Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.589836478233337
cohesive_energy=3.5173113226742925
mass=63.546
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=[1.60183216602369e-19, 2.2777824770251198e-19, 2.7910397617270196e-19, 3.2072692294738797e-19, 3.5557907126679e-19, 3.85594248328146e-19, 4.1186994512574594e-19, 4.34487872667924e-19, 4.54202656149294e-19, 4.71478926793716e-19, 4.8663711992799e-19, 4.99920766400484e-19, 5.11533342643716e-19, 5.21643077204256e-19, 5.304021768623339e-19, 5.37958041868278e-19, 5.444260289397359e-19, 5.498445903159239e-19, 5.54247371706156e-19, 5.5771127758886395e-19, 5.60310008089212e-19, 5.621060480959259e-19, 5.631522694379279e-19, 5.63490328707702e-19, 5.631282367884179e-19, 5.61961852198866e-19, 5.59853387748522e-19, 5.56649034480522e-19, 5.5218216602493e-19, 5.46274940775372e-19, 5.3869183876665e-19, 5.29019498427192e-19, 5.167756645901639e-19, 5.014941038550719e-19, 4.826300761663559e-19, 4.59494645571396e-19, 4.3121783015793e-19, 3.9673097811107997e-19, 3.5471069153116195e-19, 3.0334010211521998e-19, 2.4032649509999997e-19, 1.6283081349005399e-19, 6.73990848978048e-20, -5.0561490215772e-20, -1.9900475753250598e-19, -3.8691764622783e-19, -6.2697978218322e-19, -9.375216682682698e-19, -1.3445370181929959e-18, -1.88837344613142e-18, -2.62814646334824e-18, -3.6521295936703194e-18, -5.08014962755452e-18, -6.99587222882832e-18]
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: -1.33896697780266e-24 eV

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

Energy: 0.013755587487115353
Energy: 0.014036983498554935
Energy: 0.6460549149018385
Energy: 0.11266567063049328
Energy: 0.014036983498554935
Energy: 0.7828436678997308
Energy: 0.11266567062989258
Energy: 0.7828436678997308
Energy: 0.6460549149018385
Energy: 0.11266567062989258
Energy: 0.013755587487115353
Energy: 0.014036983498554935
Energy: 0.11266567062989258
Energy: 0.7828436678997308
Energy: 0.014036983498554935
Energy: 0.7828436678990949

minimum gb energy = 0.013755587487115353 eV
minimum distance =  2.50586972491783 Angstroms
sigma value = 1


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

Energy: 1.2885276700413981
Energy: 0.8438665637043683
Energy: 0.896022890164922
Energy: 0.8943958689082232
Energy: 0.8825435846760852
Energy: 0.9301583926161198
Energy: 0.8628372753357939
Energy: 0.9301583926161198
Energy: 0.8952212948751018
Energy: 0.8944024771113616
Energy: 0.8633484757474728
Energy: 0.8944024771113616
Energy: 0.8641766166590663
Energy: 0.8616500355751303
Energy: 0.8628809891778698
Energy: 0.8616500355751303
Energy: 0.9081637298999958
Energy: 0.8632075742715148
Energy: 0.8640125375610461
Energy: 0.8632075742715148
Energy: 0.8651832050888634
Energy: 0.9596514587613799
Energy: 0.8631952247985918
Energy: 0.9596514587613799
Energy: 0.9102904911189076
Energy: 0.9426775802442178
Energy: 0.907993400981351
Energy: 0.9426775802442178
Energy: 0.9103566557436955
Energy: 0.9094046102176556
Energy: 0.9448563801890645
Energy: 0.9094046102168843
Energy: 0.9282207165934974
Energy: 0.9936499615334795
Energy: 0.9290199433063178
Energy: 0.9936499615342509
Energy: 0.9416045962385409
Energy: 0.9750736191646683
Energy: 0.9298788980238045
Energy: 0.9750736191646683
Energy: 0.9262007095983978
Energy: 0.9930715850933381
Energy: 0.9288889234497617
Energy: 0.9930715850941094
Energy: 0.9103888357136589
Energy: 0.9925790491781726
Energy: 0.948476488800781
Energy: 0.9925790491781726
Energy: 0.9277711097424194
Energy: 0.9432240139008999
Energy: 0.8821098136458929
Energy: 0.9432240139008999
Energy: 0.8676211220395983
Energy: 0.944584208869738
Energy: 0.9132031736127796
Energy: 0.944584208869738
Energy: 0.8823448907925943
Energy: 0.8621775889786673
Energy: 0.8616190313943959
Energy: 0.8621775889786673
Energy: 0.8942858126680561
Energy: 0.8629096021742212
Energy: 0.8622278836042464
Energy: 0.8629096021742212
Energy: 0.8953686872797775
Energy: 0.8942070752154138
Energy: 0.8397857791233303
Energy: 0.8942070752154138
Energy: 0.8629094546509202
Energy: 0.8624416970236395
Energy: 0.8826862327851537
Energy: 0.8624416970236395
Energy: 0.8623784641870718
Energy: 0.8947562975669432
Energy: 0.8973540527518107
Energy: 0.8947562975669432
Energy: 0.9186034131317732
Energy: 0.8625714406934554
Energy: 0.8636082181480871
Energy: 0.8625714406934554
Energy: 0.8625714101866186
Energy: 0.8628565853557638
Energy: 0.9086395293243887
Energy: 0.8628565853557638
Energy: 0.8634813916811055
Energy: 0.8626709702597279
Energy: 0.9206202269278833
Energy: 0.8626709702604993
Energy: 0.908589496846597
Energy: 0.9440915959248848
Energy: 0.9094234850989834
Energy: 0.9440915959248848
Energy: 0.944824148754722
Energy: 0.944438406740717
Energy: 0.9103294507829867
Energy: 0.944438406740717
Energy: 0.9302136186279635
Energy: 0.9944773394394844
Energy: 0.9279898908687314
Energy: 0.9944773394402557
Energy: 0.9312311971197265
Energy: 0.9910285425926673
Energy: 0.9435683590825753
Energy: 0.9910285425926673
Energy: 0.9286974441304834
Energy: 0.9925356218249783
Energy: 0.926665577183401
Energy: 0.9925356218249783
Energy: 0.9456344913413832
Energy: 0.9930010317351524
Energy: 0.9355886917250783
Energy: 0.9930010317351524
Energy: 0.8823339013464698
Energy: 0.9443995535985177
Energy: 0.9313269724860722
Energy: 0.9443995535985177
Energy: 0.9130189587641518
Energy: 0.9439666048293325
Energy: 0.9199076132612262
Energy: 0.9439666048293325
Energy: 0.8615856220450775
Energy: 0.861799017658693
Energy: 0.8822643042596344
Energy: 0.861799017658693
Energy: 0.8620767055097541
Energy: 0.8640735972992886
Energy: 0.893787222078125
Energy: 0.8640735972992886
Energy: 0.8393576746964613
Energy: 0.8950971996175144
Energy: 0.8963692719039635
Energy: 0.8950971996175144

minimum gb energy = 0.8393576746964613 eV
minimum distance =  2.3087402324783 Angstroms
sigma value = 1


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

Energy: 1.4512612067492987
Energy: 0.8849786092770563
Energy: 0.9437444397294207
Energy: 0.9423764646727711
Energy: 0.9335890951949912
Energy: 0.9777148583470388
Energy: 0.9083141575168566
Energy: 0.9777148583470388
Energy: 0.9430849317080696
Energy: 0.9426129650227587
Energy: 0.9078726760897943
Energy: 0.9426129650227587
Energy: 0.9103254463088256
Energy: 0.9072570808000735
Energy: 0.9081015818926184
Energy: 0.9072570808000735
Energy: 0.9089636135908961
Energy: 0.9086317733806956
Energy: 0.9073554725325796
Energy: 0.9086317733806956
Energy: 0.911138308026632
Energy: 0.9098698257929163
Energy: 0.9090143900817479
Energy: 0.9098698257911573
Energy: 0.9659848471738296
Energy: 1.0020881096520056
Energy: 0.961918968400299
Energy: 1.0020881096520056
Energy: 0.9641584218658139
Energy: 1.0046731436255363
Energy: 0.9441291465695146
Energy: 1.0046731436255363
Energy: 0.9636685809385694
Energy: 1.0511212228216371
Energy: 0.9780483509517962
Energy: 1.0511212228216371
Energy: 1.0011121845025888
Energy: 1.0406645226351274
Energy: 0.9647290552918959
Energy: 1.0406645226351274
Energy: 0.9338325355656661
Energy: 1.0027726496151874
Energy: 0.9659842508199771
Energy: 1.0027726496151874
Energy: 0.9669892654857367
Energy: 1.0029028930953692
Energy: 0.9114749529711701
Energy: 1.0029028930953692
Energy: 0.9079519835430746
Energy: 0.908267193644444
Energy: 0.9330124824358181
Energy: 0.908267193644444
Energy: 0.9078734005516346
Energy: 0.9081470649643795
Energy: 0.8801103399315284
Energy: 0.9081470649643795
Energy: 0.8797366715190766
Energy: 0.9424227734539837
Energy: 0.9429404445175168
Energy: 0.9424227734539837
Energy: 0.9339393542153419
Energy: 0.9105316436139701
Energy: 0.9082763031621472
Energy: 0.9105316436139701
Energy: 0.9420602510982159
Energy: 0.9429907541277402
Energy: 0.9089459525703455
Energy: 0.9429907541277402
Energy: 0.9100788457776242
Energy: 0.9083121561915406
Energy: 0.908837111313457
Energy: 0.9083121561915406
Energy: 0.9074566110340668
Energy: 0.9106798584750745
Energy: 0.9086412835148895
Energy: 0.9106798584750745
Energy: 0.9112413036646415
Energy: 0.9085470060272395
Energy: 0.9099125150957442
Energy: 0.9085470060272395
Energy: 0.9631764818728875
Energy: 1.0043764259668537
Energy: 0.9618168781602501
Energy: 1.0043764259668537
Energy: 0.9621907306062498
Energy: 1.003154142671227
Energy: 0.9445210212852939
Energy: 1.003154142671227
Energy: 0.9638700027098445
Energy: 1.051556018683772
Energy: 0.9780428702601692
Energy: 1.051556018683772
Energy: 1.0003528383778233
Energy: 1.0507774088444606
Energy: 0.9655796045395187
Energy: 1.0507774088444606
Energy: 0.934793617540559
Energy: 1.002005159072447
Energy: 0.9963320129939
Energy: 1.002005159072447
Energy: 0.9676959053243271
Energy: 1.0017255493324313
Energy: 0.911565727234933
Energy: 1.0017255493324313
Energy: 0.9078870824215294
Energy: 0.9082138857675851
Energy: 0.933268323640286
Energy: 0.9082138857667056
Energy: 0.9084275518184954
Energy: 0.9082968583716651
Energy: 0.880391828137497
Energy: 0.9082968583725447
Energy: 0.8795139190624562
Energy: 0.9426451328544849
Energy: 0.9439337858367118
Energy: 0.9426451328544849

minimum gb energy = 0.8795139190624562 eV
minimum distance =  2.31289117764006 Angstroms
sigma value = 25


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

Energy: 1.3931268138964468
Energy: 0.9294118456167961
Energy: 0.994991710755601
Energy: 0.9953701050900491
Energy: 0.9951639083194924
Energy: 1.0286536555080685
Energy: 0.9609887591735506
Energy: 1.0286536555090908
Energy: 0.9945686113452773
Energy: 0.9958470963450498
Energy: 0.9584343982064079
Energy: 0.9958470963450498
Energy: 0.9631753604434969
Energy: 1.0293936897242886
Energy: 0.9609065183706946
Energy: 1.0293936897242886
Energy: 0.9589782571581721
Energy: 0.9611783500744098
Energy: 0.9600959967463382
Energy: 0.9611783500744098
Energy: 0.9626626764411564
Energy: 0.961913121735164
Energy: 0.9600119260806779
Energy: 0.961913121735164
Energy: 1.013428740987017
Energy: 1.0743279296879926
Energy: 1.011113552878821
Energy: 1.0743279296879926
Energy: 1.0124818552396346
Energy: 1.0752565814874238
Energy: 0.9386667070613347
Energy: 1.0752565814874238
Energy: 1.0134345134952096
Energy: 1.074080830101028
Energy: 0.9958187366739001
Energy: 1.074080830101028
Energy: 0.9627965682462355
Energy: 1.074473862958041
Energy: 0.960321392542728
Energy: 1.074473862958041
Energy: 0.9216203275432133
Energy: 0.961541723612311
Energy: 0.9608112895277264
Energy: 0.961541723612311
Energy: 0.9224841126426709
Energy: 0.9605040728808703
Energy: 0.960852236558792
Energy: 0.9605040728818927
Energy: 0.9942862657691176
Energy: 0.995405097938288
Energy: 0.9215547503570176
Energy: 0.995405097938288
Energy: 0.9609885779454298
Energy: 0.9631920553970363
Energy: 0.9962127753733386
Energy: 0.9631920553970363
Energy: 0.9587309007545575
Energy: 0.9961353565861786
Energy: 0.9959350018839044
Energy: 0.9961353565861786
Energy: 0.9957477762925829
Energy: 0.9608467827222916
Energy: 0.9633904747115634
Energy: 0.9608467827222916
Energy: 0.9626092822591725
Energy: 0.9636831158167534
Energy: 0.9594152940514642
Energy: 0.9636831158167534
Energy: 0.9640227826630092
Energy: 0.9609241098656411
Energy: 0.9625409604480715
Energy: 0.9609241098656411
Energy: 1.011122042229811
Energy: 1.0761694106799167
Energy: 1.017461206663762
Energy: 1.0761694106799167
Energy: 0.9388936764258641
Energy: 1.075615843505239
Energy: 1.0142097703387092
Energy: 1.075615843505239
Energy: 0.9968539108227935
Energy: 1.074051547456545
Energy: 1.0134462501676667
Energy: 1.074051547456545
Energy: 0.9973991130181561
Energy: 1.0741051712888394
Energy: 0.9648885531196774
Energy: 1.0741051712888394
Energy: 0.9607375432959936
Energy: 0.9612411205137634
Energy: 0.9220043728592136
Energy: 0.9612411205137634
Energy: 0.9601957704984455
Energy: 0.9605535180977338
Energy: 0.9223554432272265
Energy: 0.9605535180977338
Energy: 0.9213494133363528
Energy: 0.9628621577104284
Energy: 0.9953391762983069
Energy: 0.9628621577104284

minimum gb energy = 0.9213494133363528 eV
minimum distance =  2.29078383715039 Angstroms
sigma value = 9


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

Energy: 1.3032826835772249
Energy: 0.9748838076321996
Energy: 1.052769719049369
Energy: 1.0529986511142686
Energy: 1.0636386806170692
Energy: 1.0811504431350911
Energy: 1.0218842472801843
Energy: 1.0811504431350911
Energy: 1.052507058129537
Energy: 1.0539407827122405
Energy: 1.0500742533770473
Energy: 1.0539407827122405
Energy: 1.0162860692117468
Energy: 1.0822136883574656
Energy: 1.0220689800326763
Energy: 1.0822136883586853
Energy: 1.0175329792979952
Energy: 1.0217876527345129
Energy: 1.020342354165694
Energy: 1.0217876527345129
Energy: 1.0179324072084994
Energy: 1.022720165641375
Energy: 1.0225645332341222
Energy: 1.022720165641375
Energy: 1.0692805369535014
Energy: 1.1482516966488636
Energy: 1.0211281956367901
Energy: 1.1482516966488636
Energy: 1.023137683745546
Energy: 1.1473701179894031
Energy: 1.021601833965983
Energy: 1.1473701179894031
Energy: 1.0192904861176717
Energy: 1.021913297218583
Energy: 0.9636495206972506
Energy: 1.021913297218583
Energy: 1.022209213086065
Energy: 1.021758541696419
Energy: 0.9637925422071774
Energy: 1.021758541696419
Energy: 0.9626485144546115
Energy: 1.0526561909474426
Energy: 1.0518505959823443
Energy: 1.0526561909474426
Energy: 1.0636050904696024
Energy: 1.0177702069669194
Energy: 1.0219582909733071
Energy: 1.0177702069669194
Energy: 1.0547266921356817
Energy: 1.0531882944093711
Energy: 1.0498346544927408
Energy: 1.0531882944081516
Energy: 1.053510530933456
Energy: 1.0212974870856044
Energy: 1.0497982959505345
Energy: 1.021297487086824
Energy: 1.0176985565844527
Energy: 1.0195336912749455
Energy: 1.023049265685559
Energy: 1.0195336912749455
Energy: 1.0183833797126995
Energy: 1.0222508577100367
Energy: 1.022647536617453
Energy: 1.0222508577100367
Energy: 1.0649115055533938
Energy: 1.1497159458245931
Energy: 1.0218922824970655
Energy: 1.1497159458245931
Energy: 1.0640289254431223
Energy: 1.1478048876466713
Energy: 1.0223274894198109
Energy: 1.1478048876466713
Energy: 1.0194047148630703
Energy: 1.0220738913274836
Energy: 0.9635255448597497
Energy: 1.0220738913262637
Energy: 1.0222461174195228
Energy: 1.0218680631223256
Energy: 0.9637184002824732
Energy: 1.0218680631223256
Energy: 0.9625306129176088
Energy: 1.0164792063382186
Energy: 1.0538005250741447
Energy: 1.0164792063382186

minimum gb energy = 0.9625306129176088 eV
minimum distance =  2.3148622977528 Angstroms
sigma value = 25


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

Energy: 1.1709369641866327
Energy: 1.0150605414710843
Energy: 1.1146917160390963
Energy: 1.115429454652041
Energy: 1.1105657165330292
Energy: 1.091181695200691
Energy: 1.034167958770209
Energy: 1.091181695200691
Energy: 1.1142489709115317
Energy: 1.11661591186279
Energy: 1.1106430757196002
Energy: 1.11661591186279
Energy: 1.1167347868225388
Energy: 1.091350436668674
Energy: 1.034607993565356
Energy: 1.091350436668674
Energy: 1.0308266234362369
Energy: 1.094359259786183
Energy: 1.0346225175582775
Energy: 1.0943592597967415
Energy: 1.0080063447866137
Energy: 1.035147408394157
Energy: 1.0321889844883823
Energy: 1.035147408394157
Energy: 1.0035392176280393
Energy: 1.0344165749307732
Energy: 1.0362810688383188
Energy: 1.0344165749307732
Energy: 1.0039598495466242
Energy: 1.0923316813280823
Energy: 1.0370527854836697
Energy: 1.0923316813280823
Energy: 1.1133766808042882
Energy: 1.115270232720691
Energy: 1.21221787295679
Energy: 1.115270232720691
Energy: 1.139853181846531
Energy: 1.009204538648854
Energy: 1.108823541711778
Energy: 1.009204538648854
Energy: 1.110185017681426
Energy: 1.1151748564637158
Energy: 1.1182575234411443
Energy: 1.1151748564637158
Energy: 1.1100903536075424
Energy: 1.093261097771965
Energy: 1.116114145080161
Energy: 1.093261097771965
Energy: 1.0333152377922792
Energy: 1.1566609104589463
Energy: 1.0300943483905018
Energy: 1.1566609104589463
Energy: 1.0344532206932457
Energy: 1.0359608459154401
Energy: 1.0097770702572038
Energy: 1.0359608459154401
Energy: 1.0361914741577747
Energy: 1.0343390048132752
Energy: 1.0037860062431552
Energy: 1.0343390048117669
Energy: 1.0333537070761787
Energy: 1.149379940877049
Energy: 1.004276281648737
Energy: 1.149379940877049
Energy: 1.2137877130443624
Energy: 1.0091652974447596
Energy: 1.116962286119164
Energy: 1.0091652974447596

minimum gb energy = 1.0035392176280393 eV
minimum distance =  2.34783163973958 Angstroms
sigma value = 17


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

Energy: 1.5799920294710232
Energy: 1.151506107971506
Energy: 1.2129896507906535
Energy: 1.2145417413081163
Energy: 1.0301733863727975
Energy: 1.110015318197731
Energy: 1.1658766728868892
Energy: 1.110015318197731
Energy: 1.0909650468881447
Energy: 1.0912372475664631
Energy: 1.2284832930420015
Energy: 1.0912372475664631
Energy: 1.091500432989191
Energy: 1.0919639579842384
Energy: 1.1041957379975473
Energy: 1.091963957985947
Energy: 1.0928984970513662
Energy: 1.1764654992244956
Energy: 1.032564206414311
Energy: 1.1764654992253498
Energy: 1.0933817160537558
Energy: 1.1481701486393225
Energy: 1.091529254642525
Energy: 1.1481701486393225
Energy: 1.1430647353383878
Energy: 1.089138680550184
Energy: 1.0909533771117463
Energy: 1.089138680550184
Energy: 1.2772240644297306
Energy: 1.1056399020837735
Energy: 1.0512886222190256
Energy: 1.1056399020837735
Energy: 1.215812736186288
Energy: 1.2140728587057286
Energy: 1.1614688935227704
Energy: 1.2140728587057286
Energy: 1.2206449450251233
Energy: 1.1757654098111834
Energy: 1.1760978223166496
Energy: 1.1757654098111834
Energy: 1.0890640299055405
Energy: 1.05532811497501
Energy: 1.0490030855307086
Energy: 1.05532811497501
Energy: 1.1625275813791898
Energy: 1.0539900841920151
Energy: 1.0539791105129173
Energy: 1.0539900841843657
Energy: 1.1457968823517497
Energy: 1.0790681277849754
Energy: 1.0775406216915875
Energy: 1.0790681277849754
Energy: 1.1456258100510566
Energy: 1.05371628568907
Energy: 1.0500021058860145
Energy: 1.0537162856882158
Energy: 1.2167673310354412
Energy: 1.1656804921257016
Energy: 1.2748252670258284
Energy: 1.1656804921257016
Energy: 1.2166140791928883
Energy: 1.215651517991823
Energy: 1.2753488808505473
Energy: 1.215651517991823
Energy: 1.2176916230802635
Energy: 1.0900844388109605
Energy: 1.0920596793263522
Energy: 1.0900844388118147
Energy: 1.2175468707565393
Energy: 1.0904680841549395
Energy: 1.0883298399440104
Energy: 1.0904680841549395
Energy: 1.0915120221077643
Energy: 1.1758384465828393
Energy: 1.0902060136378657
Energy: 1.1758384465828393
Energy: 1.1221231852896771
Energy: 1.1496819366331197
Energy: 1.0897487407665731
Energy: 1.1496819366339739
Energy: 1.0904355518909423
Energy: 1.1071882752688387
Energy: 1.2547884311131594
Energy: 1.1071882752688387
Energy: 1.0913283959119633
Energy: 1.0911544022803743
Energy: 1.1430308063909966
Energy: 1.0911544022803743
Energy: 1.1629401284095189
Energy: 1.1753203913726527
Energy: 1.1655618235238454
Energy: 1.1753203913726527
Energy: 1.1625061910405015
Energy: 1.2138322595767272
Energy: 1.2143919956996634
Energy: 1.2138322595767272
Energy: 1.052553023956504
Energy: 1.07827326860864
Energy: 1.2191042525683795
Energy: 1.07827326860864
Energy: 1.054222745228945
Energy: 1.0772516692533818
Energy: 1.0897258544864543
Energy: 1.0772516692533818
Energy: 1.0486918996401786
Energy: 1.0525718851629557
Energy: 1.1649726434668861
Energy: 1.0525718851629557
Energy: 1.0576857821249346
Energy: 1.0534491364118783
Energy: 1.1447895436031386
Energy: 1.0534491364323417
Energy: 1.0514679763568648
Energy: 1.1082539182229794
Energy: 1.1448555255450434
Energy: 1.1082539182229794
Energy: 1.316174277781205
Energy: 1.21360040194434
Energy: 1.212723648497432
Energy: 1.21360040194434

minimum gb energy = 1.0301733863727975 eV
minimum distance =  2.2946341817913 Angstroms
sigma value = 53


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

Energy: 1.6407426477318654
Energy: 1.087364732233697
Energy: 1.2056582729733127
Energy: 1.2035166871760568
Energy: 1.2438759591382376
Energy: 1.166854742603824
Energy: 1.209129715594712
Energy: 1.166854742603824
Energy: 1.2513525268517562
Energy: 1.2515205474437265
Energy: 1.2290255252307476
Energy: 1.2515205474437265
Energy: 1.2551570248049275
Energy: 1.1683585819565558
Energy: 1.0845972100243721
Energy: 1.1683585819565558
Energy: 1.2542338917117584
Energy: 0.9843943255673026
Energy: 1.08673255399439
Energy: 0.9843943255673026
Energy: 1.2989510614888604
Energy: 0.9959581270866777
Energy: 1.0854331718225874
Energy: 0.9959581270886444
Energy: 1.289755000573491
Energy: 0.9827262107129363
Energy: 1.080136241301571
Energy: 0.9827262107129363
Energy: 1.291547697739491
Energy: 0.9824279014539227
Energy: 1.0840199419635879
Energy: 0.9824279014539227
Energy: 1.25129757427954
Energy: 1.2519987157178463
Energy: 1.2265931503409095
Energy: 1.2519987157178463
Energy: 1.281326376665477
Energy: 0.9963461753773135
Energy: 1.0831056528686245
Energy: 0.9963461753773135
Energy: 1.279046738442935
Energy: 1.1724853434279345
Energy: 1.0836244116120455
Energy: 1.1724853434279345
Energy: 1.2766329676656425
Energy: 1.2317536476145885
Energy: 1.0927390684587266
Energy: 1.2317536476145885
Energy: 1.2405887222156242
Energy: 1.0836834042957395
Energy: 1.2050670682554951
Energy: 1.0836834042957395

minimum gb energy = 0.9824279014539227 eV
minimum distance =  2.33566472368109 Angstroms
sigma value = 9


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

Energy: 1.404281419464624
Energy: 1.2057629370994185
Energy: 1.2760720428803738
Energy: 1.2764539902495344
Energy: 1.1290449804189182
Energy: 1.0698084854010173
Energy: 1.283742690010828
Energy: 1.0698084854010173
Energy: 1.0735555008362199
Energy: 1.0708732636284934
Energy: 1.3093053309856553
Energy: 1.0708732636277656
Energy: 1.0715935936477594
Energy: 1.0712029226967592
Energy: 1.349902186897216
Energy: 1.071202922697487
Energy: 1.0691986002527596
Energy: 1.0685101483548387
Energy: 1.351038095197101
Energy: 1.0685101483548387
Energy: 1.0690426816955283
Energy: 1.0695991990832876
Energy: 1.3651057255563164
Energy: 1.0695991990832876
Energy: 1.273732901076181
Energy: 1.2691177984216635
Energy: 1.2779782444813514
Energy: 1.2691177984216635
Energy: 1.277889425629439
Energy: 1.182560830883327
Energy: 1.2693884456413131
Energy: 1.182560830883327
Energy: 1.1295781190117946
Energy: 1.1964210611912651
Energy: 1.1399978108738864
Energy: 1.1964210611912651
Energy: 1.064035239625101
Energy: 1.1477571892789866
Energy: 1.2734481665380137
Energy: 1.1477571892789866
Energy: 1.1301682744257342
Energy: 1.1305381546934195
Energy: 1.1868121279748145
Energy: 1.1305381546934195
Energy: 1.1340356058324557
Energy: 1.2033762581192664
Energy: 1.3493028792282564
Energy: 1.2033762581199945
Energy: 1.2762112798646237
Energy: 1.1312565233777547
Energy: 1.1464825994661823
Energy: 1.1312565233777547
Energy: 1.2767088289011133
Energy: 1.1306773290234207
Energy: 1.133114759673985
Energy: 1.1306773290234207
Energy: 1.2700038228637127
Energy: 1.1444347567935087
Energy: 1.1314030965276896
Energy: 1.144434756791325
Energy: 1.2149460390313491
Energy: 1.2009547767810873
Energy: 1.1317761348913287
Energy: 1.2009547767810873
Energy: 1.280279642346534
Energy: 1.0732772737454326
Energy: 1.1320754332005296
Energy: 1.0732772737454326
Energy: 1.274468499385287
Energy: 1.2734610293998072
Energy: 1.4025955164454176
Energy: 1.2734610293990793
Energy: 1.2837576694723998
Energy: 1.0701521944314638
Energy: 1.0657165461441434
Energy: 1.0701521944314638
Energy: 1.3133386616363094
Energy: 1.0726638759401754
Energy: 1.0742413485427422
Energy: 1.0726638759394476
Energy: 1.2797677080934664
Energy: 1.070375930171013
Energy: 1.0704590733575545
Energy: 1.070375930171013
Energy: 1.351278320789735
Energy: 1.0686965176815924
Energy: 1.068555251664971
Energy: 1.06869651768232
Energy: 1.351889061818292
Energy: 1.069323916909617
Energy: 1.0682332997753146
Energy: 1.0693239169103448
Energy: 1.2792437703803186
Energy: 1.268472579622604
Energy: 1.2788465884430884
Energy: 1.268472579622604
Energy: 1.268889620553384
Energy: 1.2708527606939586
Energy: 1.2783082813552737
Energy: 1.2708527606939586
Energy: 1.1381872316001234
Energy: 1.194811323355177
Energy: 1.1292275258088245
Energy: 1.194811323355177
Energy: 1.275729455227364
Energy: 1.1471880271898578
Energy: 1.0637022888250687
Energy: 1.1471880271898578
Energy: 1.1868347581197543
Energy: 1.1317895165025014
Energy: 1.1296015156333685
Energy: 1.1317895165025014
Energy: 1.3969695380640312
Energy: 1.1346773251493198
Energy: 1.1328282423073683
Energy: 1.134677325148592
Energy: 1.1386153295078274
Energy: 1.1334672909997974
Energy: 1.2759607996904947
Energy: 1.1334672909997974
Energy: 1.1336351042312283
Energy: 1.1317842508976688
Energy: 1.2666864068935733
Energy: 1.1317842508976688
Energy: 1.135272108467903
Energy: 1.128919132804676
Energy: 1.2703750773456186
Energy: 1.128919132804676
Energy: 1.132628481600417
Energy: 1.2017721130250223
Energy: 1.2093803557946359
Energy: 1.2017721130250223
Energy: 1.1318154777949663
Energy: 1.0733063366108517
Energy: 1.1902874812495263
Energy: 1.0733063366108517
Energy: 1.3476508806078493
Energy: 1.2707735417532837
Energy: 1.2723826609484823
Energy: 1.2707735417532837

minimum gb energy = 1.0637022888250687 eV
minimum distance =  2.30152688990277 Angstroms
sigma value = 73


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

Energy: 1.4690344910992668
Energy: 1.1328973294888787
Energy: 1.224890338917872
Energy: 1.2258634995313116
Energy: 1.1403373496097025
Energy: 1.092465782963553
Energy: 1.213067983728505
Energy: 1.092465782963553
Energy: 1.0892697167246939
Energy: 1.089333273363206
Energy: 1.2689863270409283
Energy: 1.089333273363206
Energy: 1.086756816391764
Energy: 1.0893940426056985
Energy: 1.3376283507195716
Energy: 1.0893940426056985
Energy: 1.091101138208498
Energy: 1.092084356340045
Energy: 1.2787883614478202
Energy: 1.092084356340045
Energy: 1.0914176400144038
Energy: 1.0936600669873773
Energy: 1.278173345793292
Energy: 1.0936600669873773
Energy: 1.1367931188319707
Energy: 1.2501789847575386
Energy: 1.2663761961382984
Energy: 1.2501789847563838
Energy: 1.1355853306838823
Energy: 1.2510610747073156
Energy: 1.250639033749537
Energy: 1.2510610747073156
Energy: 1.1333457944240177
Energy: 1.2158840869208838
Energy: 1.2536361286640687
Energy: 1.2158840869208838
Energy: 1.1350190704185377
Energy: 1.2095972038111376
Energy: 1.2480761706001633
Energy: 1.2095972038111376
Energy: 1.142161941907086
Energy: 1.0760658954580886
Energy: 1.0698387850970266
Energy: 1.0760658954580886
Energy: 1.1274508221049748
Energy: 1.0736486979681592
Energy: 1.331159460433053
Energy: 1.0736486979681592
Energy: 1.2541807755297065
Energy: 1.1579704059037799
Energy: 1.1243115805025936
Energy: 1.1579704059037799
Energy: 1.2544447109329901
Energy: 1.1340081405126885
Energy: 1.1299650914146295
Energy: 1.1340081405126885
Energy: 1.2727751714818796
Energy: 1.1270606708381659
Energy: 1.123283572222671
Energy: 1.1270606708381659
Energy: 1.2823681350234721
Energy: 1.1274007218115094
Energy: 1.129399479904664
Energy: 1.1274007218115094
Energy: 1.2785452301559046
Energy: 1.2009310672745914
Energy: 1.1328283426811456
Energy: 1.2009310672745914
Energy: 1.2255201026447389
Energy: 1.2153301637869625
Energy: 1.1372688932442143
Energy: 1.2153301637869625
Energy: 1.2172134530726852
Energy: 1.170426092548512
Energy: 1.136005470148061
Energy: 1.170426092548512
Energy: 1.2191663021880916
Energy: 1.164953713085457
Energy: 1.2103543172523081
Energy: 1.164953713085457
Energy: 1.2168353458195547
Energy: 1.1705591236557091
Energy: 1.1331648652053237
Energy: 1.1705591236557091
Energy: 1.2803090192696551
Energy: 1.214596815002725
Energy: 1.2137464934310525
Energy: 1.214596815002725

minimum gb energy = 1.0698387850970266 eV
minimum distance =  2.25940138404574 Angstroms
sigma value = 7


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

Energy: 1.6685769377295971
Energy: 1.0918972325446572
Energy: 1.2275790366413621
Energy: 1.2285598442386623
Energy: 1.187299374578214
Energy: 1.0899932696948573
Energy: 1.1968834487321183
Energy: 1.0899932696948573
Energy: 1.0860272460398557
Energy: 1.0850859536306534
Energy: 1.1862969436321043
Energy: 1.0850859536306534
Energy: 1.0830639698886169
Energy: 1.084525669030629
Energy: 1.3238197349091083
Energy: 1.084525669030629
Energy: 1.0880951315622145
Energy: 1.0890557143728334
Energy: 1.27925287559493
Energy: 1.0890557143728334
Energy: 1.0869596484986985
Energy: 1.0973346281585108
Energy: 1.27941441165879
Energy: 1.0973346281585108
Energy: 1.1921988777113592
Energy: 1.0859639844318902
Energy: 1.0842690935719856
Energy: 1.0859639844318902
Energy: 1.1930786925516828
Energy: 1.0964269569207041
Energy: 1.095852242017515
Energy: 1.0964269569198877
Energy: 1.19748190833296
Energy: 1.0853905722260089
Energy: 1.0851423553372024
Energy: 1.0853905722260089
Energy: 1.2850689919462714
Energy: 1.086115324502276
Energy: 1.08788280359519
Energy: 1.086115324502276
Energy: 1.199227457668521
Energy: 1.1965196030612268
Energy: 1.0819687728078407
Energy: 1.1965196030612268
Energy: 1.202591201110441
Energy: 1.202273742939124
Energy: 1.1905768771367655
Energy: 1.202273742939124
Energy: 1.193353635825793
Energy: 1.153712506134885
Energy: 1.2040449034785772
Energy: 1.153712506134885
Energy: 1.1892409740504313
Energy: 1.1499636041839736
Energy: 1.091846315959207
Energy: 1.1499636041839736
Energy: 1.2040598875525845
Energy: 1.152063570786799
Energy: 1.0973612386837703
Energy: 1.152063570786799
Energy: 1.090004212492187
Energy: 1.2016241846887985
Energy: 1.2024883739801349
Energy: 1.2016241846896152
Energy: 1.090074486776437
Energy: 1.1965802272281518
Energy: 1.2010790291547948
Energy: 1.1965802272281518
Energy: 1.0892750492404226
Energy: 1.0860574019704612
Energy: 1.1869681679803192
Energy: 1.0860574019712779
Energy: 1.0831606671994907
Energy: 1.0856329050742894
Energy: 1.1977265597482594
Energy: 1.0856329050742894
Energy: 1.0935962458558217
Energy: 1.0965206665565579
Energy: 1.0927218134096037
Energy: 1.0965206665565579
Energy: 1.0840522992552972
Energy: 1.0860374803427635
Energy: 1.2799021593387465
Energy: 1.0860374803435802
Energy: 1.192503649064472
Energy: 1.0976782157009417
Energy: 1.0870338357486915
Energy: 1.0976782157009417
Energy: 1.1929212964621896
Energy: 1.090632900293943
Energy: 1.0876505094941702
Energy: 1.090632900293943
Energy: 1.3240651803531054
Energy: 1.084369245419509
Energy: 1.083265861448415
Energy: 1.084369245419509
Energy: 1.2841812713951197
Energy: 1.0854245398750857
Energy: 1.0852864589362339
Energy: 1.0854245398759024
Energy: 1.2876942583651187
Energy: 1.0888091173625012
Energy: 1.0895136891453996
Energy: 1.0888091173625012
Energy: 1.2276698432527966
Energy: 1.228178983408997
Energy: 1.4734334205319572
Energy: 1.228178983408997
Energy: 1.1992252157823564
Energy: 1.1567217947812989
Energy: 1.201938221437487
Energy: 1.1567217947812989
Energy: 1.1897809219278772
Energy: 1.151038891001824
Energy: 1.1927798703136132
Energy: 1.151038891001824
Energy: 1.208922855564401
Energy: 1.1549962893356083
Energy: 1.0913767253180402
Energy: 1.1549962893347918
Energy: 1.090248080913542
Energy: 1.2041438035932304
Energy: 1.2030024524540317
Energy: 1.2041438035940468

minimum gb energy = 1.0819687728078407 eV
minimum distance =  2.26871941384881 Angstroms
sigma value = 29


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

Energy: 1.0095321207816077
Energy: 1.0117569076849744
Energy: 1.0356235015769117
Energy: 1.219968530135033
Energy: 1.0159705195975606
Energy: 1.119706907967154
Energy: 1.036812828267369
Energy: 1.119706907967154
Energy: 1.0303847527452317
Energy: 1.0938735678388707
Energy: 1.0145203649689114
Energy: 1.0938735678385865
Energy: 1.015973350789328
Energy: 1.0328156247561864
Energy: 1.032373133638297
Energy: 1.0328156247559017
Energy: 1.0290341255047017
Energy: 1.037263683495611
Energy: 1.0168389891928815
Energy: 1.037263683498961
Energy: 1.0322259771208762
Energy: 1.100960689104802
Energy: 1.0161123751465688
Energy: 1.100960689104802
Energy: 1.013245496397623
Energy: 1.0929378980207203
Energy: 1.0299476347632501
Energy: 1.0929378980207203
Energy: 1.0352796606761447
Energy: 1.0371839959260645
Energy: 1.0171217639246555
Energy: 1.0371839959260645
Energy: 1.0160420704777267
Energy: 1.0344627762034904
Energy: 1.0366584326519992
Energy: 1.0344627762034904

minimum gb energy = 1.0095321207816077 eV
minimum distance =  2.31299878811951 Angstroms
sigma value = 5


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

Energy: 1.434483339382412
Energy: 1.0039521815232644
Energy: 1.1734990059749109
Energy: 1.0159533087288912
Energy: 1.1012648137365577
Energy: 1.016601327715723
Energy: 1.1873802366599955
Energy: 1.016601327715723
Energy: 1.1924125795736307
Energy: 1.0960573548027817
Energy: 1.1897695221029891
Energy: 1.0960573548027817
Energy: 1.1096175997056825
Energy: 1.0997274888871815
Energy: 1.1787702429310163
Energy: 1.0997274888871815
Energy: 1.1042186093212514
Energy: 1.0149734526972929
Energy: 1.1155184524549877
Energy: 1.0149734526965215
Energy: 1.0153742051976145
Energy: 1.0271817309766351
Energy: 1.1166826054367924
Energy: 1.0271817309766351
Energy: 1.0132704944150273
Energy: 1.013098749491512
Energy: 1.2034713876982843
Energy: 1.013098749491512
Energy: 1.0238624933983915
Energy: 1.0178511712095404
Energy: 1.2706996481725867
Energy: 1.0178511712095404
Energy: 1.0830096763965984
Energy: 1.0583269155766208
Energy: 1.2686785563553382
Energy: 1.0583269155766208
Energy: 1.2665432058465314
Energy: 1.001712286680447
Energy: 1.0078038994358212
Energy: 1.001712286680447
Energy: 1.0822840529361872
Energy: 0.9993776670198445
Energy: 1.0024781280164992
Energy: 0.9993776670198445
Energy: 1.2669153212777768
Energy: 1.0040693566133188
Energy: 1.0083714804168395
Energy: 1.0040693566133188
Energy: 1.2672574575922542
Energy: 0.9991238394282154
Energy: 1.008910064623949
Energy: 0.9991238394282154
Energy: 1.0699830823611638
Energy: 0.9896564734506919
Energy: 1.2641099595656384
Energy: 0.9896564734506919
Energy: 1.0768466956321827
Energy: 0.9891007015789036
Energy: 1.2642758211604164
Energy: 0.9891007015796751
Energy: 1.0801361730303018
Energy: 0.9882036515855247
Energy: 1.0287011994288169
Energy: 0.9882036515855247
Energy: 1.0735047334289038
Energy: 0.988494166650255
Energy: 1.0271015561615142
Energy: 0.988494166650255
Energy: 1.2466088132280457
Energy: 0.9907745879257484
Energy: 1.029750547840637
Energy: 0.9907745879257484
Energy: 1.2588975537738265
Energy: 1.072969412121454
Energy: 1.0304751818498912
Energy: 1.072969412121454
Energy: 1.2335322636506794
Energy: 1.1461280854125535
Energy: 1.1078489453139555
Energy: 1.1461280854117821
Energy: 1.1178126611645438
Energy: 1.027239046132091
Energy: 1.0317194591926642
Energy: 1.027239046132091
Energy: 1.1148639298562393
Energy: 1.0208341715342963
Energy: 1.020250255575448
Energy: 1.0208341715342963
Energy: 1.2237654952156172
Energy: 1.0188310697884748
Energy: 1.0204093762230342
Energy: 1.0188310697884748
Energy: 1.2693444441703576
Energy: 1.0221544990284372
Energy: 1.0259209364815873
Energy: 1.022154499027666
Energy: 1.2685217640363724
Energy: 1.1478237529904243
Energy: 1.0642713643747934
Energy: 1.1478237529904243
Energy: 1.0094319126857587
Energy: 0.999703998221743
Energy: 1.26663422502477
Energy: 0.999703998221743
Energy: 1.0007450758469076
Energy: 0.9957961977456015
Energy: 1.0642321044472718
Energy: 0.9957961977456015
Energy: 1.0030517279085298
Energy: 0.9970150460975703
Energy: 1.0477448257109745
Energy: 0.9970150460975703
Energy: 0.9974127866284069
Energy: 0.9949562351510095
Energy: 1.2687282045936912
Energy: 0.9949562351510095
Energy: 1.2638532922735433
Energy: 1.0513920077000622
Energy: 1.03628670111599
Energy: 1.0513920077000622
Energy: 1.2638785232542509
Energy: 1.0142403822764323
Energy: 1.0186051724776373
Energy: 1.0142403822764323
Energy: 1.106643996475088
Energy: 1.0140248703508992
Energy: 1.0181708086594263
Energy: 1.0140248703501278
Energy: 1.019736435572339
Energy: 1.0132736794769437
Energy: 1.0136737153591506
Energy: 1.0132736794769437

minimum gb energy = 0.9882036515855247 eV
minimum distance =  2.27044670380758 Angstroms
sigma value = 1


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

Energy: 1.4259479332819165
Energy: 0.942434796590942
Energy: 1.140546434916278
Energy: 0.9674409035529827
Energy: 0.9872986567734929
Energy: 0.9683583985396922
Energy: 1.1759107878749377
Energy: 0.9683583985396922
Energy: 1.172717711115985
Energy: 1.0703522285146556
Energy: 1.1782061307536174
Energy: 1.0703522285157223
Energy: 0.9860784983302121
Energy: 1.0711416283503667
Energy: 0.9685445409134498
Energy: 1.0711416283503667
Energy: 0.9656581727874799
Energy: 0.9649104417067781
Energy: 1.194989132160535
Energy: 0.9649104417067781
Energy: 0.9646602268633152
Energy: 0.993612913656774
Energy: 1.1957296036365492
Energy: 0.993612913656774
Energy: 0.9622701404440599
Energy: 0.9635651509571587
Energy: 1.1610390694257637
Energy: 0.9635651509571587
Energy: 0.9687908390397277
Energy: 0.969941972565194
Energy: 1.33092972671852
Energy: 0.969941972565194
Energy: 1.1921578502460572
Energy: 1.027931972021488
Energy: 1.1440047811841265
Energy: 1.027931972021488
Energy: 1.2041102941355684
Energy: 0.9723951094682581
Energy: 0.9708137234236177
Energy: 0.9723951094682581
Energy: 1.1619455846588356
Energy: 0.9638818990627703
Energy: 0.9629706236961394
Energy: 0.9638818990627703
Energy: 0.936881446177516
Energy: 0.9747503764270666
Energy: 0.9644398034306202
Energy: 0.9747503764270666
Energy: 0.9410676892411405
Energy: 0.9647768142193927
Energy: 0.964882990492757
Energy: 0.9647768142183262
Energy: 1.158652705940078
Energy: 1.0703929380933541
Energy: 1.200846598071516
Energy: 1.0703929380933541
Energy: 0.9878073390225305
Energy: 1.0692213899300274
Energy: 1.1767604142811434
Energy: 1.0692213899310696
Energy: 0.9849756951036761
Energy: 0.9668261103241609
Energy: 0.9666320457397549
Energy: 0.9668261103241609
Energy: 0.9655584528299872
Energy: 0.966554194200957
Energy: 1.1945884210729343
Energy: 0.966554194200957
Energy: 0.9753543107197432
Energy: 0.9704815619838391
Energy: 0.9613135704212015
Energy: 0.9704815619838391
Energy: 0.9628150122209642
Energy: 0.9660683394019458
Energy: 1.1441050992706459
Energy: 0.9660683394019458
Energy: 0.9684250057647859
Energy: 0.9873768843987528
Energy: 1.3315850220186551
Energy: 0.9873768843987528
Energy: 1.1940901185839425
Energy: 1.0201832017803492
Energy: 0.9672516692239853
Energy: 1.0201832017803492
Energy: 1.19432692379356
Energy: 0.9664843947583645
Energy: 0.9683562269893365
Energy: 0.9664843947583645
Energy: 1.1597110514733928
Energy: 0.9641864826544766
Energy: 0.9648671833706708
Energy: 0.9641864826544766
Energy: 0.9420028399943402
Energy: 0.9647168060932769
Energy: 0.9639542658243857
Energy: 0.9647168060932769

minimum gb energy = 0.936881446177516 eV
minimum distance =  2.28657903526033 Angstroms
sigma value = 17


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

Energy: 1.5115400696325147
Energy: 0.9398936656491559
Energy: 1.1415250649681434
Energy: 0.9575823757663516
Energy: 0.9846999050497873
Energy: 0.9554616033031047
Energy: 1.1092586964442257
Energy: 0.9554616033031047
Energy: 1.239819113185253
Energy: 0.9545567691075908
Energy: 1.1032824075097074
Energy: 0.9545567691095684
Energy: 1.2368552924197653
Energy: 1.0086788148000279
Energy: 1.0741151536669844
Energy: 1.0086788147993686
Energy: 1.060784347504413
Energy: 0.9372404549995413
Energy: 1.0962752373294542
Energy: 0.9372404549995413
Energy: 0.9382024544459403
Energy: 0.9364380417958625
Energy: 1.0716897280194835
Energy: 0.9364380417958625
Energy: 0.9379371136771214
Energy: 0.9364200065491923
Energy: 0.9697851453143232
Energy: 0.9364200065485331
Energy: 0.9464937424443924
Energy: 0.9398966146298297
Energy: 0.937651659499364
Energy: 0.9398966146298297
Energy: 1.2289174221565524
Energy: 0.9405962804720266
Energy: 1.1882659728283578
Energy: 0.9405962804713673
Energy: 1.0990338455979716
Energy: 1.0083112128020402
Energy: 1.0838506601565505
Energy: 1.0083112128007217
Energy: 1.063567120416021
Energy: 0.9515401652990633
Energy: 0.9633593029912231
Energy: 0.9515401652990633
Energy: 1.0687769361408133
Energy: 0.9580354854169436
Energy: 1.0754036400515063
Energy: 0.9580354854162844
Energy: 1.0978517232124885
Energy: 0.9514623856102514
Energy: 0.9526956965121163
Energy: 0.9514623856102514
Energy: 0.9523940393090056
Energy: 0.9513736696992389
Energy: 0.9537498615435276
Energy: 0.9513736696992389
Energy: 1.2339679871302456
Energy: 0.95445663521077
Energy: 0.9616185169189958
Energy: 0.95445663521077
Energy: 0.9369906797991615
Energy: 0.9532831652811702
Energy: 0.9561269886193665
Energy: 0.9532831652811702
Energy: 0.964060549893249
Energy: 1.09475023770999
Energy: 1.1033615503463174
Energy: 1.09475023770999
Energy: 0.9516490982459915
Energy: 0.9520363755027115
Energy: 1.230797014680009
Energy: 0.9520363755027115
Energy: 0.9833308239257443
Energy: 0.9544156859163019
Energy: 1.0762423220994854
Energy: 0.9544156859163019
Energy: 0.9598378664768846
Energy: 0.9534672795081562
Energy: 0.9371280120167896
Energy: 0.9534672795055193
Energy: 1.1086269644093687
Energy: 0.9538509946286241
Energy: 0.9825884732333253
Energy: 0.9538509946286241
Energy: 1.1058609860213646
Energy: 0.9569077801093019
Energy: 1.2381282222836913
Energy: 0.9569077801132573
Energy: 1.0741830161884003
Energy: 1.0060848889063774
Energy: 1.2371522505564183
Energy: 1.0060848889057181
Energy: 1.0985635063671053
Energy: 0.9382740856401526
Energy: 1.0598436514884526
Energy: 0.9382740856401526
Energy: 1.0707480507611713
Energy: 0.9375140197463409
Energy: 0.936793550280561
Energy: 0.9375140197463409
Energy: 1.1025026153213136
Energy: 0.9377461467687409
Energy: 0.9412146132740942
Energy: 0.9377461467694002
Energy: 0.9398033285775323
Energy: 0.9394703878850398
Energy: 0.950001663991325
Energy: 0.9394703878850398
Energy: 1.0770872957511164
Energy: 0.9398764653189758
Energy: 1.2338351419536915
Energy: 0.9398764653189758
Energy: 1.0838254218100447
Energy: 1.008884532296104
Energy: 1.099990140755265
Energy: 1.008884532296104
Energy: 0.9644834910402165
Energy: 0.9512859663533177
Energy: 1.0620380083286143
Energy: 0.9512859663526585
Energy: 1.075106816489414
Energy: 0.9521563043515519
Energy: 1.0959974099963614
Energy: 0.9521563043515519
Energy: 0.9517407467304916
Energy: 0.9517647216750538
Energy: 1.0954192965958949
Energy: 0.9517647216750538
Energy: 0.9516842574636866
Energy: 0.9506793624653945
Energy: 0.9541539231513204
Energy: 0.9506793624653945
Energy: 0.9602296040367488
Energy: 0.9561982581340559
Energy: 1.2338790106908402
Energy: 0.9561982581340559
Energy: 0.9585659226049252
Energy: 0.988263693430935
Energy: 1.097932158068346
Energy: 0.988263693430935
Energy: 1.3746259082710361
Energy: 0.9574637745746869
Energy: 0.961165283377029
Energy: 0.9574637745740276
Energy: 1.2265344101574027
Energy: 0.9511223735626358
Energy: 0.9522449039218859
Energy: 0.9511223735626358
Energy: 1.2184428865845145
Energy: 0.9563533121716374
Energy: 0.9522009706510751
Energy: 0.9563533121709782

minimum gb energy = 0.9364200065485331 eV
minimum distance =  2.28452442837749 Angstroms
sigma value = 89


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

Energy: 1.588997365082978
Energy: 0.9020922048765435
Energy: 0.8761686712381727
Energy: 0.8741470284179362
Energy: 0.8697786401621515
Energy: 0.9607679021802905
Energy: 0.8738093928850101
Energy: 0.9607679021802905
Energy: 0.8642897616638525
Energy: 0.9618417067153369
Energy: 0.8940646647629583
Energy: 0.9618417067153369
Energy: 0.8653937012263319
Energy: 0.9625582534463122
Energy: 0.8723576880591568
Energy: 0.9625582534463122
Energy: 0.8706927418977675
Energy: 0.8714767747253961
Energy: 0.886338892289413
Energy: 0.8714767747253961
Energy: 0.8703057352489452
Energy: 0.8704458508139424
Energy: 0.8853141908499075
Energy: 0.8704458508139424
Energy: 0.8700627023387297
Energy: 0.8691079382815511
Energy: 0.8726554696610563
Energy: 0.8691079382815511
Energy: 0.8739082969280138
Energy: 0.8756147557602232
Energy: 0.8629658505126907
Energy: 0.8756147557602232
Energy: 0.8743493961086324
Energy: 0.8743355588177778
Energy: 0.8732415513602262
Energy: 0.8743355588177778
Energy: 0.891811259658066
Energy: 0.9640329721622406
Energy: 0.891675189775401
Energy: 0.9640329721622406
Energy: 0.8726651648618183
Energy: 0.9629902390173805
Energy: 0.8624501038749776
Energy: 0.9629902390173805
Energy: 0.8848072928788873
Energy: 0.8769962399010807
Energy: 0.8745793536022654
Energy: 0.8769962399010807
Energy: 0.8871845875844108
Energy: 0.8730329031178747
Energy: 0.8712372839473114
Energy: 0.8730329031178747
Energy: 0.8732430700104452
Energy: 0.8687099846053657
Energy: 0.8684349043847267
Energy: 0.8687099846053657
Energy: 0.8633062509004217
Energy: 0.8719729127846654
Energy: 0.8728938320316042
Energy: 0.8719729127846654

minimum gb energy = 0.8624501038749776 eV
minimum distance =  2.30666361324784 Angstroms
sigma value = 13


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

Energy: 1.4160504429552876
Energy: 0.8219681130871206
Energy: 1.0472538693564364
Energy: 0.8278027355215709
Energy: 0.8266489689321646
Energy: 0.8234138487824176
Energy: 0.9914507728159648
Energy: 0.8234138487824176
Energy: 1.349245334601321
Energy: 0.8227224807262162
Energy: 0.9770151871553583
Energy: 0.8227224807269392
Energy: 1.1164984634047168
Energy: 0.8260345950299476
Energy: 0.9629366818912306
Energy: 0.8260345950292246
Energy: 0.9681860752369679
Energy: 0.8243403681955823
Energy: 1.237635085056831
Energy: 0.8243403681955823
Energy: 0.9783896613518627
Energy: 0.8236698629789029
Energy: 1.2363978176236563
Energy: 0.8236698629789029
Energy: 0.9758646722500278
Energy: 0.8228432835242395
Energy: 0.9605801281989632
Energy: 0.8228432835242395
Energy: 0.8280519425782367
Energy: 0.8243539462367019
Energy: 1.2165906987338808
Energy: 0.8243539462359789
Energy: 0.8383378125321058
Energy: 0.8258461229943864
Energy: 1.1435697594094563
Energy: 0.8258461229943864
Energy: 0.8213757619817323
Energy: 0.8222741413438854
Energy: 0.9642651090041702
Energy: 0.8222741413438854
Energy: 0.8237401876483634
Energy: 0.8284861943567663
Energy: 1.4172746265496117
Energy: 0.8284861943567663
Energy: 1.2235013719473689
Energy: 0.8220093602648177
Energy: 0.9645739936326055
Energy: 0.8220093602648177
Energy: 1.2410386399589828
Energy: 0.874629706337323
Energy: 0.9770710764342408
Energy: 0.8746297063366
Energy: 0.9635805733249628
Energy: 0.8772849393141388
Energy: 1.1192626143619568
Energy: 0.8772849393148617
Energy: 1.2179888884058918
Energy: 0.8245547933096561
Energy: 0.9644138395219808
Energy: 0.8245547933096561
Energy: 1.2177267741112492
Energy: 0.8237336748344602
Energy: 0.8256950052337153
Energy: 0.8237336748344602
Energy: 0.96481231437275
Energy: 0.8224940556279224
Energy: 0.8259396559384878
Energy: 0.8224940556279224
Energy: 1.3409155821221106
Energy: 0.824183017817895
Energy: 0.8289671112252724
Energy: 0.824183017817895
Energy: 1.088668228349127
Energy: 0.8248790582016221
Energy: 0.9599440490056209
Energy: 0.8248790582016221
Energy: 0.9632092604993546
Energy: 0.8215286304239157
Energy: 0.9726461346847434
Energy: 0.8215286304239157
Energy: 1.115201601549938
Energy: 0.8291990524759374
Energy: 0.9596683953031219
Energy: 0.8291990524759374
Energy: 0.9638194594877957
Energy: 0.8850439474598986
Energy: 1.2359212861537332
Energy: 0.8850439474598986
Energy: 0.9677984046308038
Energy: 0.8243884160875746
Energy: 1.238378368222033
Energy: 0.8243884160868516
Energy: 0.8261099402676583
Energy: 0.8213366283983032
Energy: 0.9636493823050406
Energy: 0.8213366283990262
Energy: 0.9616901879175872
Energy: 0.8229342822099386
Energy: 1.2170265677862935
Energy: 0.8229342822106616
Energy: 0.8231119440406882
Energy: 0.8378843227293701
Energy: 1.2163825674659252
Energy: 0.8378843227293701
Energy: 0.8218332778471948
Energy: 0.8208122702840975
Energy: 1.1387018030973226
Energy: 0.8208122702848205
Energy: 0.8382874304282203
Energy: 0.8271566405635691
Energy: 1.3420388874334068
Energy: 0.8271566405635691
Energy: 0.9587813464387669
Energy: 0.8252260171170774
Energy: 1.0943352769782329
Energy: 0.8252260171170774
Energy: 0.9709434209510837
Energy: 0.8783022493981253
Energy: 0.959155893455201
Energy: 0.8783022493981253
Energy: 1.1362991608505126
Energy: 0.8829221287357306
Energy: 1.116820144238708
Energy: 0.8829221287357306
Energy: 1.2178586677887107
Energy: 0.8240291198111961
Energy: 0.9590082407996461
Energy: 0.8240291198111961
Energy: 1.2177298343447711
Energy: 0.8247218928288531
Energy: 0.8401388689913136
Energy: 0.8247218928288531
Energy: 1.1376283475887723
Energy: 0.8209406413718333
Energy: 0.8220877706606625
Energy: 0.8209406413725563
Energy: 1.0886443544352522
Energy: 0.8230034936979546
Energy: 0.8273863021609695
Energy: 0.8230034936979546

minimum gb energy = 0.8208122702840975 eV
minimum distance =  2.30007557740911 Angstroms
sigma value = 37


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

Energy: 1.2470902880802175
Energy: 0.7898421888492373
Energy: 0.7526898314409555
Energy: 0.7524452257256251
Energy: 1.2169888643795779
Energy: 0.7494339430879781
Energy: 0.985467759170982
Energy: 0.7494339430879781
Energy: 1.2192629794942993
Energy: 0.7480633760049645
Energy: 0.9938432608734454
Energy: 0.7480633760062082
Energy: 1.2190159797474835
Energy: 0.8463997802836571
Energy: 0.9889377681402145
Energy: 0.8463997802836571
Energy: 1.224735149059916
Energy: 0.8455617055852225
Energy: 0.9921747951285438
Energy: 0.8455617055852225
Energy: 0.9926295058044853
Energy: 0.7496332407909726
Energy: 1.0060142553280054
Energy: 0.7496332407909726
Energy: 0.7444174110228576
Energy: 0.7474281317726993
Energy: 1.2256855632643506
Energy: 0.7474281317726993
Energy: 0.7592257719600132
Energy: 0.7489794416039014
Energy: 1.2179807683261337
Energy: 0.7489794416039014
Energy: 0.747917720786429
Energy: 0.7522935453034453
Energy: 1.2180067505623955
Energy: 0.7522935453034453
Energy: 0.7471036816699902
Energy: 0.7492430631667188
Energy: 1.2284289391798935
Energy: 0.7492430631667188
Energy: 0.7526898311612391
Energy: 0.7524452232813927
Energy: 1.2470902880802175
Energy: 0.7898421888492373
Energy: 0.9854677591697382
Energy: 0.7494339430879781
Energy: 1.2169888643795779
Energy: 0.7494339430879781
Energy: 0.9938432608734454
Energy: 0.7480633760062082
Energy: 1.2192629794942993
Energy: 0.7480633760049645
Energy: 0.9889377681389706
Energy: 0.8463997802836571
Energy: 1.21901597974624
Energy: 0.8463997802836571
Energy: 0.9921747951285438
Energy: 0.8455617055852225
Energy: 1.224735149059916
Energy: 0.8455617055852225
Energy: 1.0060142553280054
Energy: 0.7496332407909726
Energy: 0.9926295058044853
Energy: 0.7496332407909726
Energy: 1.2256855632643506
Energy: 0.7474281317726993
Energy: 0.7444174110228576
Energy: 0.7474281317726993
Energy: 1.2179807683261337
Energy: 0.7489794416039014
Energy: 0.7592257719600132
Energy: 0.7489794416039014
Energy: 1.2180067505623955
Energy: 0.7522935453034453
Energy: 0.747917720786429
Energy: 0.7522935453034453
Energy: 1.2284289391811374
Energy: 0.7492430631667188
Energy: 0.7471036816699902
Energy: 0.7492430631667188

minimum gb energy = 0.7444174110228576 eV
minimum distance =  2.30474654428687 Angstroms
sigma value = 25


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

Energy: 1.4499380945159397
Energy: 0.6724355205872532
Energy: 0.6680121676662544
Energy: 0.6672079517981673
Energy: 1.3373090168208943
Energy: 0.6645892433370487
Energy: 0.8604892264401461
Energy: 0.6645892433370487
Energy: 1.3402650513444145
Energy: 0.6635998989624975
Energy: 0.8608651592279057
Energy: 0.6635998989624975
Energy: 1.0474049504388703
Energy: 0.6704700499744112
Energy: 0.8587522770447225
Energy: 0.6704700499744112
Energy: 1.2045096399115323
Energy: 0.7412284267468421
Energy: 1.1994557182512156
Energy: 0.7412284267478133
Energy: 1.056516871771596
Energy: 0.7397563550623202
Energy: 1.1995533806240573
Energy: 0.7397563550623202
Energy: 1.0529259365061798
Energy: 0.7412101556301647
Energy: 1.1976874164905809
Energy: 0.7412101556301647
Energy: 0.858388296840221
Energy: 0.6706093323518023
Energy: 1.1986580516250909
Energy: 0.6706093323518023
Energy: 0.8633801668457204
Energy: 0.6634785992925741
Energy: 1.3460849563520125
Energy: 0.6634785992925741
Energy: 0.8632652532678482
Energy: 0.6646894601810936
Energy: 1.3451202101465607
Energy: 0.6646894601810936
Energy: 0.664562795250191
Energy: 0.6691653808685847
Energy: 1.2474620768829292
Energy: 0.669165380869556
Energy: 0.6679305673897672
Energy: 0.6644138535695211
Energy: 1.3444154099536954
Energy: 0.6644138535695211
Energy: 0.6656995869118532
Energy: 0.667025379569571
Energy: 1.3372517874865568
Energy: 0.667025379569571
Energy: 0.6784944124946205
Energy: 0.6721558014179229
Energy: 1.3341766292542834
Energy: 0.6721558014179229
Energy: 0.8599191335408317
Energy: 0.6630490282718348
Energy: 1.3415561826885722
Energy: 0.6630490282718348
Energy: 0.8643852363799372
Energy: 0.665264915340565
Energy: 1.3368304786859369
Energy: 0.665264915340565
Energy: 1.0630716954775283
Energy: 0.6673648344662109
Energy: 1.3364870759317924
Energy: 0.6673648344671822
Energy: 0.8554896174903519
Energy: 0.744758192488954
Energy: 1.2015749788501422
Energy: 0.744758192488954
Energy: 1.198141505118593
Energy: 0.7405752942366457
Energy: 1.05362343475976
Energy: 0.7405752942366457
Energy: 1.3444114708083854
Energy: 0.7403846958804886
Energy: 1.056067820870277
Energy: 0.7403846958804886
Energy: 1.2488344481009417
Energy: 0.6687026130461936
Energy: 0.8632519929588471
Energy: 0.6687026130471648
Energy: 1.3439967318144457
Energy: 0.6628463390852891
Energy: 0.6644370956747927
Energy: 0.6628463390852891
Energy: 1.3429741544645863
Energy: 0.666761997426033
Energy: 0.8644418977702049
Energy: 0.666761997426033
Energy: 1.201391251208769
Energy: 0.6721716833703318
Energy: 0.6701492797883466
Energy: 0.6721716833703318
Energy: 1.3415487920656115
Energy: 0.6634109029476954
Energy: 0.6638463156840759
Energy: 0.6634109029476954
Energy: 1.3334856720098731
Energy: 0.6656543643113297
Energy: 0.6695692743844643
Energy: 0.6656543643113297

minimum gb energy = 0.6628463390852891 eV
minimum distance =  2.30345746208882 Angstroms
sigma value = 41


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

Energy: 1.656339705081499
Energy: 0.6223818261620601
Energy: 0.8860541017799259
Energy: 0.6096770225121535
Energy: 1.4193282272547851
Energy: 0.6085833863391992
Energy: 0.7700217328464517
Energy: 0.6085833863391992
Energy: 1.4197667054529761
Energy: 0.6069752171437428
Energy: 0.7708030411983505
Energy: 0.6069752171445391
Energy: 1.2373720290699481
Energy: 0.6128159606970982
Energy: 0.9373384390249806
Energy: 0.6128159606970982
Energy: 1.309715417366426
Energy: 0.60497293641652
Energy: 1.0588291352884156
Energy: 0.60497293641652
Energy: 1.2432540882860474
Energy: 0.6068353576872688
Energy: 1.0598360513390945
Energy: 0.6068353576872688
Energy: 1.2480030806646154
Energy: 0.6722093962263005
Energy: 1.1525625358507379
Energy: 0.6722093962263005
Energy: 1.0681965255179648
Energy: 0.6071001299356849
Energy: 1.1307261728904041
Energy: 0.6071001299555916
Energy: 0.9923043691886084
Energy: 0.6074820039972954
Energy: 1.3020242176071548
Energy: 0.6074820039972954
Energy: 0.9941931424196521
Energy: 0.6037039408577304
Energy: 1.2982670234292701
Energy: 0.6037039408569341
Energy: 0.7626893980048606
Energy: 0.6032673080799776
Energy: 1.3525659919786048
Energy: 0.6032673080799776
Energy: 0.7616018445601795
Energy: 0.6039169155289872
Energy: 1.2974998990636422
Energy: 0.6039169155289872
Energy: 0.7591838129902453
Energy: 0.6073268017355463
Energy: 1.4244067330202568
Energy: 0.6073268017363425
Energy: 0.6953949948196615
Energy: 0.6056596798354014
Energy: 1.3516648864930767
Energy: 0.6056596798361976
Energy: 0.6826718626830324
Energy: 0.6047705118988997
Energy: 1.4098293407335272
Energy: 0.6047705118988997
Energy: 0.6915189531507066
Energy: 0.6036480082248133
Energy: 1.4174572332715119
Energy: 0.6036480082248133
Energy: 0.8554674970609439
Energy: 0.6071390849939153
Energy: 1.4066983775156063
Energy: 0.6071390849939153
Energy: 0.8361569649464052
Energy: 0.6002237730641148
Energy: 1.4115109716480192
Energy: 0.6002237730641148
Energy: 0.8497363410338582
Energy: 0.6036118474752961
Energy: 1.2452928818641977
Energy: 0.6036118474752961
Energy: 1.0419152381028185
Energy: 0.6072091026449853
Energy: 1.2420437445609764
Energy: 0.6072091026449853
Energy: 1.05981647587417
Energy: 0.6042083965912428
Energy: 1.2457800207943186
Energy: 0.6042083965912428
Energy: 1.0416197002265069
Energy: 0.6683025364228794
Energy: 1.2503675596139407
Energy: 0.6683025364228794
Energy: 1.3030488482321851
Energy: 0.6669703133185491
Energy: 1.2403234748808947
Energy: 0.6669703133185491
Energy: 1.129149070373987
Energy: 0.6695797839980392
Energy: 1.0592969529363145
Energy: 0.6695797839972429
Energy: 1.3000530601796114
Energy: 0.6680407472871462
Energy: 0.9924917514092587
Energy: 0.6680407472847575
Energy: 1.360015489220066
Energy: 0.6077578160848565
Energy: 1.0574842643501172
Energy: 0.6077578160840603
Energy: 1.364914140390407
Energy: 0.6103524756872316
Energy: 0.7771057627583122
Energy: 0.6103524756872316
Energy: 1.4170351440625704
Energy: 0.6056608832352378
Energy: 0.7628670416702725
Energy: 0.6056608832352378
Energy: 1.3628489859111255
Energy: 0.6110921200707559
Energy: 0.7773093465844249
Energy: 0.6110921200715522
Energy: 1.3607799758656718
Energy: 0.6116732800423966
Energy: 0.6146108118228174
Energy: 0.6116732800423966
Energy: 1.4174149949534371
Energy: 0.6058783431420476
Energy: 0.6064840834882583
Energy: 0.6058783431412513
Energy: 1.3553952635313202
Energy: 0.6140605309002369
Energy: 0.6099955402752935
Energy: 0.6140605309002369

minimum gb energy = 0.6002237730641148 eV
minimum distance =  2.29813287674356 Angstroms
sigma value = 15


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

Energy: 1.3652781958416338
Energy: 0.5656197781967821
Energy: 0.8461500987936875
Energy: 0.559937069325673
Energy: 1.4679509259893855
Energy: 0.5554458945901224
Energy: 0.6927440772210923
Energy: 0.5554458945901224
Energy: 1.466326372806957
Energy: 0.5545748418463642
Energy: 0.69168348156081
Energy: 0.5545748418463642
Energy: 1.2770820128437035
Energy: 0.5594892238428539
Energy: 0.9543341107042534
Energy: 0.5594892238421795
Energy: 1.3677029538297123
Energy: 0.5519414051794695
Energy: 0.9427617795246624
Energy: 0.5519414051794695
Energy: 1.2675425625922676
Energy: 0.5525995702214842
Energy: 0.9446231563462012
Energy: 0.5525995702214842
Energy: 1.0623452858099844
Energy: 0.5534133811732375
Energy: 1.1621808063424541
Energy: 0.5534133811732375
Energy: 1.1664647808261905
Energy: 0.6103916353018347
Energy: 0.9427645925808179
Energy: 0.6103916353011601
Energy: 1.0577917622118087
Energy: 0.6057785434368926
Energy: 1.160080672218916
Energy: 0.6057785434368926
Energy: 1.0561228804927754
Energy: 0.6061471200048825
Energy: 1.362249294484995
Energy: 0.6061471200035334
Energy: 0.9526047775890896
Energy: 0.5571216870021192
Energy: 1.1712537371137768
Energy: 0.5571216870014446
Energy: 0.8177213791818355
Energy: 0.5510982863541637
Energy: 1.3623962084845993
Energy: 0.5510982863555126
Energy: 0.9450669436270684
Energy: 0.5531574090113978
Energy: 1.3645793168422258
Energy: 0.5531574090113978
Energy: 0.6999844892781764
Energy: 0.5587748625511038
Energy: 1.1707740875274255
Energy: 0.5587748625511038
Energy: 0.6851835855903292
Energy: 0.5520412225638399
Energy: 1.4616050382617674
Energy: 0.5520412225638399
Energy: 0.6968253787338229
Energy: 0.5565956966756817
Energy: 1.3687967330573863
Energy: 0.5565956966750071
Energy: 0.5620925167303706
Energy: 0.5587001372615377
Energy: 1.3729603511489055
Energy: 0.5587001372615377
Energy: 0.5532611993284108
Energy: 0.5523566921792743
Energy: 1.460756968721147
Energy: 0.5523566921792743
Energy: 0.5630624587507493
Energy: 0.5566808273427511
Energy: 1.2699055679150262
Energy: 0.5566808273427511
Energy: 0.6980775320591335
Energy: 0.5555235550663488
Energy: 1.4679467350307127
Energy: 0.5555235550670232
Energy: 0.6829552002847037
Energy: 0.5522150850701034
Energy: 1.4611792924444338
Energy: 0.5522150850701034
Energy: 0.7002622561202254
Energy: 0.5582773215369546
Energy: 1.275148364112036
Energy: 0.5582773215369546
Energy: 0.9437442407053254
Energy: 0.5533785952724282
Energy: 1.2641640847016864
Energy: 0.5533785952717536
Energy: 0.9432740977724541
Energy: 0.5513661294276749
Energy: 1.363957760519271
Energy: 0.5513661294296985
Energy: 0.9535072133444094
Energy: 0.5563723758515631
Energy: 1.0660746051808558
Energy: 0.5563723758481903
Energy: 1.1623107391451584
Energy: 0.6057212448214938
Energy: 1.271183570610597
Energy: 0.6057212450648843
Energy: 0.9435630696907065
Energy: 0.6059636851235468
Energy: 1.1612887924467619
Energy: 0.6059636851221977
Energy: 1.167468362219599
Energy: 0.6104287513671428
Energy: 1.0665860204446447
Energy: 0.6104287513664683
Energy: 1.1659027863504752
Energy: 0.5535008789895055
Energy: 1.163115423120736
Energy: 0.5535008789793873
Energy: 1.1618606480176612
Energy: 0.552521631239272
Energy: 0.9467593185868884
Energy: 0.552521631239272
Energy: 1.3685000452180462
Energy: 0.5524252788489167
Energy: 0.819014118932775
Energy: 0.5524252788489167
Energy: 1.1674121500073287
Energy: 0.5585020202033101
Energy: 0.9522233040710911
Energy: 0.5585020202033101
Energy: 1.3659435002213154
Energy: 0.5548735411487731
Energy: 0.6905729515853659
Energy: 0.5548735411487731
Energy: 1.4647871683076938
Energy: 0.5542067971299897
Energy: 0.6884712422281041
Energy: 0.5542067971299897
Energy: 1.360728944767475
Energy: 0.5591237853609119
Energy: 0.5680851460782118
Energy: 0.5591237853609119
Energy: 1.4652502664518952
Energy: 0.5560622736973371
Energy: 0.5591027029858677
Energy: 0.5560622736973371
Energy: 1.4625270673754007
Energy: 0.5552174737901363
Energy: 0.5552182137451229
Energy: 0.5552174737901363

minimum gb energy = 0.5510982863541637 eV
minimum distance =  2.30244033304686 Angstroms
sigma value = 85


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

Energy: 1.4478106208188701
Energy: 0.518539884676512
Energy: 0.49769304556790206
Energy: 0.49808706827655824
Energy: 1.4808018635549063
Energy: 0.4995013519739536
Energy: 0.6207432351595061
Energy: 0.4995013519733685
Energy: 1.312014503580894
Energy: 0.4990291397849918
Energy: 0.6209850930457345
Energy: 0.4990291397849918
Energy: 1.1265582571455213
Energy: 0.49732357410237
Energy: 0.845155059971757
Energy: 0.49732357410237
Energy: 1.4016548809372358
Energy: 0.49697387629657197
Energy: 0.8408092137282234
Energy: 0.49697387629657197
Energy: 1.130862424836891
Energy: 0.4982188946320985
Energy: 0.8465815106659915
Energy: 0.4982188946320985
Energy: 1.1282862735348793
Energy: 0.4989556976759422
Energy: 1.0417384613118983
Energy: 0.4989556976145396
Energy: 1.2216454693456726
Energy: 0.49819837179858095
Energy: 0.8374512849805459
Energy: 0.49819837180150617
Energy: 1.1304643900777316
Energy: 0.4977720006595696
Energy: 1.0380908870877106
Energy: 0.49777200066366484
Energy: 1.133863696302841
Energy: 0.5877802297536445
Energy: 1.220226213534808
Energy: 0.5877802297542295
Energy: 1.038107524800966
Energy: 0.7168895209093356
Energy: 1.0360761865408796
Energy: 0.7168895209093356
Energy: 0.9478251203650678
Energy: 0.49798710628131865
Energy: 1.2207288674883963
Energy: 0.49798710627020293
Energy: 1.0372440441678215
Energy: 0.4992609162939755
Energy: 1.2211704290024739
Energy: 0.4992609162939755
Energy: 0.8456913207976929
Energy: 0.4999613641739112
Energy: 1.0343415397817213
Energy: 0.49996136417449627
Energy: 0.7258887474434357
Energy: 0.49723154656103735
Energy: 1.396017388803221
Energy: 0.49723154656103735
Energy: 0.8480671515065443
Energy: 0.5004886187558772
Energy: 1.222779406272539
Energy: 0.5004886187558772
Energy: 0.6236483358197157
Energy: 0.49783316619502405
Energy: 1.218667185193511
Energy: 0.49783316619502405
Energy: 0.6125685248054924
Energy: 0.49736803325030504
Energy: 1.4832497221340843
Energy: 0.49736803325030504
Energy: 0.6204347206464742
Energy: 0.4973876925375502
Energy: 1.3944523884261233
Energy: 0.4973876925375502
Energy: 0.49822522396282776
Energy: 0.49721940090808203
Energy: 1.3944055130834023
Energy: 0.49721940090808203
Energy: 0.4984483774338228
Energy: 0.49750696317054965
Energy: 1.484544533441082
Energy: 0.49750696317054965
Energy: 0.4993895483325784
Energy: 0.4972946231457397
Energy: 1.3080944043270613
Energy: 0.4972946231463247
Energy: 0.6251669546458374
Energy: 0.4976792966578076
Energy: 1.4783723930137083
Energy: 0.4976792966578076
Energy: 0.6152625764732863
Energy: 0.49732491563348236
Energy: 1.4856801057268478
Energy: 0.49732491563348236
Energy: 0.6209423156242362
Energy: 0.49803881889712726
Energy: 1.1265328867123208
Energy: 0.49803881885503093
Energy: 0.8456029214358514
Energy: 0.4979879868148945
Energy: 1.4855868972831383
Energy: 0.4979879868148945
Energy: 0.8420315692400714
Energy: 0.4973762526448682
Energy: 1.310921320165586
Energy: 0.4973762526448682
Energy: 0.9589439701333693
Energy: 0.5007659757291074
Energy: 1.128772271914258
Energy: 0.5007659757296925
Energy: 1.0421257065855347
Energy: 0.497294648822271
Energy: 1.3164242224106912
Energy: 0.497294648823441
Energy: 1.0388170755533876
Energy: 0.49792657253494715
Energy: 1.1305033332536267
Energy: 0.4979265724741296
Energy: 1.2237686709520583
Energy: 0.5882798427939455
Energy: 0.9435152542700485
Energy: 0.5882798428325314
Energy: 1.0368223609731313
Energy: 0.5876590367108762
Energy: 1.1394780892295269
Energy: 0.5876590367091211
Energy: 1.222413561737065
Energy: 0.4977707790862173
Energy: 0.9435398080679362
Energy: 0.49777077955754684
Energy: 1.3180794011967387
Energy: 0.49879199999360363
Energy: 0.9447430777018295
Energy: 0.49879199999360363
Energy: 1.0339270525520872
Energy: 0.5015949282304388
Energy: 0.8454445977046282
Energy: 0.5015949282310239
Energy: 1.3985187810486936
Energy: 0.49738576332150497
Energy: 0.8408613954846349
Energy: 0.49738576332150497
Energy: 1.3985644667180106
Energy: 0.498211231824477
Energy: 0.844603422892062
Energy: 0.498211231824477
Energy: 1.2190160358251436
Energy: 0.49748998659990346
Energy: 0.6214305478165457
Energy: 0.49748998659990346
Energy: 1.4850699455270142
Energy: 0.4971161412716321
Energy: 0.6143822220329813
Energy: 0.49711614127221715
Energy: 1.394373996890767
Energy: 0.4975047696893506
Energy: 0.6225006570027837
Energy: 0.4975047696893506
Energy: 1.217032386810901
Energy: 0.4981901413733266
Energy: 0.497666503867642
Energy: 0.4981901413733266
Energy: 1.4829213369017875
Energy: 0.49740326201151003
Energy: 0.4981142224400863
Energy: 0.49740326201151003
Energy: 1.308007635188345
Energy: 0.498752022762331
Energy: 0.49778852788090683
Energy: 0.498752022762331

minimum gb energy = 0.49697387629657197 eV
minimum distance =  2.30902641441431 Angstroms
sigma value = 113


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

Energy: 0.015562670706295462
Energy: 0.01627723031451366
Energy: 1.1183370158374024
Energy: 0.4495114594996675
Energy: 0.016219908029743754
Energy: 0.12099915852187333
Energy: 0.7850343834037381
Energy: 0.12099915852187333
Energy: 0.01612315503879078
Energy: 0.11913422294120564
Energy: 0.7830194100518504
Energy: 0.11913422294120564
Energy: 0.017409662271254983
Energy: 0.12110694559081613
Energy: 0.7857425086807758
Energy: 0.12110694559081613
Energy: 0.7841523869577705
Energy: 0.12086111673538777
Energy: 0.7851057217523143
Energy: 0.12086111673538777
Energy: 0.016112112294023376
Energy: 0.11896518076039282
Energy: 0.7827359225319909
Energy: 0.11896518076084257

minimum gb energy = 0.015562670706295462 eV
minimum distance =  2.50488114058857 Angstroms
sigma value = 1