054709149210211
Energy: 1.7266009223350043
Energy: 2.412227336316746
Energy: 1.7275392292326008
Energy: 5.269987378398762
Energy: 1.7275392292305927
Energy: 2.44027653602909
Energy: 1.7272905956433335
Energy: 1.5890899294053369
Energy: 1.7272905956423295
Energy: 2.5591757534334976
Energy: 1.5424195989374005
Energy: 1.5900170722936828
Energy: 1.5424195989363965
Energy: 2.714352799785016
Energy: 1.5808572196530473
Energy: 1.6252699844800176
Energy: 1.580857219652043
Energy: 2.7006995373049874
Energy: 6.151448439955541
Energy: 10.62337443687288
Energy: 6.153237066002462

minimum gb energy = 1.4547742361796283 eV
minimum distance =  1.57973991186545 Angstroms
sigma value = 1


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

Energy: 3.142271882252026
Energy: 2.8512340981293662
Energy: 9.190824210416485
Energy: 9.141278739399748
Energy: 2.5903505631881596
Energy: 1.6081939024730378
Energy: 1.6062522476285048
Energy: 1.6081939024730378
Energy: 2.6128886781924288
Energy: 1.4962532753558524
Energy: 1.4957197949462522
Energy: 1.4962532753558524
Energy: 2.617345523365719
Energy: 1.7668169746068167
Energy: 1.6066610170692182
Energy: 1.7668169746068167
Energy: 2.68156577151926
Energy: 1.6528967089652735
Energy: 12.896346508276897
Energy: 1.6528967089664182
Energy: 2.615411105442415
Energy: 1.7664458826741292
Energy: 1.8572457012081671
Energy: 1.766445882675274
Energy: 2.6167279869250413
Energy: 1.6651398946545801
Energy: 1.8302043665124734
Energy: 1.6651398946557248
Energy: 2.3239738852783907
Energy: 1.6660311409268955
Energy: 1.7894108931485806
Energy: 1.6660311409268955
Energy: 2.6504203158962323
Energy: 1.7831650874907286
Energy: 2.1216143143397423
Energy: 1.7831650874907286
Energy: 2.3971731572456614
Energy: 1.7806791701107614
Energy: 2.319072891684391
Energy: 1.7806791701107614
Energy: 8.948475051249394
Energy: 1.7811466278567163
Energy: 2.1493849901900126
Energy: 1.781146627857861
Energy: 1.787854238419122
Energy: 1.7852467235124678
Energy: 2.0365673922844687
Energy: 1.7852467235124678
Energy: 1.8256705382946263
Energy: 1.6664117562884666
Energy: 2.6353663683846995
Energy: 1.6664117562884666
Energy: 1.8863384563368855
Energy: 1.7672695345197886
Energy: 2.612193869908651
Energy: 1.7672695345197886
Energy: 8.956491501712609
Energy: 8.865488291503931
Energy: 2.586422865537951
Energy: 8.952821426980767
Energy: 1.605834641823898
Energy: 1.767177389340072
Energy: 2.5834930922718184
Energy: 1.767177389338927
Energy: 1.496484679641462
Energy: 1.4960904540433142
Energy: 2.615692566852356
Energy: 1.4960904540444593
Energy: 1.4973552138117787
Energy: 1.4990078174000345
Energy: 2.6155775221867676
Energy: 1.4990078174000345
Energy: 14.542932368687085
Energy: 1.6534251545125562
Energy: 2.645950338177898
Energy: 1.6534251545159904
Energy: 1.9673397961200838
Energy: 1.7661428140205038
Energy: 2.6142039913722614
Energy: 1.766142814019359
Energy: 1.7796627121083535
Energy: 1.6645717946036416
Energy: 2.6124114031122385
Energy: 1.6645717946024967
Energy: 1.781777341500456
Energy: 1.664791239077783
Energy: 2.3208753790908356
Energy: 1.664791239077783
Energy: 1.7831343076836736
Energy: 1.7806328956786384
Energy: 2.651153926802913
Energy: 1.78063289567177
Energy: 2.3210330199397005
Energy: 1.7827785675872365
Energy: 2.3208039608084094
Energy: 1.7827785675872365
Energy: 2.143391948732075
Energy: 1.780324738384781
Energy: 9.090078282399421
Energy: 1.7803247383859255
Energy: 2.040222298373718
Energy: 1.779876023805349
Energy: 1.8008294406198302
Energy: 1.779876023805349
Energy: 2.3201046064247914
Energy: 1.6649252895380562
Energy: 1.8267916060909752
Energy: 1.6649252895369113
Energy: 2.6123089322816124
Energy: 1.6650368606228438
Energy: 1.883791858677644
Energy: 1.6650368606239887
Energy: 2.585391609475113
Energy: 8.731165364162527
Energy: 8.74357772152473
Energy: 8.316639556170447

minimum gb energy = 1.4957197949462522 eV
minimum distance =  1.59560476006173 Angstroms
sigma value = 25


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

Energy: 3.007229981249369
Energy: 1.8774023484495865
Energy: 6.859453996634936
Energy: 6.890562462801301
Energy: 2.445166297058594
Energy: 1.6748542796177965
Energy: 1.6741815818711123
Energy: 1.6748542796177965
Energy: 2.4962803826783144
Energy: 1.5788170597313025
Energy: 1.579952726370886
Energy: 1.5788170597326332
Energy: 2.4915854840272544
Energy: 1.616309331930407
Energy: 1.6150319321995614
Energy: 1.6163093319290762
Energy: 2.7406105200874706
Energy: 1.806000531684424
Energy: 2.0245816020752487
Energy: 1.806000531684424
Energy: 2.49135311233098
Energy: 1.803638012904256
Energy: 2.1187758051478487
Energy: 1.803638012904256
Energy: 2.492879954804524
Energy: 1.8726943376222698
Energy: 2.151748982360488
Energy: 1.8726943376222698
Energy: 2.082671458698026
Energy: 1.8755875541423075
Energy: 2.0838209394431373
Energy: 1.8755875541423075
Energy: 2.190819949242848
Energy: 1.8720541959797434
Energy: 2.3666724460925312
Energy: 1.8720541959797434
Energy: 2.115376389682008
Energy: 1.872999097303432
Energy: 2.5544688162107305
Energy: 1.872999097302101
Energy: 6.1517071461420665
Energy: 1.7645827865929105
Energy: 2.53706000552275
Energy: 1.7645827865942412
Energy: 1.614914020586663
Energy: 1.619733612114735
Energy: 2.543375131066924
Energy: 1.619733612114735
Energy: 1.5780171964936576
Energy: 1.5789261830711327
Energy: 2.4990244564244706
Energy: 1.5789261830724635
Energy: 1.6742384168608995
Energy: 1.6757912090951246
Energy: 2.5010531753385385
Energy: 1.6757912090937939
Energy: 9.895376509240355
Energy: 1.616405327071986
Energy: 2.7107554409063406
Energy: 1.616405327071986
Energy: 1.8572286256135966
Energy: 1.7598542683310667
Energy: 2.4885768432997866
Energy: 1.7598542683323974
Energy: 1.7686500938122138
Energy: 1.7084389670320965
Energy: 2.5014119626690414
Energy: 1.7084389670320965
Energy: 1.7686485422924079
Energy: 1.7081664166412813
Energy: 2.3749269758234766
Energy: 1.7081664166399506
Energy: 1.7708325252742687
Energy: 1.9200441433307627
Energy: 2.2218069614597655
Energy: 1.9200441433307627
Energy: 2.3765870097935435
Energy: 1.9211280671768156
Energy: 2.3757900464539032
Energy: 1.921128067175485
Energy: 2.2969168408263223
Energy: 1.9195017666220033
Energy: 2.375899049605792
Energy: 1.9195017666220033
Energy: 2.2607987120873996
Energy: 1.9193467620140892
Energy: 1.8204184694235992
Energy: 1.9193467620140892
Energy: 2.373929835746622
Energy: 1.7083702799032843
Energy: 1.7923077150374376
Energy: 1.7083702799032843
Energy: 2.4990996748443335
Energy: 1.7611454620246392
Energy: 1.8184610010194566
Energy: 1.7611454620219775
Energy: 2.534603999533712
Energy: 1.6250630114790459
Energy: 6.177613659137881
Energy: 1.6250630114497995

minimum gb energy = 1.5780171964936576 eV
minimum distance =  2.50571120017028 Angstroms
sigma value = 9


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

Energy: 2.682327461471007
Energy: 2.50487934191276
Energy: 10.80672301994661
Energy: 10.497215027606078
Energy: 2.3348512403089487
Energy: 1.5998787389508717
Energy: 1.7671940962354618
Energy: 1.5998787389508717
Energy: 2.3830203420550284
Energy: 1.5987938060269185
Energy: 1.5949350370239002
Energy: 1.5987938060269185
Energy: 2.381531979390918
Energy: 1.7680105962616466
Energy: 1.7685765139459106
Energy: 1.7680105962616466
Energy: 2.126109090577771
Energy: 1.8055829281295017
Energy: 1.9638757579023596
Energy: 1.805582943653195
Energy: 2.3810532021282906
Energy: 1.837426090456125
Energy: 2.1509036175641993
Energy: 1.837426090456125
Energy: 2.382801948483538
Energy: 1.8391736922903676
Energy: 1.5783074661887695
Energy: 1.8391736922903676
Energy: 2.00887580229206
Energy: 1.839706136390841
Energy: 2.005204196912434
Energy: 1.8397061363924285
Energy: 2.118725740878751
Energy: 1.8411719986026722
Energy: 2.3843459984135404
Energy: 1.8411719986026722
Energy: 2.151621525168781
Energy: 1.8379806713248332
Energy: 2.3815113401326955
Energy: 1.8379806713232458
Energy: 10.800900475982413
Energy: 10.277911759897162
Energy: 2.6178000166282525
Energy: 10.331142159404054
Energy: 10.249853151764645
Energy: 1.6021571368229437
Energy: 2.3349478057807023
Energy: 1.6021571368229437
Energy: 1.59990525151273
Energy: 1.599207677983018
Energy: 2.384033448447563
Energy: 1.599207677983018
Energy: 1.6011421701234072
Energy: 1.5994655185358615
Energy: 2.3820234878861695
Energy: 1.5994655185358615
Energy: 1.7661357938220241
Energy: 1.8055722414126765
Energy: 2.1272829393316237
Energy: 1.8055722414110886
Energy: 2.152886791343595
Energy: 1.9856058008602686
Energy: 2.3829018192364204
Energy: 1.9856058008586808
Energy: 1.5795257302915933
Energy: 1.8381172107122212
Energy: 2.381224560236738
Energy: 1.8381172107138086
Energy: 1.5790524596447413
Energy: 1.8383039830951464
Energy: 2.1525688331546826
Energy: 1.8383039830951464
Energy: 2.0091464182397822
Energy: 1.8390357804584199
Energy: 2.139314831886065
Energy: 1.8390357804584199
Energy: 2.381947986205803
Energy: 1.839117416147751
Energy: 2.1521571242770086
Energy: 1.839117416147751
Energy: 2.623847492147488
Energy: 1.9853813021690918
Energy: 10.54195796975992
Energy: 1.9853813021690918

minimum gb energy = 1.5783074661887695 eV
minimum distance =  2.46876013185516 Angstroms
sigma value = 25


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

Energy: 2.372022899088466
Energy: 1.9299957585695802
Energy: 8.309938365994807
Energy: 8.174280324625675
Energy: 2.125872911901538
Energy: 1.755225231734395
Energy: 1.9741689965968077
Energy: 1.7552252317324322
Energy: 2.229614540633713
Energy: 1.6970162324115226
Energy: 1.698332430026077
Energy: 1.6970162324134859
Energy: 2.3844122368075324
Energy: 1.737184034354258
Energy: 1.7350972408656342
Energy: 1.737184034354258
Energy: 2.0424025717000527
Energy: 1.8086070085823656
Energy: 2.2272732783781533
Energy: 1.8086070085823656
Energy: 2.287306039707035
Energy: 1.738983913424785
Energy: 2.2291819562197173
Energy: 1.7389839134287117
Energy: 7.3906196658886305
Energy: 1.9338618648367578
Energy: 2.374284502185506
Energy: 1.9338618648347945
Energy: 1.7353367082695867
Energy: 1.7366830359868606
Energy: 2.272738671226134
Energy: 1.7366830359868606
Energy: 1.694136614562369
Energy: 1.6964133671336308
Energy: 2.2292529262612804
Energy: 1.6964133671336308
Energy: 1.8231820839986295
Energy: 1.7583300598447777
Energy: 2.3215730070472973
Energy: 1.7583300598487042
Energy: 12.581873748943297
Energy: 1.754406024407739
Energy: 2.500853749955995
Energy: 1.754406030322374
Energy: 2.3068887897578447
Energy: 1.974698557653843
Energy: 2.4407524787345185
Energy: 1.974698557653843
Energy: 2.01338872184539
Energy: 1.9194775858368733
Energy: 2.3206808702218993
Energy: 1.9194775858368733
Energy: 2.0090687665149565
Energy: 1.9195947905070752
Energy: 2.084741529092545
Energy: 1.9195947905070752
Energy: 2.113080342834141
Energy: 1.6962369081314554
Energy: 2.0563633468741704
Energy: 1.696236911041677
Energy: 2.2281124438936657
Energy: 1.9190208364057497
Energy: 2.0863317017325635
Energy: 1.9190208364057497
Energy: 2.1261958078679957
Energy: 1.9752789380551699
Energy: 7.650790031967351
Energy: 1.9752789380551699

minimum gb energy = 1.694136614562369 eV
minimum distance =  2.52528803881796 Angstroms
sigma value = 17


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

Energy: 3.2751121639356837
Energy: 1.6900243212983683
Energy: 10.520185797042458
Energy: 6.562990602152093
Energy: 2.0589445686584322
Energy: 1.7107651170755291
Energy: 2.0628595597368347
Energy: 1.7107651170755291
Energy: 2.099845821347765
Energy: 1.7122604675476039
Energy: 1.716763175494026
Energy: 1.7122604675476039
Energy: 2.1399977157382435
Energy: 1.733934090068788
Energy: 1.792767626004365
Energy: 1.733934090068788
Energy: 2.14688231676858
Energy: 1.8832726009748821
Energy: 2.0832180467885393
Energy: 1.8832726009748821
Energy: 2.2087926072320703
Energy: 1.6714903053899386
Energy: 2.087254341168999
Energy: 1.6714903053910506
Energy: 5.615612436684855
Energy: 1.8956243757340998
Energy: 2.145937172066448
Energy: 1.8956243757329878
Energy: 1.8945310888674256
Energy: 1.89454601906289
Energy: 2.352730316111098
Energy: 1.89454601906289
Energy: 1.7167573519615045
Energy: 1.6707158593642408
Energy: 2.0993715326623916
Energy: 1.6707158593653526
Energy: 1.7204064944061088
Energy: 1.6710741967417226
Energy: 2.273784181688182
Energy: 1.6710741967428346
Energy: 1.844314621545836
Energy: 1.6986870783026606
Energy: 2.1517605622544047
Energy: 1.6986870783015486
Energy: 2.1376016735440886
Energy: 1.7652985220423099
Energy: 2.256245785450855
Energy: 1.7652985220423099
Energy: 2.1591330899149073
Energy: 1.7658920755774354
Energy: 2.1352097048826155
Energy: 1.7658920755752117
Energy: 2.14697066821058
Energy: 1.7640937352006758
Energy: 5.147452933871087
Energy: 1.764093735254047
Energy: 2.254856142618314
Energy: 1.6721237016224912
Energy: 1.7139917469668609
Energy: 1.6721237016236032
Energy: 2.1673283011011812
Energy: 1.673221517069207
Energy: 1.7425803693697532
Energy: 1.673221517069207
Energy: 2.253348670696535
Energy: 1.8982348130947253
Energy: 1.8934323477519053
Energy: 1.8982348130947253
Energy: 2.252606494288244
Energy: 1.899413372203193
Energy: 2.2401441749607534
Energy: 1.899413372203193
Energy: 2.087983200378996
Energy: 1.7928444941778234
Energy: 2.162864017446107
Energy: 1.792844494178935
Energy: 2.090405522395449
Energy: 2.0672553458636225
Energy: 2.107866213548283
Energy: 2.0672553458569514
Energy: 1.734669590329446
Energy: 1.7314309333754614
Energy: 2.1153294866521613
Energy: 1.731430933377685
Energy: 1.7094034004178942
Energy: 1.713458212746617
Energy: 2.103706406254029
Energy: 1.7134582127455051
Energy: 2.1434219854753844
Energy: 2.142361742287235
Energy: 2.2355643651772232
Energy: 2.142361742287235
Energy: 9.13023697131338
Energy: 1.7124026709516857
Energy: 2.2523218035831567
Energy: 1.7124026709583067
Energy: 2.048353400430497
Energy: 1.7116172081243395
Energy: 2.070238595011839
Energy: 1.7116172081243395
Energy: 1.9043866742152602
Energy: 1.7111212555940742
Energy: 2.1052573921656714
Energy: 1.71112125559741
Energy: 1.9324796887306654
Energy: 1.7123094358240682
Energy: 1.9614031727921826
Energy: 1.7123094358496418
Energy: 2.09785301301762
Energy: 1.7108420218707745
Energy: 1.9058539977726068
Energy: 1.7108420218707745
Energy: 2.097430404170193
Energy: 1.7116857120131812
Energy: 2.1822616676022175
Energy: 1.7116857120120692
Energy: 2.3521522904551944
Energy: 4.644341210819302
Energy: 10.903227683761335
Energy: 4.658396437236504

minimum gb energy = 1.6707158593642408 eV
minimum distance =  1.58126316052906 Angstroms
sigma value = 53


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

Energy: 1.4497789083265407
Energy: 1.4885072509291788
Energy: 14.589679188756392
Energy: 14.004641895537235
Energy: 1.4513716430409165
Energy: 1.501686931052157
Energy: 1.8075788336106142
Energy: 1.501686931052157
Energy: 1.9418127321327314
Energy: 1.5280751979754508
Energy: 1.4834417904907358
Energy: 1.5280751979754508
Energy: 1.9518872383237806
Energy: 1.8255740280357762
Energy: 2.1774701775071863
Energy: 1.8255740280357762
Energy: 2.106005074275349
Energy: 1.893349774586867
Energy: 2.1759821876308423
Energy: 1.893349774586867
Energy: 1.9453262823547603
Energy: 1.528643909743251
Energy: 2.1740798214994537
Energy: 1.5286439097458107
Energy: 14.945582349142645
Energy: 13.92243820152835
Energy: 1.4589592354355267
Energy: 13.796441876843003
Energy: 14.644113050864446
Energy: 1.5009023594565307
Energy: 1.4506520728374408
Energy: 1.5009023594565307
Energy: 1.802765270441856
Energy: 1.5004941399317577
Energy: 1.9420032685539985
Energy: 1.5004941399317577
Energy: 1.8039619141379843
Energy: 1.5285563660939472
Energy: 1.948204543334159
Energy: 1.5285563660939472
Energy: 2.1770776363568745
Energy: 1.5038272487940152
Energy: 2.106034423587758
Energy: 1.5038272487940152
Energy: 2.1796133037963434
Energy: 1.8281947930012479
Energy: 1.9489147886607239
Energy: 1.8281947930012479
Energy: 1.4505158699180392
Energy: 1.5283739538811458
Energy: 15.280606813398192
Energy: 1.5283739538811458

minimum gb energy = 1.4497789083265407 eV
minimum distance =  2.47094571255526 Angstroms
sigma value = 9


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

Energy: 2.972125395872749
Energy: 2.012869305252543
Energy: 10.490554097214261
Energy: 6.024050627391158
Energy: 2.549294114336953
Energy: 1.9795041552763035
Energy: 2.312459333844
Energy: 1.9795041552772505
Energy: 2.036999496126256
Energy: 1.9239617790066947
Energy: 1.923865003509066
Energy: 1.9239617790066947
Energy: 1.922256700708513
Energy: 1.858413909234622
Energy: 1.8541661291383362
Energy: 1.858413909234622
Energy: 1.8533181936212586
Energy: 1.8589470023930863
Energy: 1.9761417048729053
Energy: 1.8589470023911914
Energy: 2.1645511372790964
Energy: 1.9189754804973589
Energy: 2.070771226876739
Energy: 1.9189754804973589
Energy: 8.269964066419295
Energy: 2.2598803860212104
Energy: 2.510373721262476
Energy: 2.259880386019316
Energy: 8.013655694329971
Energy: 2.368737385504625
Energy: 2.509382825474864
Energy: 2.3687373855055727
Energy: 2.080232377073345
Energy: 1.8771299903777168
Energy: 2.2208607138106036
Energy: 1.8771299903777168
Energy: 1.9234503878745521
Energy: 1.9385848227796885
Energy: 1.779060242885489
Energy: 1.9385848227796885
Energy: 2.093171845228121
Energy: 1.7792540685994773
Energy: 1.7778024982782152
Energy: 1.7792540685985299
Energy: 2.0731471684438154
Energy: 1.8203678711622362
Energy: 1.9375292192800881
Energy: 1.8203678711612885
Energy: 2.513509489698416
Energy: 2.08567839081413
Energy: 2.0868723072242816
Energy: 2.0856783908122356
Energy: 2.511804042017833
Energy: 2.0854685386166363
Energy: 7.424268034051439
Energy: 2.0854685386166363
Energy: 2.515294745191876
Energy: 1.8080113724569657
Energy: 2.467879879445611
Energy: 1.8080113724569657
Energy: 2.093458585300397
Energy: 1.8090254337699125
Energy: 2.2433564970220656
Energy: 1.8090254337737024
Energy: 1.817838083568083
Energy: 1.8088547392450298
Energy: 2.329375990899812
Energy: 1.8088547392440824
Energy: 1.9125734842198507
Energy: 1.8288163488467508
Energy: 2.3336878061951354
Energy: 1.8288163488476983
Energy: 1.9218302635026607
Energy: 1.9192871374134195
Energy: 2.518138226880804
Energy: 1.919287137412472
Energy: 2.0670398025039174
Energy: 1.9189640334458322
Energy: 2.4096841013025925
Energy: 1.9189640334458322
Energy: 2.536346895940624
Energy: 1.9118387051813608
Energy: 2.5465187936566607
Energy: 1.9118387051832553
Energy: 2.4203662662739105
Energy: 1.9230310301947224
Energy: 2.3371521100324864
Energy: 1.9230310301956697
Energy: 2.4496730689931847
Energy: 1.922724964990612
Energy: 4.8248384990324915
Energy: 1.9227249649915594
Energy: 2.4803952798248865
Energy: 1.8750756106710684
Energy: 1.94000228396327
Energy: 1.8750756106701212
Energy: 2.3223306305671776
Energy: 1.8460395739435556
Energy: 1.8081895108275805
Energy: 1.8460395739416608
Energy: 2.0997762207911665
Energy: 1.8096403551655933
Energy: 1.8119224509868208
Energy: 1.8096403551608564
Energy: 2.329430079927089
Energy: 1.8084933639343355
Energy: 2.3489957353041278
Energy: 1.8084933639277037
Energy: 2.4719958862693057
Energy: 2.0499029713193018
Energy: 2.588426496097094
Energy: 2.0499029713193018
Energy: 5.6902873992473255
Energy: 2.0857806068916833
Energy: 2.5177228395951055
Energy: 2.0857806068916833
Energy: 2.085421291772581
Energy: 2.057970533827119
Energy: 2.3743719039149833
Energy: 2.0579705338280667
Energy: 1.7831337130488234
Energy: 1.9130587388246616
Energy: 2.156322997999696
Energy: 1.9130587388246616
Energy: 1.7787903082813805
Energy: 1.781524740934185
Energy: 2.0736120351145817
Energy: 1.7815247409332375
Energy: 2.25504793179648
Energy: 1.9360096705490637
Energy: 2.082125021586112
Energy: 1.9360096705490637
Energy: 2.2427301379927815
Energy: 1.8007999037011542
Energy: 2.3946193709187007
Energy: 1.800799903699259
Energy: 2.4160126966040765
Energy: 6.065142153585866
Energy: 10.435922568436416
Energy: 5.611471000573978

minimum gb energy = 1.7778024982782152 eV
minimum distance =  1.57736547446073 Angstroms
sigma value = 73


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

Energy: 2.9192750200584787
Energy: 2.161204258873372
Energy: 6.017919658787467
Energy: 7.125210137410806
Energy: 2.560829098326754
Energy: 2.0187195801385944
Energy: 2.26805156439103
Energy: 2.018719580125066
Energy: 2.1842825907659513
Energy: 1.9544396497928958
Energy: 1.9215403266578803
Energy: 1.9544396497913923
Energy: 1.9258908427748154
Energy: 1.9097260589982232
Energy: 1.918943183670047
Energy: 1.9097260589982232
Energy: 1.9211812378017368
Energy: 1.9084014969596494
Energy: 2.158147493138717
Energy: 1.9084014969581464
Energy: 2.116983122994209
Energy: 1.8784100658821459
Energy: 2.091147584479584
Energy: 1.8784100658821459
Energy: 10.101649344926809
Energy: 2.182126123383683
Energy: 2.6095910004154086
Energy: 2.182126123383683
Energy: 2.399384170177421
Energy: 2.1824184820268115
Energy: 2.5968981758480045
Energy: 2.1824184820253087
Energy: 2.2558483743376194
Energy: 1.9361045312776108
Energy: 2.4069399431266576
Energy: 1.9361045312776108
Energy: 2.0874508309590856
Energy: 1.9369616080637337
Energy: 1.8196629891078329
Energy: 1.9369616080637337
Energy: 2.224801064590758
Energy: 1.8189014161312844
Energy: 1.8182463508369513
Energy: 1.8189014161312844
Energy: 2.34155783306409
Energy: 1.8641600533714495
Energy: 1.9415485775373693
Energy: 1.8641600533714495
Energy: 2.2442561303651045
Energy: 1.9340356864858765
Energy: 1.9341733747164018
Energy: 1.9340356864858765
Energy: 2.239593629480977
Energy: 1.9347808069834131
Energy: 2.5538701558147654
Energy: 1.9347808069834131
Energy: 2.4579284028991935
Energy: 1.9078959925121948
Energy: 2.5625395382979357
Energy: 1.9078959925106913
Energy: 6.452390546353118
Energy: 1.9358853736644255
Energy: 2.4666409251893255
Energy: 1.9358853736644255
Energy: 1.9399335613473743
Energy: 1.933751291833739
Energy: 2.462376416913645
Energy: 1.933751291833739
Energy: 2.0271170748966973
Energy: 1.8647728770316545
Energy: 2.3102318941698665
Energy: 1.8647728770316545
Energy: 1.8180504218490188
Energy: 1.819444787531284
Energy: 2.245982375473536
Energy: 1.819444790074996
Energy: 1.9259611799439227
Energy: 1.9366493961010602
Energy: 2.2515633956111536
Energy: 1.9366493961025633
Energy: 2.2690408776235724
Energy: 1.818999188364824
Energy: 2.258189641096568
Energy: 1.8189991756823396
Energy: 2.4764431732919814
Energy: 2.2654733242993936
Energy: 6.523879906666869
Energy: 2.2654733242978904

minimum gb energy = 1.8180504218490188 eV
minimum distance =  2.44739316696731 Angstroms
sigma value = 7


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

Energy: 3.4489848851039753
Energy: 1.9918776430486924
Energy: 8.542641795539572
Energy: 8.295254878572631
Energy: 2.4932684702178705
Energy: 1.949958664774737
Energy: 2.187080399952446
Energy: 1.949958664774737
Energy: 2.0896264622481526
Energy: 2.001631935498626
Energy: 1.9793649601346472
Energy: 2.001631935498626
Energy: 1.9829453777813524
Energy: 1.9550944792622817
Energy: 1.9815991102358363
Energy: 1.9550944792633447
Energy: 1.98282405719627
Energy: 1.9474904232915877
Energy: 2.0796876221258405
Energy: 1.9474904232905248
Energy: 2.0892288400737424
Energy: 1.9350956186240305
Energy: 2.2086727139911098
Energy: 1.9350956186240305
Energy: 13.318221857422763
Energy: 2.234943284998504
Energy: 2.398964884934674
Energy: 2.234943284997441
Energy: 2.456070666548264
Energy: 2.234784666134731
Energy: 2.4042067307522346
Energy: 2.234784666132605
Energy: 2.3868358945379216
Energy: 2.0037891698172103
Energy: 2.2792054017965273
Energy: 2.003789169954275
Energy: 2.0971264936036422
Energy: 2.0040344634083516
Energy: 8.007803751619619
Energy: 2.0040344634083516
Energy: 2.3692690733658
Energy: 1.920000524417334
Energy: 1.883808313139615
Energy: 1.9200005244194598
Energy: 2.3688878599039676
Energy: 1.9621257555601628
Energy: 1.8899952950436414
Energy: 1.9621257555601628
Energy: 2.400126239953195
Energy: 1.886287290654514
Energy: 1.8893975147747606
Energy: 1.8862872925710985
Energy: 2.4063560852702186
Energy: 2.003650791234247
Energy: 2.210953858953905
Energy: 2.003650791234247
Energy: 2.485248403662646
Energy: 1.9489811350735005
Energy: 2.2289421948228374
Energy: 1.9489811350735005
Energy: 8.415181003559658
Energy: 8.596426734718888
Energy: 2.6807662829997736
Energy: 8.372003271792805
Energy: 8.0418672050549
Energy: 1.951587292089881
Energy: 2.684955623498572
Energy: 1.951587292090944
Energy: 2.1253938024518604
Energy: 1.9213089581360352
Energy: 2.1910107092605866
Energy: 1.9213089581370986
Energy: 1.9940182228983363
Energy: 1.954306739732662
Energy: 1.9860373992223221
Energy: 1.954306739732662
Energy: 2.090051893792406
Energy: 1.9623095496921983
Energy: 1.984192393881227
Energy: 1.9623095496900727
Energy: 2.195766674827799
Energy: 1.913101706147707
Energy: 2.0188899654931176
Energy: 1.9131017061456292
Energy: 2.3969915377192805
Energy: 2.234092793907235
Energy: 2.2346191598379366
Energy: 2.2340927939093604
Energy: 2.401457652627033
Energy: 2.2341961448757877
Energy: 2.5374039498110674
Energy: 2.234196144876851
Energy: 2.2829983553671305
Energy: 1.9202091734708688
Energy: 2.3820313449905375
Energy: 1.920209173468743
Energy: 7.794456342189628
Energy: 2.0039474502996777
Energy: 2.0995508194366015
Energy: 2.0039474502996777
Energy: 1.8906760355756407
Energy: 1.8861281169470048
Energy: 2.0945528009028354
Energy: 1.8861281168917345
Energy: 1.8645971739571632
Energy: 1.9590782098030672
Energy: 2.3730106626307133
Energy: 1.9590782098030672
Energy: 1.8841225218508335
Energy: 1.8885384511232501
Energy: 2.405707972470656
Energy: 1.88853845112011
Energy: 1.9670104055402324
Energy: 2.0043857564527054
Energy: 2.404197938894109
Energy: 2.004385756485655
Energy: 2.214253090958399
Energy: 1.8852511047254483
Energy: 2.3211968262815046
Energy: 1.8852511047243858
Energy: 2.784321158724592
Energy: 2.1820578095594447
Energy: 8.180792714523317
Energy: 2.182057809566885

minimum gb energy = 1.8645971739571632 eV
minimum distance =  2.44535769094053 Angstroms
sigma value = 29


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

Energy: 2.523261859932591
Energy: 2.0484501156068013
Energy: 11.162598687682928
Energy: 11.203480214111833
Energy: 2.132233611680892
Energy: 1.9501940989302482
Energy: 1.9211096187153691
Energy: 1.9501940989302482
Energy: 1.9239112515219379
Energy: 1.948897847660979
Energy: 1.9827377036077618
Energy: 1.9488978476606498
Energy: 1.9836578837995882
Energy: 1.8559998656408356
Energy: 1.7529928412843683
Energy: 1.855999865641206
Energy: 1.986855426024415
Energy: 1.861994874720526
Energy: 1.9951491640857375
Energy: 1.8619948747194563
Energy: 1.9679784352717302
Energy: 1.8458279084582914
Energy: 1.9940388126405397
Energy: 1.8458279084582914
Energy: 2.152434495723805
Energy: 2.147107505830071
Energy: 1.9960596280180902
Energy: 2.147107505153405
Energy: 2.154617438065455
Energy: 2.1527041326723966
Energy: 2.0818983076583084
Energy: 2.152704132673137
Energy: 2.16636461496991
Energy: 1.9498052851783145
Energy: 1.9908581986514777
Energy: 1.949805285179055

minimum gb energy = 1.7529928412843683 eV
minimum distance =  2.47218253968868 Angstroms
sigma value = 5


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

Energy: 2.7529277519062196
Energy: 2.400350121590454
Energy: 10.34156135321721
Energy: 6.26909429914476
Energy: 2.201634352037003
Energy: 2.128113860064563
Energy: 2.10825016094568
Energy: 2.128113860064563
Energy: 2.0174131154558435
Energy: 1.9854735989930417
Energy: 2.291028487226789
Energy: 1.9854735989920378
Energy: 1.9504140853004743
Energy: 1.9638768738471881
Energy: 2.2344221641226714
Energy: 1.9638768738461843
Energy: 1.9493829774489733
Energy: 1.965503096275158
Energy: 2.1338716247218183
Energy: 1.965503096274154
Energy: 1.9421687699585426
Energy: 1.9556908033978009
Energy: 2.13677099541978
Energy: 1.9556908033988047
Energy: 1.9362959309247645
Energy: 1.9593649907559567
Energy: 2.141115038911621
Energy: 1.9593649907549524
Energy: 2.087313645859141
Energy: 2.0244408364723485
Energy: 2.1420741557182295
Energy: 2.0244408364723485
Energy: 2.2333516989316036
Energy: 1.9648765050352397
Energy: 1.9640943472596855
Energy: 1.9648765050362438
Energy: 2.339533243827035
Energy: 2.305234971711751
Energy: 7.890523874394216
Energy: 2.3052349717137592
Energy: 2.3407362587749443
Energy: 1.9669992480218832
Energy: 2.087183977977607
Energy: 1.9669992480248955
Energy: 5.3129036455222405
Energy: 2.1416501935102814
Energy: 2.4384415492244673
Energy: 2.1416501935102814
Energy: 5.3140254269203195
Energy: 2.1422239915444843
Energy: 2.4429597605468114
Energy: 2.1422239915444843
Energy: 1.9679193067961864
Energy: 1.9654477216416533
Energy: 2.0846299515686733
Energy: 1.9654477216426571
Energy: 2.139274735580949
Energy: 2.0022590254259884
Energy: 2.0615979506343605
Energy: 2.0022590254259884
Energy: 2.104993005777427
Energy: 1.9589185743210207
Energy: 1.9505761100622176
Energy: 1.9589185743220248
Energy: 2.1334510794207193
Energy: 2.174652950442313
Energy: 1.969221627529298
Energy: 2.1746529504413084
Energy: 2.2356883652114026
Energy: 1.958483372997704
Energy: 1.9459141394603798
Energy: 1.958483372999712
Energy: 2.343011403698958
Energy: 2.0041989302173286
Energy: 1.9576281439245689
Energy: 2.004198930216325
Energy: 2.25617859980618
Energy: 1.9460041174975444
Energy: 2.0199006783109796
Energy: 1.9460041174995524
Energy: 8.000004155019896
Energy: 2.3195823092239722
Energy: 2.507759081444817
Energy: 2.319582309221964
Energy: 8.109056253721416
Energy: 2.3209399108380313
Energy: 2.51054082432232
Energy: 2.3209399108390354
Energy: 2.4108898535431456
Energy: 1.9466058235989132
Energy: 2.0167164310179877
Energy: 1.9466058235989132
Energy: 2.445073266440868
Energy: 2.0243670231884496
Energy: 5.191085617856024
Energy: 2.0243670231884496
Energy: 2.3412029604080713
Energy: 1.9449433087257104
Energy: 2.0238101005288693
Energy: 1.9449433087257104
Energy: 2.119850567917728
Energy: 2.087234196845842
Energy: 2.040759669581759
Energy: 2.0872341968438337
Energy: 1.995290409382629
Energy: 1.9660088320423552
Energy: 1.996981485546504
Energy: 1.9660088320423552
Energy: 1.9951338862406034
Energy: 1.9632158731167948
Energy: 2.004190715759788
Energy: 1.9632158731167948
Energy: 1.948434140567113
Energy: 2.1004979115771025
Energy: 2.1212753479541604
Energy: 2.100497911578106
Energy: 2.0284752742775707
Energy: 2.02551711036723
Energy: 2.337855446640289
Energy: 2.02551711036723
Energy: 2.10835254735354
Energy: 2.0289207015108106
Energy: 2.3379780105198154
Energy: 2.0289207015118147
Energy: 2.094689126262797
Energy: 1.9479077366418778
Energy: 2.1656124118848346
Energy: 1.9479077366428816
Energy: 2.5823971430765362
Energy: 5.47610407807459
Energy: 10.429735146161462
Energy: 5.517756824835567

minimum gb energy = 1.9362959309247645 eV
minimum distance =  1.57840012174495 Angstroms
sigma value = 1


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

Energy: 3.0330065852295927
Energy: 1.8881876847939674
Energy: 9.143472368093779
Energy: 9.288407658200066
Energy: 2.2196428302709648
Energy: 2.0036611517998555
Energy: 1.964261915620001
Energy: 2.0036611517998555
Energy: 1.9857909011731425
Energy: 1.8909982314155807
Energy: 1.9969939238374192
Energy: 1.8909982314155807
Energy: 1.8801860025051085
Energy: 1.872645835657219
Energy: 1.8803644119618428
Energy: 1.8726458356586073
Energy: 1.8934011216301712
Energy: 1.888201568952994
Energy: 2.041387946243004
Energy: 1.888201568952994
Energy: 1.8938559554088943
Energy: 1.88744476230371
Energy: 2.041296869652536
Energy: 1.8874447623023218
Energy: 1.8824325091475596
Energy: 1.8723670119291285
Energy: 2.166604450768359
Energy: 1.8723670119291285
Energy: 1.9869364843576691
Energy: 1.8819322080496048
Energy: 2.1516051336643196
Energy: 1.8819322080496048
Energy: 1.9870133134592909
Energy: 2.0052653978840405
Energy: 2.1516504040208138
Energy: 2.0052653978840405
Energy: 2.1581649311561466
Energy: 2.2719068314259854
Energy: 2.2800300839603
Energy: 2.2719068314259854
Energy: 1.9876501449848802
Energy: 2.0072827158397275
Energy: 2.1537994081721674
Energy: 2.0072827156968023
Energy: 9.32703406335042
Energy: 2.001684276890742
Energy: 2.3951529746070195
Energy: 2.00168427689213
Energy: 9.319845870185132
Energy: 1.8731963954200492
Energy: 2.4394219341714867
Energy: 1.873196395361775
Energy: 1.9634236043396618
Energy: 2.148808228716785
Energy: 1.9607562282808064
Energy: 2.1488082287153967
Energy: 1.888712484877825
Energy: 1.8736149094371783
Energy: 1.8957520174619824
Energy: 1.8736149094385666
Energy: 1.8819463622862633
Energy: 1.8867387828113735
Energy: 1.8921821637191474
Energy: 1.8867387828113735
Energy: 2.0418409095326853
Energy: 1.9838305350258165
Energy: 2.0394902021894468
Energy: 1.9838305350258165
Energy: 1.9964509426949728
Energy: 1.881283772463847
Energy: 1.8956637393248896
Energy: 1.881283772463847
Energy: 2.166649559533899
Energy: 1.8743808134373223
Energy: 1.9017381626093952
Energy: 1.8743808134373223
Energy: 2.14925886059081
Energy: 2.006205596895115
Energy: 1.988105052067297
Energy: 2.006205596895115
Energy: 2.2732220594105423
Energy: 2.2760319529230015
Energy: 2.1584119689817887
Energy: 2.2760319529243898
Energy: 2.278522015303867
Energy: 2.2573150828537623
Energy: 2.158200199398386
Energy: 2.2573150828537623
Energy: 2.1526054807979036
Energy: 2.006917701270605
Energy: 1.9890098439826667
Energy: 2.0069177012678603
Energy: 2.4390731218947312
Energy: 1.874984319243677
Energy: 9.233324062434484
Energy: 1.8749843190660775

minimum gb energy = 1.8723670119291285 eV
minimum distance =  2.46807010449182 Angstroms
sigma value = 17


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

Energy: 3.1884868728233897
Energy: 2.3946741818895365
Energy: 9.377784195250467
Energy: 5.379737230847831
Energy: 2.0282447874044376
Energy: 2.053294927290207
Energy: 2.1911761706194524
Energy: 2.053294927290207
Energy: 1.9812089948243634
Energy: 1.9018864654703473
Energy: 2.3037781929064955
Energy: 1.9018864654712053
Energy: 1.9146840623943113
Energy: 1.9030813297582296
Energy: 2.3046352174902354
Energy: 1.9030813297599458
Energy: 1.9499922735407065
Energy: 1.9066166710941477
Energy: 2.078453762148946
Energy: 1.9066166710915735
Energy: 1.95413319622156
Energy: 1.8749564926001858
Energy: 2.0390664614685363
Energy: 1.8749564926001858
Energy: 1.9547281229866864
Energy: 1.8761869959063668
Energy: 1.967331409549922
Energy: 1.8761869959097992
Energy: 2.08009306419821
Energy: 1.9386676878311329
Energy: 1.9539221056810576
Energy: 1.9386676878345648
Energy: 2.0802760840749364
Energy: 1.9041314056732537
Energy: 1.9448508892709604
Energy: 1.904131405675828
Energy: 2.2213469586276453
Energy: 1.9039068116102065
Energy: 1.9120566316789125
Energy: 1.9039068116127806
Energy: 2.278179365906954
Energy: 1.9558956608340037
Energy: 1.975445941570576
Energy: 1.9558956608348617
Energy: 7.447364690164448
Energy: 2.279507657001727
Energy: 2.2892265154010056
Energy: 2.279507657001727
Energy: 7.048951980249155
Energy: 2.281613054206262
Energy: 2.537811598282711
Energy: 2.281613054204546
Energy: 2.214662465279849
Energy: 2.189847444836584
Energy: 2.0065061786788867
Energy: 2.189847444837442
Energy: 2.3129477095803574
Energy: 2.0215102691092595
Energy: 4.910974497458523
Energy: 2.021510269108401
Energy: 2.3411201177095173
Energy: 1.9376736673001365
Energy: 1.9359295629580755
Energy: 1.9376736672992783
Energy: 2.07659607837935
Energy: 2.06283824248269
Energy: 2.035524300474815
Energy: 2.0628382424852645
Energy: 1.9049071534271995
Energy: 1.8929971658265412
Energy: 2.06792309936705
Energy: 1.8929971658265412
Energy: 1.9100401650703127
Energy: 1.8769869611545413
Energy: 2.052560689251503
Energy: 1.8769869611562575
Energy: 1.964562110375678
Energy: 2.08804262331568
Energy: 2.073404137827185
Energy: 2.08804262331568
Energy: 1.943401777177639
Energy: 1.8803960325864923
Energy: 2.1367007270102403
Energy: 1.8803960325882085
Energy: 1.9444515826556892
Energy: 1.878572283677418
Energy: 2.230331862113418
Energy: 1.8785722836748437
Energy: 2.0472836751597097
Energy: 2.0941909600547617
Energy: 2.082939661404602
Energy: 2.0941909600539033
Energy: 2.4060349533062926
Energy: 2.2552735494383653
Energy: 6.893236088039104
Energy: 2.2552735494400813
Energy: 2.2083591584582627
Energy: 2.043106624372117
Energy: 2.1070690987940246
Energy: 2.043106624370401
Energy: 2.04582131893418
Energy: 2.00840899420778
Energy: 1.9970490129649163
Energy: 2.008408994208638
Energy: 8.857899114577522
Energy: 5.094528463183007
Energy: 2.5079492983774228
Energy: 5.205556292635614
Energy: 2.009790540986436
Energy: 1.9863788447200657
Energy: 2.0608017112796273
Energy: 1.98637884471835
Energy: 2.1791797274315514
Energy: 1.8811560150266229
Energy: 2.0460259472753886
Energy: 1.8811560150274809
Energy: 2.1366889300194343
Energy: 1.8794712790622436
Energy: 1.8957881971670671
Energy: 1.8794712790631016
Energy: 2.067833775470178
Energy: 1.8832540768321704
Energy: 1.9008933038109501
Energy: 1.8832540768330286
Energy: 2.0716161636909374
Energy: 1.8809329261162666
Energy: 1.901086665431256
Energy: 1.8809329261162666
Energy: 2.0681930326690265
Energy: 1.8861014963635956
Energy: 1.9039168039496182
Energy: 1.8861014963670275
Energy: 2.065552257017425
Energy: 1.8744302879110464
Energy: 2.082258916891306
Energy: 1.8744302879119048
Energy: 1.9868379934700822
Energy: 1.9551213900680617
Energy: 2.0778858231846375
Energy: 1.9551213900672038
Energy: 6.737650573894745
Energy: 2.0219383712986816
Energy: 2.407954269922393
Energy: 2.021938371296966
Energy: 1.980795698659905
Energy: 1.9552211543357387
Energy: 2.1432772755080824
Energy: 1.9552211543374547
Energy: 2.060354107429503
Energy: 2.108180212427906
Energy: 5.116210195223528
Energy: 2.108180212429622

minimum gb energy = 1.8744302879110464 eV
minimum distance =  2.44685197690275 Angstroms
sigma value = 89


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

Energy: 3.280525514489735
Energy: 1.8471892757494435
Energy: 7.931536636660496
Energy: 8.025632937391586
Energy: 2.014807904081315
Energy: 1.9284856137677941
Energy: 1.9297905669359023
Energy: 1.9284856137677941
Energy: 8.129042552820342
Energy: 1.7895095187968024
Energy: 1.9681790578502334
Energy: 1.7895095187990473
Energy: 7.269263093035325
Energy: 1.7909935522561462
Energy: 1.967350925689884
Energy: 1.7909935522561462
Energy: 1.8052390182249642
Energy: 1.791072967768466
Energy: 1.992249583744188
Energy: 1.791072967770711
Energy: 1.8702837922368813
Energy: 1.7814777818410417
Energy: 1.9961852836163168
Energy: 1.7814777818432868
Energy: 1.8705877316188149
Energy: 1.7467700711304168
Energy: 1.8699550145213524
Energy: 1.7467700711304168
Energy: 1.992175147503622
Energy: 1.8856694745156528
Energy: 1.8749845680406687
Energy: 1.8856694745134077
Energy: 1.9912569839118428
Energy: 1.7918194383460144
Energy: 1.803442866660797
Energy: 1.7918194383460144
Energy: 2.19714990039346
Energy: 1.791471528349037
Energy: 1.8042136618443145
Energy: 1.791471528349037
Energy: 2.034090543535
Energy: 1.791108578366165
Energy: 1.952268559751878
Energy: 1.7911085783684102
Energy: 1.927043328489973
Energy: 1.9270271640371688
Energy: 2.1905900940923324
Energy: 1.9270271640371688
Energy: 13.393614787058992
Energy: 2.216357416941226
Energy: 2.190294579132909
Energy: 2.216357416941226
Energy: 1.9515284648817688
Energy: 1.9274108887127848
Energy: 1.9523094116622857
Energy: 1.92741088871503
Energy: 2.415676298383467
Energy: 1.7907055362839368
Energy: 7.930999874242
Energy: 1.790705536281692

minimum gb energy = 1.7467700711304168 eV
minimum distance =  2.48339278386292 Angstroms
sigma value = 13


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

Energy: 2.06816094512544
Energy: 1.8042482579627326
Energy: 7.077623513711162
Energy: 7.370457492406505
Energy: 2.014328825321042
Energy: 1.7454117842411851
Energy: 1.9067753848531288
Energy: 1.7454117842411851
Energy: 7.439505575785642
Energy: 1.7405431959454098
Energy: 2.004425524203562
Energy: 1.7405431959463509
Energy: 7.0984220968994
Energy: 1.740938943988658
Energy: 1.995312100187122
Energy: 1.7409389439877596
Energy: 1.8796068285484022
Energy: 1.7429123081553175
Energy: 1.9623979002506604
Energy: 1.7429123081543765
Energy: 1.8862930584137902
Energy: 1.6549194295187366
Energy: 1.8349767676740487
Energy: 1.6549194295187366
Energy: 1.8896840785748565
Energy: 1.6534227086634072
Energy: 1.7724987442575344
Energy: 1.6534227086624662
Energy: 1.905607581556284
Energy: 1.7833096692454544
Energy: 1.7595637680541734
Energy: 1.7833096692454544
Energy: 1.9046324258740648
Energy: 1.6572942775373103
Energy: 1.7532285028822525
Energy: 1.6572942775373103
Energy: 1.8806113681881635
Energy: 1.6597569742104217
Energy: 1.7537866238020376
Energy: 1.6597569742104217
Energy: 1.8838740111664243
Energy: 1.805153018409786
Energy: 1.9681742109703615
Energy: 1.805153018410727
Energy: 1.7725166225329714
Energy: 1.7408799364459784
Energy: 1.963987075350063
Energy: 1.7408799364450374
Energy: 1.7748633073990145
Energy: 1.7428471451690077
Energy: 2.187188779176191
Energy: 1.7428471451718306
Energy: 1.9212379630136267
Energy: 1.7432395239971514
Energy: 2.0292139959979614
Energy: 1.7432395239962106
Energy: 2.1833663316440073
Energy: 1.9053089016048455
Energy: 11.721070302627481
Energy: 1.9053089016020226
Energy: 2.1897326005218143
Energy: 1.7413801739406851
Energy: 7.3180803914472685
Energy: 1.7413801739388033
Energy: 1.9200502737761427
Energy: 1.9058535613727285
Energy: 1.922005036255577
Energy: 1.9058535613661414
Energy: 7.326598243074861
Energy: 7.699397227906042
Energy: 1.9960187164734167
Energy: 7.6989320262828524
Energy: 7.2072910742605245
Energy: 1.744124380449153
Energy: 2.015870147014074
Energy: 1.7441243804482123
Energy: 2.024767903540479
Energy: 1.7422983285160194
Energy: 7.2268680606655264
Energy: 1.7422983285169602
Energy: 2.0689025359052486
Energy: 1.7417710755102338
Energy: 7.034876517826844
Energy: 1.7417710755092926
Energy: 1.9631373039156084
Energy: 1.7411896299609513
Energy: 1.7808329056897108
Energy: 1.7411896299609513
Energy: 1.837509308587597
Energy: 1.6557374401347806
Energy: 1.880817436239063
Energy: 1.6557374401347806
Energy: 1.7677980854455975
Energy: 1.655989418668604
Energy: 1.7579468030366936
Energy: 1.655989418669545
Energy: 1.7546191946843221
Energy: 1.6618932235879345
Energy: 1.9059856725691287
Energy: 1.6618932235869934
Energy: 1.7517312604006399
Energy: 1.6579063732751733
Energy: 1.9135884008256017
Energy: 1.6579063732751733
Energy: 1.7633600817876853
Energy: 1.6575479582843722
Energy: 1.882803252335997
Energy: 1.6575479582843722
Energy: 1.9626742243429345
Energy: 1.6545074195819918
Energy: 1.8797321387314774
Energy: 1.65450741958011
Energy: 1.9640365949936145
Energy: 1.7417146284616096
Energy: 1.77502291816999
Energy: 1.7417146284606686
Energy: 1.878751298263947
Energy: 1.7418919825250903
Energy: 1.7793012158941826
Energy: 1.7418919825250903
Energy: 2.025389111925485
Energy: 1.7418886949980046
Energy: 1.9192959057812065
Energy: 1.7418886949980046
Energy: 1.9047594273700825
Energy: 1.7426981412096572
Energy: 2.1880906530558684
Energy: 1.7426981412087161
Energy: 12.126845482769326
Energy: 2.13129885189313
Energy: 2.1832038350771006
Energy: 2.13129885189313
Energy: 1.9220116073423488
Energy: 1.90697171122254
Energy: 1.922089677645229
Energy: 1.9069717113081273
Energy: 2.3740199197953276
Energy: 1.7421562333722038
Energy: 7.250237604733862
Energy: 1.7421562333740859

minimum gb energy = 1.6534227086624662 eV
minimum distance =  2.50410492624692 Angstroms
sigma value = 37


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

Energy: 2.086343481313144
Energy: 1.7308170122686788
Energy: 6.072547753350152
Energy: 6.538262147663433
Energy: 1.6785181714622157
Energy: 1.6713059499648408
Energy: 1.7082741579899043
Energy: 1.6713059499664595
Energy: 6.26952168561975
Energy: 1.670951206017588
Energy: 1.913967848859156
Energy: 1.670951206017588
Energy: 6.174246268616909
Energy: 1.6703770120547718
Energy: 1.9603389166590304
Energy: 1.6703770120547718
Energy: 1.782501202026896
Energy: 1.8311830046729802
Energy: 1.7817193416666366
Energy: 1.8311830046713613
Energy: 1.862519120829739
Energy: 1.563676379717585
Energy: 1.6829615141897734
Energy: 1.563676379717585
Energy: 1.7504354842129453
Energy: 1.5630249127428495
Energy: 1.669607542644771
Energy: 1.5630249127428495
Energy: 1.8152598777686275
Energy: 1.7230741097237825
Energy: 1.6823528156519256
Energy: 1.7230741097237825
Energy: 1.7379273507726418
Energy: 1.5181297691276805
Energy: 1.6995776834788714
Energy: 1.5181297691276805
Energy: 1.7004163306241826
Energy: 1.5191214655853034
Energy: 1.7015221825066187
Energy: 1.5191214655853034
Energy: 1.7144581406161064
Energy: 1.664616937340009
Energy: 1.816046882062825
Energy: 1.664616937340009
Energy: 1.6685159898390078
Energy: 1.563715641881198
Energy: 1.826562157370297
Energy: 1.563715641881198
Energy: 1.6691602618266383
Energy: 1.5636326094280009
Energy: 1.8627128954874543
Energy: 1.56363260942962
Energy: 1.7806207324037568
Energy: 1.7337754758515678
Energy: 1.8535984629732933
Energy: 1.7337754758531865
Energy: 1.8594227865662833
Energy: 1.670036994341233
Energy: 1.7015735500389693
Energy: 1.670036994341233
Energy: 1.8975993233423218
Energy: 1.6699392032962603
Energy: 1.7015909083503338
Energy: 1.6699392032946414
Energy: 1.7809378352353542
Energy: 1.8324292735668837
Energy: 1.7016446559456766
Energy: 1.8324292735668837
Energy: 10.170631479290739
Energy: 2.014373938021394
Energy: 2.1194794266938928
Energy: 2.014373938021394
Energy: 6.563147376129951
Energy: 1.6704731875812242
Energy: 1.9729447701461933
Energy: 1.6704731875796053
Energy: 1.7012525123369302
Energy: 1.6715164323465932
Energy: 1.7016098724384305
Energy: 1.6715164323465932

minimum gb energy = 1.5181297691276805 eV
minimum distance =  2.50743336369795 Angstroms
sigma value = 25


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

Energy: 2.052391322800549
Energy: 1.618001090103477
Energy: 10.18618869002159
Energy: 5.382647425237073
Energy: 1.568389276488797
Energy: 1.7575294212754833
Energy: 1.5964717238309376
Energy: 1.7575294212754833
Energy: 5.301101675055484
Energy: 1.5678796683361158
Energy: 1.830304349204891
Energy: 1.5678796683361158
Energy: 5.184073471331583
Energy: 1.5665318449480143
Energy: 1.761520301638165
Energy: 1.5665318449480143
Energy: 1.728614074301349
Energy: 1.7415335745792255
Energy: 1.6522068123099043
Energy: 1.741533574576697
Energy: 1.758581326237441
Energy: 1.4640140889075444
Energy: 1.5653842554091084
Energy: 1.4640140889075444
Energy: 1.7608184920703154
Energy: 1.4636606921585313
Energy: 1.5661083419776949
Energy: 1.4636606921585313
Energy: 1.7002691019781997
Energy: 1.5905024090308155
Energy: 1.6587534808361
Energy: 1.5905024090320794
Energy: 1.5677331139133757
Energy: 1.3833139356292636
Energy: 1.6923012998195615
Energy: 1.383313935630528
Energy: 1.5694694469810648
Energy: 1.3811744555482945
Energy: 1.6689621243059949
Energy: 1.3811744555482945
Energy: 1.5787235646048907
Energy: 1.666689161725218
Energy: 1.6670154154623762
Energy: 1.666689161725218
Energy: 1.5892171015023577
Energy: 1.3525876491157387
Energy: 1.589282701215786
Energy: 1.3525876491157387
Energy: 1.6371027066341124
Energy: 1.352047524244888
Energy: 1.5897165568852216
Energy: 1.3520475242461523
Energy: 1.6692136464385543
Energy: 1.3817440077839949
Energy: 1.5687958812670704
Energy: 1.3817440077839949
Energy: 1.6913789772433117
Energy: 1.3811256409668042
Energy: 1.5676805182095048
Energy: 1.3811256409668042
Energy: 1.692884496913834
Energy: 1.3854530107341587
Energy: 1.6331516042123135
Energy: 1.3854530107341587
Energy: 1.6525081220998739
Energy: 1.4673218205909553
Energy: 1.7011695524591648
Energy: 1.4673218205909553
Energy: 1.5682635220566132
Energy: 1.4639827780122954
Energy: 1.6924587694318465
Energy: 1.46398277801356
Energy: 1.6500734929802714
Energy: 1.4668965238807863
Energy: 1.837856856908096
Energy: 1.4668965238820504
Energy: 1.650336821709098
Energy: 1.7574167493780852
Energy: 1.5929895715880835
Energy: 1.7574167493793496
Energy: 1.8268036773427532
Energy: 1.5668599965980845
Energy: 8.476883677375012
Energy: 1.5668599965968202
Energy: 1.6527254189227498
Energy: 1.5673118346054797
Energy: 1.5915924517015572
Energy: 1.5673118346054797
Energy: 1.6499655444285193
Energy: 1.7572928519615802
Energy: 1.9414367422014691
Energy: 1.7572928519615802
Energy: 8.650351012591216
Energy: 1.842062028422905
Energy: 1.8275647902568906
Energy: 1.8420620284254334
Energy: 5.861518459280322
Energy: 1.6200074053394036
Energy: 1.5908425669233892
Energy: 1.620007405340668
Energy: 1.8269620153423385
Energy: 1.5671439756969117
Energy: 5.827878656878996
Energy: 1.5671439756969117

minimum gb energy = 1.352047524244888 eV
minimum distance =  2.52108045010636 Angstroms
sigma value = 41


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

Energy: 1.9968606735417362
Energy: 1.5152944366611127
Energy: 9.189723032714326
Energy: 5.133456277732245
Energy: 1.4742284364993747
Energy: 1.6325840153391613
Energy: 1.5666379715151515
Energy: 1.6325840153412339
Energy: 5.0849205564035875
Energy: 1.521077915757972
Energy: 1.7370880096480061
Energy: 1.521077915757972
Energy: 4.7312787857800656
Energy: 1.4751591310285583
Energy: 1.7063779827932617
Energy: 1.4751591310275216
Energy: 1.6472084393609945
Energy: 1.5194666502281022
Energy: 1.4715176560476415
Energy: 1.5194666502281022
Energy: 1.6439517071468854
Energy: 1.3857896822350242
Energy: 4.917252722773392
Energy: 1.3857896822350242
Energy: 1.7063593966448265
Energy: 1.3857155239322974
Energy: 4.521234128877719
Energy: 1.3857155239302243
Energy: 1.5792257344650118
Energy: 1.7083068239277472
Energy: 1.626173687049261
Energy: 1.7083068239267107
Energy: 1.4631781618631556
Energy: 1.2993841160284063
Energy: 1.6120540980528997
Energy: 1.2993841160263337
Energy: 1.4621644693704292
Energy: 1.3027612240828308
Energy: 1.6117159304746989
Energy: 1.3027612240849038
Energy: 1.5421436991318664
Energy: 1.249179462420855
Energy: 1.5999707840163921
Energy: 1.249179462418782
Energy: 1.5704651089493984
Energy: 1.24668226178325
Energy: 1.4859140884304265
Energy: 1.24668226178325
Energy: 1.565972688253191
Energy: 1.248166195836719
Energy: 1.4807136223862807
Energy: 1.2481661958377557
Energy: 1.5593691603210493
Energy: 1.2292524837356724
Energy: 1.4860124431838382
Energy: 1.229252483736709
Energy: 1.5181204137030868
Energy: 1.2283014289148178
Energy: 1.5189336026129883
Energy: 1.2283014289148178
Energy: 1.5079041368512107
Energy: 1.2281557034778718
Energy: 1.5667214793283561
Energy: 1.228155703475846
Energy: 1.4777817878198378
Energy: 1.2480904742498728
Energy: 1.5612075285934885
Energy: 1.2480904742498728
Energy: 1.4938311842532976
Energy: 1.2489493973911339
Energy: 1.5704932040400643
Energy: 1.2489493973911339
Energy: 1.5711066117323131
Energy: 1.2489585151046552
Energy: 1.5715801912155862
Energy: 1.2489585151056914
Energy: 1.5690958111239772
Energy: 1.3031882617283055
Energy: 1.5187677968391502
Energy: 1.3031882617272692
Energy: 1.6632598466781539
Energy: 1.3053408444182188
Energy: 1.4631589355407582
Energy: 1.3053408444171821
Energy: 1.665218685071959
Energy: 1.3049435949600248
Energy: 1.5780043799893897
Energy: 1.3049435949600248
Energy: 1.4654919262147885
Energy: 1.3893132082102362
Energy: 1.580173315910055
Energy: 1.3893132082092
Energy: 1.4686322988778684
Energy: 1.3856053985626788
Energy: 1.6621172428246915
Energy: 1.385605398560606
Energy: 1.5389681959687558
Energy: 1.385422349108717
Energy: 1.7847557047849272
Energy: 1.3854223491076807
Energy: 1.740198290122197
Energy: 1.4744443391321198
Energy: 1.4965957006836075
Energy: 1.4744443391310837
Energy: 1.7797156661191877
Energy: 1.4743147684766689
Energy: 7.406070691395452
Energy: 1.474314768474596
Energy: 1.4707977041381024
Energy: 1.4996820474825512
Energy: 1.4934906234874763
Energy: 1.4996820474804784
Energy: 7.599961192958933
Energy: 1.4739997586025675
Energy: 1.7790963245185538
Energy: 1.4739997586015312
Energy: 7.610226860416887
Energy: 1.4740744672269879
Energy: 1.6630090396681947
Energy: 1.4740744672280246
Energy: 1.578950730749643
Energy: 1.6497921069195356
Energy: 1.4935989378574401
Energy: 1.6497921069205723
Energy: 1.8546115115569386
Energy: 5.212001939795816
Energy: 9.930738170445522
Energy: 5.1973518519115185

minimum gb energy = 1.228155703475846 eV
minimum distance =  1.58295116623344 Angstroms
sigma value = 15


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

Energy: 1.8222488931085719
Energy: 1.4255910279718487
Energy: 8.969425767202944
Energy: 4.677925144040247
Energy: 1.3924635280771993
Energy: 1.4307018712830488
Energy: 5.059058933644307
Energy: 1.4307018712602209
Energy: 4.820703228130029
Energy: 1.3797026248171596
Energy: 1.3782806267484198
Energy: 1.3797026248180375
Energy: 5.7039239057395195
Energy: 1.3931080316839335
Energy: 1.6647585418032085
Energy: 1.3931080316830555
Energy: 1.5046244746061261
Energy: 1.4491686935618489
Energy: 1.3862064998595784
Energy: 1.449168693564483
Energy: 1.5737608470618472
Energy: 1.320543463007468
Energy: 4.214723765028831
Energy: 1.320543463007468
Energy: 1.5939724277740315
Energy: 1.3175397160744196
Energy: 4.547422259331522
Energy: 1.3175397160744196
Energy: 1.479567843648957
Energy: 1.476545900552867
Energy: 1.5930639650277771
Energy: 1.4765459005537451
Energy: 1.3737189446803428
Energy: 1.2387425274119757
Energy: 1.5937508579935593
Energy: 1.2387425274093418
Energy: 1.3753780237469413
Energy: 1.2414107476561973
Energy: 1.5608679830236942
Energy: 1.2414107476561973
Energy: 1.5186808819106297
Energy: 1.1844911102346207
Energy: 1.463942300555564
Energy: 1.1844911102337425
Energy: 1.5096839295352353
Energy: 1.183280403613736
Energy: 1.3853113997616329
Energy: 1.1832804036128584
Energy: 1.4991415653412572
Energy: 1.1818167146075391
Energy: 1.3865507284531633
Energy: 1.1818167146084173
Energy: 1.4985975205366564
Energy: 1.145742585361559
Energy: 1.4552640145230076
Energy: 1.145742585362437
Energy: 1.4144144545166601
Energy: 1.146445220779326
Energy: 1.482369872593097
Energy: 1.146445220781082
Energy: 1.4241163564042132
Energy: 1.1446990242014699
Energy: 1.4753960960377859
Energy: 1.1446990242041037
Energy: 1.4405137881840724
Energy: 1.1323737311948148
Energy: 1.4835930414621536
Energy: 1.1323737311974487
Energy: 1.4470091641025284
Energy: 1.1337167450625438
Energy: 1.448191395768642
Energy: 1.1337167450616659
Energy: 1.4842534689282716
Energy: 1.1322662479311552
Energy: 1.440314279948251
Energy: 1.1322662479302774
Energy: 1.4781612485167268
Energy: 1.1451260461152373
Energy: 1.4242257088015229
Energy: 1.1451260461178712
Energy: 1.4824605567335678
Energy: 1.1469958368455888
Energy: 1.4163675703022005
Energy: 1.146995836844711
Energy: 1.482195018984207
Energy: 1.1456439782505514
Energy: 1.4771203325134703
Energy: 1.1456439782496732
Energy: 1.3854678759184527
Energy: 1.1823828240617866
Energy: 1.4998870738656818
Energy: 1.1823828240617866
Energy: 1.3843778671354472
Energy: 1.1828437325150707
Energy: 1.5540930786111313
Energy: 1.1828437325133148
Energy: 1.463358676648473
Energy: 1.1845345930649132
Energy: 1.4775871959351297
Energy: 1.1845345930666693
Energy: 1.4627554933061668
Energy: 1.2449183516962667
Energy: 1.375352982399832
Energy: 1.2449183516971447
Energy: 1.553158315098015
Energy: 1.2379436640961448
Energy: 1.3739122278080327
Energy: 1.237943664095267
Energy: 1.5948595220624369
Energy: 1.2422770288010845
Energy: 1.4789164588772852
Energy: 1.2422770288019622
Energy: 1.3855754601736197
Energy: 1.3171672459036923
Energy: 1.6320889367874751
Energy: 1.3171672459019363
Energy: 1.3852824285990404
Energy: 1.3182860796969769
Energy: 1.6326780398129939
Energy: 1.3182860796978548
Energy: 1.3907524447905848
Energy: 1.6885978547308662
Energy: 1.4784454251407622
Energy: 1.6885978547317442
Energy: 1.632119962641328
Energy: 1.3929421886261848
Energy: 6.315105077732352
Energy: 1.3929421886226727
Energy: 1.5895134473487251
Energy: 1.3929695314688302
Energy: 6.828389942618402
Energy: 1.3929695314697084
Energy: 1.3863750407085549
Energy: 1.3818538145733585
Energy: 1.4150964812066935
Energy: 1.3818538145742363
Energy: 9.616015773006952
Energy: 1.5840159871204493
Energy: 1.6881633457433427
Energy: 1.5840159871195716
Energy: 5.045874970803952
Energy: 1.3816718035857132
Energy: 1.3884106980042226
Energy: 1.381671803584835
Energy: 1.6056074518352046
Energy: 1.396621003653069
Energy: 7.261234628638096
Energy: 1.396621003654825

minimum gb energy = 1.1322662479302774 eV
minimum distance =  2.52686487750088 Angstroms
sigma value = 85


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

Energy: 1.7412761877765917
Energy: 1.3143676000464586
Energy: 6.935188284314515
Energy: 3.5746040893314444
Energy: 1.2896322851749296
Energy: 1.2374266236783757
Energy: 4.011612075169883
Energy: 1.2374266238328888
Energy: 7.757973141732441
Energy: 1.2297191131043914
Energy: 1.4347460031820376
Energy: 1.22971911310363
Energy: 6.598079337888379
Energy: 3.6567587837408175
Energy: 1.5248945364189368
Energy: 3.6034834081736733
Energy: 1.3928888342425807
Energy: 1.3527995841102949
Energy: 1.2860248950684472
Energy: 1.3527995841179097
Energy: 1.4131579097400249
Energy: 1.2295037806695455
Energy: 3.958772510184676
Energy: 1.2295037806687839
Energy: 1.523036920516345
Energy: 1.227168221126181
Energy: 3.660833709855008
Energy: 1.2271682211254196
Energy: 1.3234511521701768
Energy: 1.3531095567337668
Energy: 1.3510962426598314
Energy: 1.3531095567345284
Energy: 3.905774567846542
Energy: 1.1583268947183463
Energy: 1.523230711292088
Energy: 1.1583268947175844
Energy: 1.2749079840484525
Energy: 1.1601401125238577
Energy: 1.4117633026648693
Energy: 1.1601401125246191
Energy: 1.4540330030825102
Energy: 1.1022889047614943
Energy: 1.353963088667882
Energy: 1.1022889047614943
Energy: 1.4696584381327802
Energy: 1.1021787117444013
Energy: 1.2762676543932236
Energy: 1.102178711745163
Energy: 1.353215806954244
Energy: 1.1039182475227252
Energy: 1.2763241877622309
Energy: 1.1039182475242484
Energy: 1.3539158949081362
Energy: 1.0640158886748794
Energy: 1.4055624122812398
Energy: 1.0640158886748794
Energy: 1.296241033347103
Energy: 1.0648880372495562
Energy: 1.4120170507894854
Energy: 1.0648880372503176
Energy: 1.295645492897192
Energy: 1.0641732081538797
Energy: 1.3670343836885028
Energy: 1.0641732081546413
Energy: 1.3951722247742728
Energy: 1.0412938151387527
Energy: 1.3679353687191587
Energy: 1.0412938151387527
Energy: 1.405566391706721
Energy: 1.0431095637944114
Energy: 1.329198773078812
Energy: 1.0431095637928884
Energy: 1.3861413261282076
Energy: 1.0416156580982723
Energy: 1.3490792256094426
Energy: 1.0416156580982723
Energy: 1.391516027139537
Energy: 1.0341543969322968
Energy: 1.3647125805397837
Energy: 1.0341543969322968
Energy: 1.3734215074648297
Energy: 1.0345125601679965
Energy: 1.3730113400392674
Energy: 1.0345125601672351
Energy: 1.306944984541916
Energy: 1.0342363605494793
Energy: 1.3891124480321664
Energy: 1.0342363605494793
Energy: 1.3312678928150052
Energy: 1.041446811153929
Energy: 1.400386814708518
Energy: 1.0414468111546906
Energy: 1.3297380806488928
Energy: 1.0415390189205433
Energy: 1.4049795146534065
Energy: 1.0415390189213045
Energy: 1.4018838714361264
Energy: 1.0419622914961089
Energy: 1.3247096401030087
Energy: 1.0419622914961089
Energy: 1.3670913080816498
Energy: 1.0658296786073054
Energy: 1.2974354083380808
Energy: 1.065829678608067
Energy: 1.4410124684768448
Energy: 1.0647587333831978
Energy: 1.2970905645336859
Energy: 1.0647587333831978
Energy: 1.36183431395241
Energy: 1.0622824572324965
Energy: 1.3535528885052135
Energy: 1.0622824572233933
Energy: 1.2780338924637387
Energy: 1.1025222038001532
Energy: 1.5027339419059969
Energy: 1.1025222038001532
Energy: 1.2762459130638402
Energy: 1.1038088898168998
Energy: 1.5068532522849034
Energy: 1.1038088898168998
Energy: 1.3547497634390886
Energy: 1.1612074840284636
Energy: 1.3273046137027154
Energy: 1.1612074840284636
Energy: 1.5024910357304722
Energy: 1.15805327185041
Energy: 1.2762252974146533
Energy: 1.1580532718511367
Energy: 1.4889604514581352
Energy: 1.1587414662325841
Energy: 1.2748019135849926
Energy: 1.1587414662318225
Energy: 1.3717884796362414
Energy: 1.3009747344987037
Energy: 1.367757872629229
Energy: 1.3009747344971807
Energy: 6.151435669336387
Energy: 1.2278338439871896
Energy: 1.5029621229054813
Energy: 1.2278338439871896
Energy: 1.285745858142476
Energy: 1.2272072148828894
Energy: 1.2757077318453116
Energy: 1.2272072148836508
Energy: 1.2753520017836284
Energy: 1.2812396463051543
Energy: 1.3238690088906646
Energy: 1.2812396463059157
Energy: 1.5574897247823563
Energy: 1.2915020205289416
Energy: 4.8940046311653465
Energy: 1.291502020571585
Energy: 1.2856664064113728
Energy: 1.3232338513234065
Energy: 6.278112613082613
Energy: 1.3232338571370925
Energy: 5.12063337454065
Energy: 1.2275042714009354
Energy: 1.4684563424220225
Energy: 1.227504271401697
Energy: 8.215284337427137
Energy: 1.2268815282794792
Energy: 1.5591740970952346
Energy: 1.2268815279125804
Energy: 4.6435000364775005
Energy: 1.3229181239207033
Energy: 1.4425575223536369
Energy: 1.3229181239366947
Energy: 1.4375811309449782
Energy: 1.2864605738183912
Energy: 7.60411037891301
Energy: 1.2864605738183912

minimum gb energy = 1.0341543969322968 eV
minimum distance =  2.53856816102289 Angstroms
sigma value = 113


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

Energy: 0.019613164435766908
Energy: 0.020260084220010226
Energy: 2.3904951659012648
Energy: 0.7487884277531118
Energy: 0.02016840693489575
Energy: 45.888153032774866
Energy: 28.01245565060057
Energy: 46.05096304951167
Energy: 28.161155302516644
Energy: 1.169891315073115
Energy: 0.020351609104622005
Energy: 1.1054159779559256
Energy: 2.472680912075318
Energy: 0.7738116226931261
Energy: 0.01983955867231833
Energy: 0.8531272309390195
Energy: 27.74542027090374
Energy: 46.34484779325206
Energy: 27.804493805387878
Energy: 46.24565219842633
Energy: 0.020352609699550044
Energy: 1.0853751656396684
Energy: 1.258193255953407
Energy: 1.0129812207861104

minimum gb energy = 0.019613164435766908 eV
minimum distance =  2.59650639633993 Angstroms
sigma value = 1