Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6583647802472123
cohesive_energy=4.002359371913126
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015088624825459265
Energy: 0.015964840817308642
Energy: 0.01547277778978938
Energy: 0.015964840817887054
Energy: 0.015964840817887054
Energy: 1.0704128698949904
Energy: 0.015964840817308642
Energy: 1.070412869895603
Energy: 0.015472777788598534
Energy: 0.015964840817308642
Energy: 0.015088624825459265
Energy: 0.015964840817308642
Energy: 0.015964840817308642
Energy: 1.0704128698949904
Energy: 0.015964840817308642
Energy: 1.070412869895603

minimum gb energy = 0.015088624825459265 eV
minimum distance =  2.49992248349447 Angstroms
sigma value = 1


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

Energy: -2.5081477341263008
Energy: 0.6859225289072124
Energy: 0.18148297422508544
Energy: 0.6859225289064697
Energy: -2.1500500426672318
Energy: -2.0948844790962053
Energy: -2.556097729214081
Energy: -2.2714986233012016
Energy: -1.2231784071549199
Energy: 0.6552020290569757
Energy: -2.4301070032035725
Energy: 0.6552020290577185
Energy: -2.079866326029073
Energy: 0.6167579636044851
Energy: -2.481013160816373
Energy: 0.6167579636037422
Energy: -2.2079825192461477
Energy: 0.6772204967319448
Energy: -2.3235783625552613
Energy: 0.6772204967319448
Energy: -2.479497961557917
Energy: 0.846923375234752
Energy: -2.0515407336586247
Energy: 0.8469233752325238
Energy: -2.571867449001502
Energy: 0.6451316528033535
Energy: -2.399960716880529
Energy: 0.6451316531708128
Energy: -2.1181295090734116
Energy: 0.6753001666574396
Energy: -1.8890702928412866
Energy: 0.6753001666566969
Energy: -2.3137769626784714
Energy: -2.513726774280695
Energy: -2.4203314916128016
Energy: -2.453262372231979
Energy: -2.152652796361484
Energy: 0.6684353161300961
Energy: -2.027105831485433
Energy: 0.6684353161300961
Energy: -2.669973096319586
Energy: -2.1689653670133078
Energy: -2.3907125315988806
Energy: -2.3069547404712556
Energy: -2.061460014858498
Energy: 0.6852128311887895
Energy: -2.377964598593274
Energy: 0.6852128311887895
Energy: -2.3784423441241445
Energy: 0.6554993370053349
Energy: -2.5765811689655544
Energy: 0.6554993370060777
Energy: -2.472753328293829
Energy: 0.6634445901955133
Energy: -2.5011257758604444
Energy: 0.6634445901955133
Energy: -2.242869810758943
Energy: 0.6772702977113393
Energy: -2.5369900516717987
Energy: 0.6772702977113393
Energy: -2.16974999294996
Energy: 0.6815040819420312
Energy: -2.3244083575476053
Energy: 0.6815040819427739
Energy: -2.477353626822889
Energy: 0.6542605315390089
Energy: -2.2695383570316867
Energy: 0.6542605315390089
Energy: -2.632900263709949
Energy: -2.0443839829232116
Energy: -2.6639727615469004
Energy: -2.0509971949402583
Energy: 0.12853595066800497
Energy: 0.6867521217642276
Energy: -2.653847478446465
Energy: 0.686752121763485
Energy: -2.492329461207622
Energy: -2.428404536665622
Energy: -2.546862446042196
Energy: -2.442921321182498
Energy: -2.059405801851804
Energy: 0.6541491774029603
Energy: -1.8368264648442227
Energy: 0.6541491774037032
Energy: -2.5795107628542717
Energy: -2.6560454517046064
Energy: -2.200542769988054
Energy: -2.5825064367024755
Energy: -2.3052270863543596
Energy: 0.6764710265565042
Energy: -2.338196894882043
Energy: 0.6764710265565042
Energy: -2.01703733164547
Energy: 0.6553358501723289
Energy: -2.413803892061803
Energy: 0.6553358501723289
Energy: -3.5606999298177255
Energy: 0.8492304058505398
Energy: -2.5155279711453704
Energy: 0.8492304058505398
Energy: -2.165599665885794
Energy: 0.6752640394816591
Energy: -2.283179127046189
Energy: 0.6752640394831447
Energy: -2.0220156412991828
Energy: 0.8323384813448967
Energy: -2.46078445261834
Energy: 0.8323384813456396
Energy: -1.974143654114393
Energy: 0.6665646181577616
Energy: -2.2598080855406506
Energy: 0.6665646181570187
Energy: -2.4294746752873104
Energy: -2.2517252747078182
Energy: -2.3195269437971255
Energy: -2.1316543022574646
Energy: -2.8256643372054464
Energy: 0.6863519748869458
Energy: -2.054182959250952
Energy: 0.6863519748869458
Energy: -1.867662952798998
Energy: 0.6699872909615191
Energy: -2.441504288384497
Energy: 0.6699872909637473
Energy: -2.1968772625093886
Energy: 0.6585951930075835
Energy: -2.4183567248333997
Energy: 0.6585951930075835
Energy: -2.1874212523207888
Energy: 0.6878320184041768
Energy: -2.489368181163034
Energy: 0.6878320184041768

minimum gb energy = -3.5606999298177255 eV
minimum distance =  2.2392757496043 Angstroms
sigma value = 1


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

Energy: -1.8356601029025654
Energy: 0.759744661459271
Energy: 0.3135070989016092
Energy: 0.759744661459271
Energy: -1.6101578629990112
Energy: 0.6653396502205147
Energy: -1.6573818695522835
Energy: 0.6653396502213614
Energy: -1.4077298276755414
Energy: 0.7618188094692495
Energy: -1.910563085731171
Energy: 0.7618188094692495
Energy: -1.7383683334999216
Energy: 0.7454219420054302
Energy: -1.8412702938390186
Energy: 0.7454219420054302
Energy: -1.8457686302216896
Energy: 0.7332134540683984
Energy: -1.7441287074463265
Energy: 0.7332134540683984
Energy: -1.8303878920358934
Energy: 0.7333871939774126
Energy: -1.8548552043864979
Energy: 0.7333871939782595
Energy: -1.2431441033460544
Energy: -1.7240998958260858
Energy: -1.6790545472769538
Energy: -1.7700373375399896
Energy: 0.22695813899147865
Energy: 0.7617867284011997
Energy: -1.333171435108798
Energy: 0.7617867284011997
Energy: -1.611402808017395
Energy: 0.8344736473246598
Energy: -1.8376183333076852
Energy: 0.8344736473542617
Energy: -1.7537550189454338
Energy: 0.7623288588329661
Energy: -1.2536858024960504
Energy: 0.7623288588321194
Energy: -1.693797596007974
Energy: 0.6616331842630637
Energy: -1.9344206417933878
Energy: 0.6616331842893166
Energy: -1.408710744841137
Energy: 0.7472828485238765
Energy: -1.8245000897725845
Energy: 0.7472828485255701
Energy: -2.05845967060818
Energy: 0.7363702258047884
Energy: -1.8309566600227514
Energy: 0.7363702258047884
Energy: -1.9540504813165556
Energy: 0.7359472076148408
Energy: -1.5914841277412777
Energy: 0.7359472076165345
Energy: -1.4525212430168675
Energy: 0.7475610151783432
Energy: -1.6662083222799098
Energy: 0.7475610151783432
Energy: -2.0180962679840686
Energy: 0.6651223899979246
Energy: -1.66319838108389
Energy: 0.6651223899987715
Energy: -1.158418356856475
Energy: 0.7614485160061528
Energy: 0.28451181572143275
Energy: 0.7614485160061528
Energy: -1.7963963041103517
Energy: -1.7869976729420407
Energy: -1.7894573758746604
Energy: -1.969871437352145
Energy: 0.22803836613710468
Energy: 0.7614294668305984
Energy: -1.5594515862448124
Energy: 0.7614294668305984
Energy: -1.8137410226077397
Energy: -1.8683354257723463
Energy: -1.7990667802371423
Energy: -1.804896348913737
Energy: -1.8148546012535889
Energy: 0.7330203690700623
Energy: -1.655010812208577
Energy: 0.7330203690700623
Energy: -1.7518280836921032
Energy: 0.7334791712703466
Energy: -1.839343155185854
Energy: 0.7334791712711932
Energy: -1.6292521647209763
Energy: 0.743055485155496
Energy: -1.508186066716482
Energy: 0.7430554851538022
Energy: -1.5577396294750576
Energy: 0.761560288518407
Energy: -1.681020549336154
Energy: 0.761560288519254
Energy: -1.7213849888258965
Energy: 0.6737444670090148
Energy: -1.6620282711254077
Energy: 0.6737444670090148
Energy: -2.0230860283817917
Energy: 0.759744661459271
Energy: 0.3319426260908723
Energy: 0.759744661459271
Energy: -1.7892061408699058
Energy: 0.6653396502442269
Energy: -1.6879198168803995
Energy: 0.6653396502442269
Energy: -1.5354300806902954
Energy: 0.7618188094692495
Energy: -1.6562202274660422
Energy: 0.7618188094692495
Energy: -1.585915763233691
Energy: 0.7454219420045833
Energy: -1.9735665134663962
Energy: 0.7454219420045833

minimum gb energy = -2.05845967060818 eV
minimum distance =  2.23479947639956 Angstroms
sigma value = 25


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

Energy: -1.2780811316515728
Energy: 0.8192943968532896
Energy: 0.3613586013799595
Energy: 0.8192943968532896
Energy: -1.3308757135838305
Energy: 0.6434529756583788
Energy: -1.4517512356749365
Energy: 0.6434529756436119
Energy: -0.9483194075219397
Energy: 0.8610595710873139
Energy: -1.0279830799540792
Energy: 0.8610595710873139
Energy: -0.9488908130375755
Energy: 0.8501168215888555
Energy: -1.0626323003427145
Energy: 0.8501168215888555
Energy: -1.2427731998474165
Energy: 0.8326225717537057
Energy: -1.0212771774556213
Energy: 0.8326225717537057
Energy: -1.4175207621640817
Energy: 0.8629499202206531
Energy: -1.063185391035553
Energy: 0.8629499202206531
Energy: -1.356028444658953
Energy: -1.0870012624171064
Energy: -1.4718594634245712
Energy: -0.9942553015478532
Energy: -1.6295726784436135
Energy: 0.8208150491393995
Energy: -1.090438211390383
Energy: 0.8208150491384151
Energy: -1.5156875738454467
Energy: 0.7412435978976976
Energy: -1.25783975641408
Energy: 0.7412435978976976
Energy: -1.0722513065020436
Energy: 0.8632787865870584
Energy: -1.016829855971989
Energy: 0.8632787865860739
Energy: -1.0226364692377852
Energy: 0.8388530653654105
Energy: -1.1509626716212227
Energy: 0.8388530653654105
Energy: -1.2292366644538166
Energy: 0.8280356182163182
Energy: -1.2324873156989726
Energy: 0.8280356182173026
Energy: -1.1149179218259557
Energy: 0.8413272735475911
Energy: -0.9214773378547275
Energy: 0.8413272735495598
Energy: 0.3134035746329686
Energy: -1.1092438234031625
Energy: -1.1753085119968985
Energy: -1.2634362354823752
Energy: -1.1007198730092598
Energy: 0.8262511751472702
Energy: -1.1247409092876735
Energy: 0.8262511751472702
Energy: -1.4543585204032912
Energy: -1.3329059307845945
Energy: -1.1138620117853946
Energy: -1.403863484125867
Energy: 0.3565678286322459
Energy: 0.8611057451955729
Energy: 0.34791431224533614
Energy: 0.8611057451955729
Energy: -1.0931854825801606
Energy: 0.7019965996472357
Energy: -1.0264362206528954
Energy: 0.7019965996127794
Energy: -1.0499048754622229
Energy: 0.8393839914203537
Energy: -1.1204574048612255
Energy: 0.8393839914203537
Energy: -1.1784165007296967
Energy: 0.8630451420469598
Energy: -1.084107195725335
Energy: 0.8630451420469598
Energy: -1.2321768164903888
Energy: 0.8168357637616553
Energy: -1.5917318157867406
Energy: 0.8168357637616553
Energy: -1.2957108959948695
Energy: 0.8194852657565851
Energy: -1.1420516078008947
Energy: 0.8194852657565851
Energy: -1.097590516904255
Energy: 0.8195186790866731
Energy: -1.3465729026398858
Energy: 0.8195186790876574
Energy: -0.9013031007635312
Energy: 0.8607661530790737
Energy: -1.1514399495353156
Energy: 0.8607661530790737
Energy: -1.637288095852058
Energy: -1.0586613244743672
Energy: -1.3012267877334234
Energy: -1.0261837843592296

minimum gb energy = -1.637288095852058 eV
minimum distance =  2.15276882568696 Angstroms
sigma value = 9


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

Energy: -0.49639542128397013
Energy: 0.9518442847911375
Energy: -0.49973472485505444
Energy: 0.9518442847911375
Energy: -0.811381330362784
Energy: 0.7671443883906097
Energy: -1.0365561208713876
Energy: 0.7671444732685879
Energy: -0.4435597567268043
Energy: 0.961173467440784
Energy: -0.22645321514631203
Energy: 0.961173467440784
Energy: -0.9138177309368585
Energy: 0.9808994935306566
Energy: -0.4685579303073509
Energy: 0.9808994935306566
Energy: -0.8134156807049455
Energy: 0.7341709536133451
Energy: -0.5586007400962468
Energy: -0.6267736957715584
Energy: 0.4896278468640554
Energy: 0.9560868670963426
Energy: -0.6135945040247194
Energy: 0.9560868670963426
Energy: -1.0319139914157542
Energy: -0.29636488294321434
Energy: -0.49619068354854906
Energy: -0.3712221112853656
Energy: -0.6959354671139606
Energy: 0.9548709321455873
Energy: -0.5192382905370027
Energy: 0.9548709321455873
Energy: -0.892736207449758
Energy: 0.7645770937872335
Energy: -0.40053137829080904
Energy: 0.764575973810359
Energy: -0.8153220418909412
Energy: 0.9535614057999372
Energy: -0.5255046667931226
Energy: 0.9535614057999372
Energy: -0.5080034506808243
Energy: 0.927591769246439
Energy: -0.4138596416745903
Energy: 0.927591769246439
Energy: -0.8786738773659192
Energy: -0.47780297124666254
Energy: -0.46987484210653907
Energy: -0.44285695588652096
Energy: -0.35785348384845206
Energy: 0.9555074499959784
Energy: 0.4853074658722754
Energy: 0.9555074499959784
Energy: -0.7478301321530023
Energy: -0.2548581182708831
Energy: -0.778673988236015
Energy: -0.3700513591775981
Energy: 0.4722188860619414
Energy: 0.9555320188905796
Energy: -0.44213657961401287
Energy: 0.9555320188905796
Energy: -0.6962269053533638
Energy: -0.5359615165794072
Energy: -0.3872027095276252
Energy: -0.37170686065731645
Energy: -0.4713488046157393
Energy: 0.9269477468274241
Energy: -0.29826619836082896
Energy: 0.9269477468274241
Energy: -0.6118239569138418
Energy: 0.954474898381056
Energy: -0.5908663100569236
Energy: 0.954474898381056
Energy: -0.7360439320668821
Energy: 0.7595878135671036
Energy: -0.39110151146474825
Energy: 0.7597931640107481
Energy: -0.29162571876064347
Energy: 0.955255037421825
Energy: -0.5444434148390777
Energy: 0.9552550374229994
Energy: -0.9368579397681505
Energy: -0.4318041572371576
Energy: -0.5961509644484203
Energy: -0.34984419469688544

minimum gb energy = -1.0365561208713876 eV
minimum distance =  2.19128641967271 Angstroms
sigma value = 25


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

Energy: 0.775787166344167
Energy: 1.0278770367346342
Energy: 0.5754318410189169
Energy: 1.0278770367346342
Energy: 0.7405596217700038
Energy: 0.9058977223213774
Energy: 0.706056798618041
Energy: 0.9058977223213774
Energy: 0.5940632880317359
Energy: 1.0994517263312382
Energy: 0.7141246041880597
Energy: 1.0994517263326906
Energy: 0.768091047687499
Energy: 1.019832082256657
Energy: 0.5847327744531892
Energy: 1.019832082256657
Energy: 0.5732258977167818
Energy: 0.7416852185110826
Energy: 0.74543250072832
Energy: 0.7416852185009161
Energy: 0.711348716991905
Energy: 1.0906204018106411
Energy: 0.7182865338382138
Energy: 1.0906204018120935
Energy: 0.7332592450605304
Energy: 0.8757771037293557
Energy: 0.7134724871244422
Energy: 0.8757771037293557
Energy: 0.5908439092217381
Energy: 1.0283588522038432
Energy: 0.7775158615309166
Energy: 1.0283588522038432
Energy: 0.7136084359823726
Energy: 0.9047692048069288
Energy: 0.7411964665600712
Energy: 0.9047692048083812
Energy: 0.6556165728218245
Energy: 0.9367263760302426
Energy: 0.7130141652248098
Energy: 0.9367263760302426
Energy: 0.7125736643049704
Energy: 1.027712693424114
Energy: -0.4184911888219975
Energy: 1.027712693424114
Energy: 0.7086030833498917
Energy: 0.8360649318937845
Energy: 0.5919700999017619
Energy: 0.8360649318952368
Energy: 0.6248249986675845
Energy: 1.0838542104242137
Energy: 0.7109625975073984
Energy: 1.0838542104227613
Energy: 0.7131845201089557
Energy: 0.8821995524752314
Energy: 0.8123560161880277
Energy: 0.8821995524752314
Energy: 0.7436914639493561
Energy: 1.0267651506693969
Energy: 0.5843456923665911
Energy: 1.0267651506693969
Energy: 0.7440502426381171
Energy: 0.9370095545984227
Energy: 0.712341974925078
Energy: 0.9370095545969703
Energy: 0.7137448941950445
Energy: 0.7540125536117719
Energy: 0.6451448982224678
Energy: 0.7540125536132242

minimum gb energy = -0.4184911888219975 eV
minimum distance =  2.34059358305967 Angstroms
sigma value = 17


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

Energy: 0.8385553547524837
Energy: 1.0336259466287538
Energy: 0.2024432822374621
Energy: 1.0336259466279314
Energy: 0.732321174775254
Energy: 0.7284512222490127
Energy: 0.7226307884283322
Energy: 0.7284512222481901
Energy: 0.6759559239742822
Energy: 1.0546963217405068
Energy: 0.7220808990799061
Energy: 1.0546963217388616
Energy: 0.7203159745225499
Energy: 1.0096515186030026
Energy: 0.6790888232877967
Energy: 1.00965151860547
Energy: 0.7609550323933936
Energy: 0.9068891966505725
Energy: 0.7175311513798963
Energy: 0.9068891966489274
Energy: 0.787269979381567
Energy: 1.026091437828214
Energy: 0.5826590535859675
Energy: 1.0260914378273915
Energy: 0.7253263096031005
Energy: 0.8271057032871134
Energy: 0.6886994945611334
Energy: 0.8271057032862908
Energy: 0.6234066127847256
Energy: 1.10198328502809
Energy: 0.7891443143820039
Energy: 1.101983285029735
Energy: 0.7531660350325972
Energy: 1.0167309826846211
Energy: 0.6239252228050124
Energy: 1.0167309826846211
Energy: 0.6676615509058001
Energy: 0.9117870460944801
Energy: 0.7207047346617632
Energy: 0.9117870460953027
Energy: 0.7593084191233358
Energy: 1.0137822831820125
Energy: 0.6297437112613844
Energy: 1.0137822831820125
Energy: 0.7749598777208785
Energy: 0.8818406554704362
Energy: 0.7871384084404025
Energy: 0.8818406554720813
Energy: 0.6502635521201416
Energy: 1.0128354312761736
Energy: 0.8252203794291276
Energy: 1.0128354312753511
Energy: 0.7590858315108979
Energy: 1.026065284786183
Energy: 0.7278999565930788
Energy: 1.0260652847853604
Energy: 0.6981301269365465
Energy: 0.8139589715464538
Energy: 0.7568996421240541
Energy: 0.8139589715472763
Energy: 0.6428470483555193
Energy: 1.0705809394271815
Energy: 0.6495818507037685
Energy: 1.070580939432939
Energy: 0.7205957115794961
Energy: 0.875314079178269
Energy: 0.6951743696978862
Energy: 0.8753140791815591
Energy: 0.542146999838667
Energy: 1.004394360155637
Energy: 0.7869510680785179
Energy: 1.004394360155637
Energy: 0.7840031638232212
Energy: 0.9603886727684482
Energy: 0.8233409356837942
Energy: 0.9603886727684482
Energy: 0.7282561752788257
Energy: 1.0130631534465053
Energy: 0.7272043373488588
Energy: 1.013063153448973
Energy: 0.6040065420344811
Energy: 0.9776204417004308
Energy: 0.7209315225730004
Energy: 0.9776204417004308
Energy: 0.7556442141257864
Energy: 0.638282546394495
Energy: 0.6536293318701603
Energy: 0.6382825463936725
Energy: 0.6986382561074089
Energy: 1.0008403578695793
Energy: 0.7628901517477884
Energy: 1.0008403578712242
Energy: 0.8096964085322134
Energy: 0.8481879129153759
Energy: 0.7058992926725307
Energy: 0.8481879129153759
Energy: 0.814306573702371
Energy: 1.0335223227945987
Energy: 0.6780916577828316
Energy: 1.033522320051806
Energy: 0.31656025230198
Energy: 1.0049968665428457
Energy: 0.7632106549713144
Energy: 1.0049968665403781
Energy: 0.7174432168913905
Energy: 0.8502289768382535
Energy: 0.6932505150160951
Energy: 0.850228976855527
Energy: 0.5685212791838993
Energy: 0.9836882017464397
Energy: 0.7217928119543732
Energy: 0.9836882017464397
Energy: 0.6928707034565825
Energy: 0.8573281173468789
Energy: 0.7245983990926206
Energy: 0.8573281190890769
Energy: 0.7891472224614062
Energy: 0.9810370026289644
Energy: 0.6034723906419697
Energy: 0.9810370026289644

minimum gb energy = 0.2024432822374621 eV
minimum distance =  2.26182357048434 Angstroms
sigma value = 53


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

Energy: 0.8628758197972278
Energy: 0.8676597824223206
Energy: 0.3286029560168559
Energy: 0.8676597824204269
Energy: 0.8189388751556995
Energy: 0.8090149122055719
Energy: 0.8223744164271863
Energy: 0.8090149122055719
Energy: 0.8244924663124044
Energy: 1.0007355405570184
Energy: 0.8544195419815747
Energy: 1.0007355405608058
Energy: 0.8242146451088497
Energy: 1.0048241278479673
Energy: 0.7366447206522105
Energy: 1.0048241278479673
Energy: 0.819001331888938
Energy: 0.8089806911918184
Energy: 0.8227120477842528
Energy: 0.8089806913432676
Energy: 0.8628758197972278
Energy: 0.8676597824223206
Energy: 0.6384881623240571
Energy: 0.8676597824223206
Energy: 0.8189388751519122
Energy: 0.8090149122036783
Energy: 0.7604629688943033
Energy: 0.8090149122036783
Energy: 0.8244924663124044
Energy: 1.0007355405796992
Energy: 0.8544195419834684
Energy: 1.0007355405532312
Energy: 0.8242146451088497
Energy: 1.0048241278479673
Energy: 0.7204373376556469
Energy: 1.0048241278517547
Energy: 0.8190017376300304
Energy: 0.808980691530653
Energy: 0.7604160308392555
Energy: 0.8089806918524017
Energy: 0.8628758197972278
Energy: 0.8676597824223206
Energy: 0.6431505293895091
Energy: 0.8676597824223206
Energy: 0.8189388751575932
Energy: 0.8090149122017847
Energy: 0.7139507291389144
Energy: 0.8090149122017847
Energy: 0.8244924663124044
Energy: 1.0007355405551248
Energy: 0.8544195419834684
Energy: 1.0007355405570184

minimum gb energy = 0.3286029560168559 eV
minimum distance =  2.29565608412489 Angstroms
sigma value = 9


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

Energy: 0.9196056151094415
Energy: 1.0304477382778088
Energy: 0.6043236361046599
Energy: 1.030447738276407
Energy: 0.6996922190350952
Energy: 0.6958778891619171
Energy: 0.6282920636637475
Energy: 0.6958778891626178
Energy: 0.6421798119044404
Energy: 0.9898188980372443
Energy: 0.6091887427999223
Energy: 0.9898188980379451
Energy: 0.6336984713375238
Energy: 0.8611662471788147
Energy: 0.7489673709700251
Energy: 0.8611662471767121
Energy: 0.6503814247992972
Energy: 0.6894203160934957
Energy: 0.7178122794076464
Energy: 0.6894203160829826
Energy: 0.9065366717431251
Energy: 0.7084377399919548
Energy: 0.6024558684943069
Energy: 0.7084377399898522
Energy: 0.6552005275073772
Energy: 0.6578921950706694
Energy: 0.7185993815872551
Energy: 0.6578921950629599
Energy: 0.8002111200740699
Energy: 1.0399810777917555
Energy: 0.6468160282906421
Energy: 1.0399810777826441
Energy: 0.6604357206849609
Energy: 0.8721817194959062
Energy: 0.8305479872776753
Energy: 0.8721815727445186
Energy: 0.6625098928808251
Energy: 0.7645450330399642
Energy: 0.7110878570495816
Energy: 0.7645450330399642
Energy: 0.7493158213523687
Energy: 1.0485303156622328
Energy: 0.5612974756168334
Energy: 1.0485303156622328
Energy: 0.6351857507663298
Energy: 1.0468446926397497
Energy: 0.7375870873045358
Energy: 1.0468446926417887
Energy: 0.724345898433795
Energy: 1.0264651897857084
Energy: 0.6599882913710092
Energy: 1.0264651897836057
Energy: 0.640676165194086
Energy: 1.0501317274107365
Energy: 0.9186262097653661
Energy: 1.0501317274121382
Energy: 0.6886826956786367
Energy: 0.9009469646596168
Energy: 0.6507412381206015
Energy: 0.9009470826368947
Energy: 0.7248481279629869
Energy: 1.0050194258161094
Energy: 0.6272276132588975
Energy: 1.0050194258105023
Energy: 0.6905447612507313
Energy: 0.9101431444999669
Energy: 0.6881907041723704
Energy: 0.9101431445006676
Energy: 0.7508918998704545
Energy: 0.6691123967156398
Energy: 0.6908108901365141
Energy: 0.6691123967156398
Energy: 0.6682211144903584
Energy: 0.8900292841097673
Energy: 0.9070175960454195
Energy: 0.890029284095049
Energy: 0.6025179640006714
Energy: 0.7945004042004081
Energy: 0.716120475847621
Energy: 0.7945004042032116
Energy: 0.6436849107863912
Energy: 1.029695363134626
Energy: 0.6401784396266549
Energy: 1.0296953631367285
Energy: 0.7457413101097806
Energy: 0.7920056474909372
Energy: 0.6626303686277953
Energy: 0.7920056474909372
Energy: 0.8272101239481076
Energy: 0.893557980810626
Energy: 0.6603479998393104
Energy: 0.893557980799412
Energy: 0.07007427885247076
Energy: 1.052448306922088
Energy: 0.8257248082278872
Energy: 1.0524483069234898
Energy: 0.7312560911201735
Energy: 0.7486258114092569
Energy: 0.6809677092404226
Energy: 0.7486258114092569
Energy: 0.6780330018607691
Energy: 0.9375465987933846
Energy: 0.7077113086489497
Energy: 0.9375465987156516
Energy: 0.7167542356466229
Energy: 0.9079478777524449
Energy: 0.6322347861348993
Energy: 0.9079478777398291
Energy: 0.9049371649007453
Energy: 0.8581561183606496
Energy: 0.6340675165871648
Energy: 0.8581561183704618
Energy: 0.6594481912378835
Energy: 0.9848226507675936
Energy: 0.7130292447726695
Energy: 0.9848226507668926
Energy: 0.7274227989256793
Energy: 0.7449151209412428
Energy: 0.7233922162492041
Energy: 0.7449151198784659
Energy: 0.6842675263757603
Energy: 1.046600680033983
Energy: 0.8259115441791262
Energy: 1.0466006800221321
Energy: 0.6989692674775921
Energy: 0.6703404260036399
Energy: 0.6602527261721445
Energy: 0.6703404259994347
Energy: 0.6587148511378608
Energy: 0.7939996701070692
Energy: 0.6547221968255209
Energy: 0.7939996701070692
Energy: 0.639599232311139
Energy: 1.0339772758387267
Energy: 0.6334201002612453
Energy: 1.033977275838026
Energy: 0.6527489364977459
Energy: 0.7154568645137955
Energy: 0.6829038980967602
Energy: 0.7154568645151973

minimum gb energy = 0.07007427885247076 eV
minimum distance =  2.29658351128476 Angstroms
sigma value = 73


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

Energy: 0.9384047371383795
Energy: 0.8888420533286897
Energy: 0.4610630629637697
Energy: 0.8888420533209058
Energy: 0.8237184119842389
Energy: 0.7799388602517419
Energy: 0.8445466455596041
Energy: 0.7799388602528539
Energy: 0.7512218506314059
Energy: 0.923053678809035
Energy: 0.8050894382348979
Energy: 0.923053678812371
Energy: 0.715580415910459
Energy: 0.8912138506208145
Energy: 0.8138739529699065
Energy: 0.8912138506252626
Energy: 0.6420921055372738
Energy: 0.7786969138559984
Energy: 0.6805227687334887
Energy: 0.7786969138559984
Energy: 0.8423693568562723
Energy: 0.922926365386747
Energy: 0.4912552293343894
Energy: 0.9229263652722625
Energy: 0.7240395233023372
Energy: 0.6627886341043134
Energy: 0.7770632611394835
Energy: 0.6627886341032014
Energy: 0.8038410461294576
Energy: 0.9261620441246594
Energy: 0.5945111447314988
Energy: 0.9261620457474331
Energy: 0.6932118477096482
Energy: 0.71125466612602
Energy: 0.9199374149134008
Energy: 0.71125466612602
Energy: 0.7361164876676557
Energy: 0.7446016966795693
Energy: 0.7489936822827254
Energy: 0.7446016966806813
Energy: 0.7629897424609907
Energy: 0.85723289674887
Energy: 0.6373712515292816
Energy: 0.857232896297604
Energy: 0.7346917823995467
Energy: 0.8615087328734482
Energy: 0.7077522587089301
Energy: 0.8615087342728127
Energy: 0.8444076979411039
Energy: 0.6929320826734766
Energy: 0.6371175765756101
Energy: 0.6929320826723646
Energy: 0.05047897452493244
Energy: 1.0309804519787054
Energy: 0.8425316968681104
Energy: 1.0309804521554362
Energy: 0.7800312502505546
Energy: 0.8051226470319698
Energy: 0.740296998449379
Energy: 0.8051226470308577
Energy: 0.6216167823529536
Energy: 0.9220261456771518
Energy: 0.8039219837908333
Energy: 0.922026145664945
Energy: 0.8193282709136771
Energy: 0.9225860866604364
Energy: 0.752044760130142
Energy: 0.9225860866348606
Energy: 0.9318219247994837
Energy: 0.8626613271712261
Energy: 0.7487444768192643
Energy: 0.8626613272312481
Energy: 0.6375123984624749
Energy: 0.8546080500009008
Energy: 0.8041566162114466
Energy: 0.854608052817447
Energy: 0.823251242495623
Energy: 0.9256414207993461
Energy: 0.7789784893993904
Energy: 0.9256414184118515
Energy: 0.633861402720209
Energy: 0.938575052896291
Energy: 0.8416523897679337
Energy: 0.9385750528951791
Energy: 0.8147734660263691
Energy: 0.7555285874653278
Energy: 0.6817928319768318
Energy: 0.7555285874686638

minimum gb energy = 0.05047897452493244 eV
minimum distance =  2.26555060037551 Angstroms
sigma value = 7


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

Energy: 0.9397945443117637
Energy: 0.6085003069501032
Energy: -0.044020584097078166
Energy: 0.6085003066962725
Energy: 0.6649839487602098
Energy: 0.695892767560989
Energy: 0.7992352185137994
Energy: 0.6958927674729952
Energy: 0.7231218536399735
Energy: 0.8035366951012682
Energy: 0.7039186410796336
Energy: 0.8035366962047277
Energy: -0.04615661713365019
Energy: 0.6593912550535574
Energy: 0.8216834620980377
Energy: 0.6593912550677107
Energy: 0.63636332916214
Energy: 0.7010760891779158
Energy: 0.37675791295076777
Energy: 0.7010760891802745
Energy: 0.8531091466941569
Energy: 0.7871433138196128
Energy: 0.26447676394100506
Energy: 0.7871433138164677
Energy: 0.6969228869828927
Energy: 0.4817454415370256
Energy: 0.6524245169747395
Energy: 0.4799136536466012
Energy: 0.8529263785330755
Energy: 0.6239214780252392
Energy: 0.31497679489572283
Energy: 0.6239214780095134
Energy: -0.34646503078820046
Energy: 0.8771250668986683
Energy: 0.8713059077856316
Energy: 0.8771250728616525
Energy: 0.6810046884418992
Energy: 0.6842389443269885
Energy: 0.654473569912009
Energy: 0.6842389443269885
Energy: 0.6506096209970875
Energy: 0.8345925455703811
Energy: 0.6881877333300846
Energy: 0.8345925455931836
Energy: 0.6308280415811082
Energy: 0.9191718907221326
Energy: 0.35544487673465214
Energy: 0.9191718907064067
Energy: 0.7069817886930103
Energy: 0.7760511703190296
Energy: 0.2679224250744303
Energy: 0.7760511703190296
Energy: 0.49459394538974527
Energy: 0.8832494439640757
Energy: 0.6973911172151261
Energy: 0.8832494390526913
Energy: 0.6229343072132358
Energy: 0.6732261702850659
Energy: 0.7636855443115833
Energy: 0.6732261702897837
Energy: -0.055676186914623525
Energy: 0.7012369265433213
Energy: 0.8726427530164373
Energy: 0.7012369315466667
Energy: 0.6303624895991704
Energy: 0.6572346970382931
Energy: 0.6208151409657013
Energy: 0.6572346970390794
Energy: 0.647567638155688
Energy: 0.7662775253536886
Energy: 0.35326260495357387
Energy: 0.7662775253521159
Energy: 0.6496493323418593
Energy: 0.8560750793269409
Energy: 0.25779766746953786
Energy: 0.8560750793355901
Energy: 0.6257720665484382
Energy: 0.6682437446224695
Energy: 0.21674737405173886
Energy: 0.6682437446546718
Energy: 0.12045793278156534
Energy: 0.9585410401054888
Energy: 0.8732714516403478
Energy: 0.9585410401062749
Energy: 0.7686711517678964
Energy: 0.7879324167000242
Energy: 0.5576660654267667
Energy: 0.7879324166646767
Energy: 0.6705623278016051
Energy: 0.7474714740154318
Energy: 0.750399614380999
Energy: 0.7474714764267162
Energy: 0.8814793068113586
Energy: 0.6113963304044706
Energy: 0.017421897541177598
Energy: 0.6113963304044706
Energy: 0.7460238450470174
Energy: 0.7203859775698365
Energy: 0.7203554732443488
Energy: 0.7203859775706227
Energy: 0.16327984238249485
Energy: 0.6527096570447452
Energy: 0.6927932977061098
Energy: 0.6527096570282687
Energy: 0.7252990637513929
Energy: 0.7975905057914312
Energy: 0.66301681135594
Energy: 0.7975905057906449
Energy: 0.19987483438934547
Energy: 0.6194066163931912
Energy: 0.8804755445787403
Energy: 0.6194066163916186
Energy: 0.8551135872524728
Energy: 0.9031658904310796
Energy: 0.626303456670762
Energy: 0.9031658904436247
Energy: 0.7294832781071074
Energy: 1.1325299757486171
Energy: 0.8181906001646244
Energy: 1.1325299757478309
Energy: 0.8552115979502382
Energy: 1.0103249394325564
Energy: 0.0003270234331317414
Energy: 1.0103249394325564

minimum gb energy = -0.34646503078820046 eV
minimum distance =  2.24409414070286 Angstroms
sigma value = 29


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

Energy: 0.6929649367570427
Energy: 0.8647482355985646
Energy: 0.6327040596798669
Energy: 0.8647482355988384
Energy: 0.6304266934501443
Energy: 0.7077122431659701
Energy: 0.831662347147192
Energy: 0.7077329901872251
Energy: 0.7743953980641592
Energy: 0.8373587716664892
Energy: 0.6313522883389713
Energy: 0.8373587716667327
Energy: 0.8329174446862839
Energy: 1.0999813467796176
Energy: 0.8337807694631391
Energy: 1.099981346779861
Energy: 0.8332999664842667
Energy: 0.7867494102892776
Energy: 0.6171267878493427
Energy: 0.7867494102890037
Energy: 0.5827323846209541
Energy: 0.9798550081963824
Energy: 0.582153033327906
Energy: 0.9798550081963824
Energy: 0.775119237607142
Energy: 0.7867561940951537
Energy: 0.8331123191269126
Energy: 0.7867561940954276
Energy: 0.8301402801008405
Energy: 1.099423427030771
Energy: 0.8297599987067725
Energy: 1.099423427031045
Energy: 0.6312180637417568
Energy: 0.8373804807378612
Energy: 0.6332733328039605
Energy: 0.8373804807381352

minimum gb energy = 0.582153033327906 eV
minimum distance =  2.32977255828335 Angstroms
sigma value = 5


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

Energy: 0.6066081928283865
Energy: 0.7023706720692808
Energy: -0.45530262520828824
Energy: 0.7023706724145253
Energy: 0.43107741190104976
Energy: 0.8933922360256197
Energy: 0.5241737734673234
Energy: 0.8933922364517901
Energy: 0.5758711498829533
Energy: 0.2936723452841579
Energy: 0.6662721877804308
Energy: 0.29367234524330654
Energy: 0.14037880580896384
Energy: 0.8817595619300654
Energy: 0.5686740604356298
Energy: 0.8817595619300654
Energy: 0.5754813773516793
Energy: 0.7403331405841997
Energy: 0.7084112407338283
Energy: 0.740333140589399
Energy: 0.291900938466021
Energy: 0.5246393966418098
Energy: 0.4865834596471329
Energy: 0.5246393966418098
Energy: 0.3860178502228264
Energy: 0.5932550847442416
Energy: 0.5944353284101046
Energy: 0.5932550847442416
Energy: 0.5204939889152715
Energy: 0.8408585893707703
Energy: 0.5301368373797493
Energy: 0.8408585893715133
Energy: 0.6031447940520674
Energy: 0.7280601362261492
Energy: 0.5351919002984873
Energy: 0.7280601362254063
Energy: 0.6175688554882192
Energy: 0.6126967863745377
Energy: 0.1675229624456028
Energy: 0.6126967863745377
Energy: 0.2135177235065268
Energy: 0.9447468771668999
Energy: 0.5488969680002622
Energy: 0.9447468812450103
Energy: 0.5526594809978843
Energy: 0.8973051503332445
Energy: 0.5759477883862031
Energy: 0.8973051503354728
Energy: 0.16023833782152752
Energy: 0.5259025098127726
Energy: 0.6409266470126653
Energy: 0.5259025098127726
Energy: 0.5652125210291211
Energy: 0.6842998163158902
Energy: 0.5358125944879034
Energy: 0.6842998163470858
Energy: 0.6546598004213459
Energy: 0.7538446929196931
Energy: 0.5534346865092091
Energy: 0.7538446930600057
Energy: 0.6538814047002065
Energy: 0.7055607000506343
Energy: -0.3913581575470929
Energy: 0.7055606999637999
Energy: 0.6235277004056036
Energy: 0.7235598682095232
Energy: 0.5550543300791819
Energy: 0.7235598687462624
Energy: 0.6138008563112366
Energy: 0.5192055751354816
Energy: 0.22938241823802025
Energy: 0.5192055751339961
Energy: 0.5432897586701141
Energy: 0.5827646337516547
Energy: 0.499750286690353
Energy: 0.5827646337494264
Energy: 0.5442212816299694
Energy: 0.7647338489780089
Energy: 0.5135600950353204
Energy: 0.7647338478844089
Energy: 0.5091403634217765
Energy: 0.7704176824267432
Energy: 0.5576069564644592
Energy: 0.7704176824438265
Energy: 0.6014772565181217
Energy: 0.623605978298118
Energy: 0.5967454145139733
Energy: 0.6236059782988608
Energy: 0.5526520212074042
Energy: 0.6920889832147366
Energy: 0.5220144671986435
Energy: 0.6920889870389609
Energy: 0.626917189300839
Energy: 0.9317577840186959
Energy: 0.5448320118015915
Energy: 0.9317577831255374
Energy: 0.6273033434093735
Energy: 0.7083469894910711
Energy: 0.5672207574362211
Energy: 0.7083469894910711
Energy: 0.6072087776217705
Energy: 0.6313401576793144
Energy: 0.5830037561856115
Energy: 0.6313401568678247
Energy: 0.5215570962864182
Energy: 0.7516370078795653
Energy: 0.5530329363423385
Energy: 0.751637007880308
Energy: 0.027476988326317692
Energy: 0.9386652304143801
Energy: 0.6254557340763708
Energy: 0.9386652304559742
Energy: 0.54908707941408
Energy: 0.8396786327195429
Energy: 0.677034501203002
Energy: 0.8396786337344114
Energy: 0.3746307426095677
Energy: 0.7758248445255244
Energy: 0.5836946733604712
Energy: 0.7758248353536251
Energy: 0.5331052914112383
Energy: 0.5007729092967109
Energy: 0.4302713712447077
Energy: 0.5007729092967109
Energy: 0.6469203052231777
Energy: 0.8461265651764676
Energy: 0.5525200151899619
Energy: 0.8461265651867986
Energy: 0.5448593150731107
Energy: 0.9405609757459458
Energy: 0.15585440491100797
Energy: 0.940560976440891

minimum gb energy = -0.45530262520828824 eV
minimum distance =  2.18715060958343 Angstroms
sigma value = 1


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

Energy: 0.7284234923618929
Energy: 0.6973489952936701
Energy: 0.14152353016153923
Energy: 0.6973513946838691
Energy: 0.6929004522756267
Energy: 0.9778426614064085
Energy: 0.5090077962267296
Energy: 0.9778426614023005
Energy: 0.48109651278920884
Energy: 0.6084309982421165
Energy: 0.6756794712790894
Energy: 0.6084309982451974
Energy: 0.4733926497324373
Energy: 0.9379138801967312
Energy: 0.5838527666297849
Energy: 0.93791388003867
Energy: 0.41160209560520167
Energy: 0.9142372531630727
Energy: 0.7836292455069218
Energy: 0.9142372531620456
Energy: 0.4269919474900964
Energy: 1.062389412683397
Energy: 0.5743878618961755
Energy: 1.062389412683397
Energy: 0.47089122327707494
Energy: 0.6207160156590448
Energy: 0.4896145843110576
Energy: 0.6207160156693146
Energy: 0.4381538291541314
Energy: 0.7991076041977415
Energy: 0.4860717025278728
Energy: 0.7991076041967144
Energy: 0.6251908950211185
Energy: 0.8041828518574243
Energy: 0.47141438062042323
Energy: 0.8041828518574243
Energy: 0.5672444361824437
Energy: 0.7617557398616118
Energy: 0.46937380029628945
Energy: 0.7617557396901999
Energy: 0.4596539393196065
Energy: 0.8172085449342484
Energy: 0.5192688631847573
Energy: 0.8172085449363025
Energy: 0.45037979471876993
Energy: 0.695620969745519
Energy: 0.5736528202212264
Energy: 0.6956695408511673
Energy: 0.43090682909578354
Energy: 0.9704569264651967
Energy: 0.6069704137297202
Energy: 0.9704569264610887
Energy: 0.43463629920609204
Energy: 0.6822221749753622
Energy: 0.6671882751737488
Energy: 0.6822221750595275
Energy: 0.48151758137694495
Energy: 0.7735555485169499
Energy: 0.61230750809954
Energy: 0.7735555485169499
Energy: 0.49167710863699493
Energy: 0.5331182348108601
Energy: 0.5807155013378245
Energy: 0.5331182348098331
Energy: 0.726592088910957
Energy: 1.1172165011255972
Energy: 0.5231095231283842
Energy: 1.1172165011255972
Energy: 0.7284234923618929
Energy: 0.6996343331532892
Energy: 0.14817731539711113
Energy: 0.6973809429891488
Energy: 0.6929004524881176
Energy: 0.9778426614053815
Energy: 0.5090077967307419
Energy: 0.9778426613940847
Energy: 0.4810965127789391
Energy: 0.6084309982647099
Energy: 0.6756794712677927
Energy: 0.6084309982585481
Energy: 0.4733926497314103
Energy: 0.9379138801711033
Energy: 0.5838527666287578
Energy: 0.9379138802254865
Energy: 0.4116020956144444
Energy: 0.9142372531630727
Energy: 0.783629245497679
Energy: 0.9142372531620456
Energy: 0.42699194749112335
Energy: 1.0623894126823699
Energy: 0.5743878618951486
Energy: 1.062389412683397
Energy: 0.4708912232760479
Energy: 0.6207160156682875
Energy: 0.48961458430489574
Energy: 0.6207160156682875

minimum gb energy = 0.14152353016153923 eV
minimum distance =  2.28192674058226 Angstroms
sigma value = 17


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

Energy: 0.5442204392340527
Energy: 0.20980480451291653
Energy: -0.3650188728366293
Energy: 0.20972845879387467
Energy: 0.21014626553952628
Energy: 0.6586670633945865
Energy: 0.2147422705880638
Energy: 0.6587060409086147
Energy: 0.15856429276334066
Energy: 0.08215136650967447
Energy: 0.17933653502157743
Energy: 0.08214995157737909
Energy: -0.14045235124406474
Energy: 0.7423707550884863
Energy: 0.030191475192908258
Energy: 0.7423707550288771
Energy: -0.01724087341961956
Energy: 0.6142722890184457
Energy: 0.3235204959491175
Energy: 0.6143182245786408
Energy: -0.1668973029604095
Energy: 0.8637189975386066
Energy: 0.22537289143571682
Energy: 0.8637189977117788
Energy: 0.09477877633799234
Energy: 0.31196700687970536
Energy: 0.403196343826603
Energy: 0.3102154972552901
Energy: -0.038689537932379274
Energy: 0.4297213427117832
Energy: -0.06525142288344
Energy: 0.4297212845992284
Energy: 0.04219930938816256
Energy: 0.5284786603875465
Energy: 0.14419513186482075
Energy: 0.5284786604877799
Energy: 0.04314049540826232
Energy: 0.7550210510699875
Energy: 0.11919777683884078
Energy: 0.755021051519797
Energy: 0.09052725829065558
Energy: 0.8511961382114585
Energy: -0.02235639687797288
Energy: 0.851196138210189
Energy: 0.14971016303910947
Energy: 0.21050989295008968
Energy: -0.006392574574385372
Energy: 0.21051058777408135
Energy: -0.1671729505424732
Energy: 0.7465047846268795
Energy: 0.09825352792289047
Energy: 0.7465047874096391
Energy: 0.0034366189649737548
Energy: 0.6401900772118505
Energy: 0.19400384762527392
Energy: 0.6401900859593317
Energy: -0.14189583644958417
Energy: 0.8449356616534781
Energy: 0.17054212041184416
Energy: 0.8449356612366181
Energy: 0.12609763493133425
Energy: 0.19536575049885402
Energy: 0.31785703777458013
Energy: 0.19536574708918866
Energy: 0.03493820790571465
Energy: 0.5514326687096082
Energy: 0.13119213441247066
Energy: 0.5514326687083387
Energy: 0.23167608924687894
Energy: 0.2397656598174514
Energy: -0.1458076740092941
Energy: 0.23976565980729536
Energy: 0.31831530470820624
Energy: 1.0708398290313372
Energy: 0.1728104565707358
Energy: 1.0708398290294332
Energy: 0.4092046137296294
Energy: 0.05243326230866987
Energy: -0.2808654123502942
Energy: 0.05243326230866987
Energy: 0.1342923520689342
Energy: 0.789676778790934
Energy: 0.21572987500323965
Energy: 0.7896767787922034
Energy: 0.1317427891909189
Energy: 0.9328218472988741
Energy: 0.2316120301272629
Energy: 0.9328218472855443
Energy: -0.03558471586320387
Energy: 0.760946100289257
Energy: 0.2592571321076318
Energy: 0.7609461002010263
Energy: 0.1914555670922286
Energy: 0.7929197671366703
Energy: 0.26762641381129365
Energy: 0.7929197671873929
Energy: -0.21696012483276447
Energy: 0.23659739358322587
Energy: 0.07313138259891044
Energy: 0.23659758600392294
Energy: 0.10024834576902268
Energy: 0.3150606101267142
Energy: 0.007477550779410366
Energy: 0.31506061026249377
Energy: 0.14535023769243283
Energy: 0.7150520666574017
Energy: 0.1543135216326629
Energy: 0.7150520668464428
Energy: 0.16973731827451483
Energy: 0.831905678210654
Energy: -0.033264706935818435
Energy: 0.8319056782474697
Energy: 0.1808833547355297
Energy: 0.6489405488050626
Energy: -0.027362051495198044
Energy: 0.6489405385601977
Energy: 0.06709103969492669
Energy: 0.870498422804111
Energy: -0.09243509389340145
Energy: 0.8704984230001346
Energy: 0.01690772391266985
Energy: 0.2833058898652997
Energy: 0.23498077345331525
Energy: 0.28330168193755517
Energy: -0.014217394242373567
Energy: 0.7530922914515361
Energy: 0.11949965339815602
Energy: 0.71462589942795
Energy: 0.06772341767934745
Energy: 0.774173330339565
Energy: 0.21315270054223395
Energy: 0.7741733303985394
Energy: -0.08931579324969126
Energy: 0.6307610176270069
Energy: 0.15763579542627595
Energy: 0.6307610030202309
Energy: -0.021327834552373817
Energy: 0.17953612613741474
Energy: 0.051680145494567446
Energy: 0.1795361263632716
Energy: 0.04666318678047713
Energy: 0.8027358179635191
Energy: 0.15456441336536247
Energy: 0.8027358179889093
Energy: 0.2490833431291769
Energy: 0.8753921470436683
Energy: -0.17252097753726392
Energy: 0.8753921470455726
Energy: 0.3299719340977386
Energy: 0.8907151159682692
Energy: 0.13655547051535064
Energy: 0.8907151164511435

minimum gb energy = -0.3650188728366293 eV
minimum distance =  2.20495421113079 Angstroms
sigma value = 89


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

Energy: 0.5448262135904015
Energy: 0.40898500313742314
Energy: 0.3890418340710053
Energy: 0.40898500313742314
Energy: 0.3958408806359946
Energy: 0.4799013281878115
Energy: 0.3811183579749615
Energy: 0.4799013281878115
Energy: 0.37815094908999347
Energy: 0.9449850070096426
Energy: 0.4895701664188162
Energy: 0.9449850070113036
Energy: 0.12299980949936673
Energy: 0.4726868747843648
Energy: 0.3799698277646762
Energy: 0.47268687478602567
Energy: 0.39725241599002875
Energy: 0.8991806132050293
Energy: 0.5976478546467118
Energy: 0.8991806132033685
Energy: 0.39557001026889077
Energy: 0.4109399826247993
Energy: 0.3916481821177249
Energy: 0.41093998262646014
Energy: 0.38352856195658525
Energy: 0.5879754976134591
Energy: 0.4136692384900153
Energy: 0.5879754976134591
Energy: -0.044373851496853765
Energy: 0.5847879554920422
Energy: 0.40864834875953565
Energy: 0.5847879570824501
Energy: 0.3992189067251748
Energy: 0.4193635216515749
Energy: 0.20009011907375956
Energy: 0.41936354258717545
Energy: 0.4563681354221504
Energy: 0.4035359697230509
Energy: 0.39461180599927054
Energy: 0.4029867813682445
Energy: 0.3900667497676206
Energy: 0.537091483184688
Energy: 0.42850027734802987
Energy: 0.5370914831780447
Energy: 0.391320280807413
Energy: 0.6213709383070936
Energy: 0.379117981890593
Energy: 0.6213709383070936
Energy: 0.4285216943988941
Energy: 0.8727257951535015
Energy: 0.19442378205405386
Energy: 0.8727257951535015
Energy: 0.39463241098476465
Energy: 0.4796161673785549
Energy: 0.3939435072966941
Energy: 0.47961616738021573
Energy: -0.04578961595735816
Energy: 0.8791345231538054
Energy: 0.3920460404254189
Energy: 0.8791345231538054

minimum gb energy = -0.04578961595735816 eV
minimum distance =  2.19928467163984 Angstroms
sigma value = 13


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

Energy: 0.46166659349176303
Energy: 0.8230479315386419
Energy: -0.5744817531629635
Energy: 0.8230479315295923
Energy: 0.05149481727588517
Energy: 0.8497390253184299
Energy: -0.2309114550349696
Energy: 0.8497390253191262
Energy: 0.42687397441677205
Energy: 0.8230508324960547
Energy: -0.4191040819538413
Energy: 0.8230508325051042
Energy: -0.3394306230272244
Energy: 0.8609544418573379
Energy: -0.4959437798139597
Energy: 0.8609544418343659
Energy: -0.14135401347011206
Energy: 0.49752582636549825
Energy: -0.047997718331031954
Energy: 0.49753424861493967
Energy: -0.438345920694606
Energy: 0.6618150251510114
Energy: -0.23234452142674772
Energy: 0.6618150257187924
Energy: -0.30731192870523144
Energy: 0.9692912723252296
Energy: 0.04112497800989553
Energy: 0.9692912723252296
Energy: -0.4688212696955808
Energy: 0.84985879156605
Energy: -0.22861718993576052
Energy: 0.8498587915688345
Energy: -0.2978113418561718
Energy: 0.8241699361364678
Energy: -0.15406864545404633
Energy: 0.8241699360536928
Energy: -0.2836488811547063
Energy: 0.6864571441035795
Energy: -0.20791422565699713
Energy: 0.6864571289258156
Energy: -0.32142502308608417
Energy: 0.6496139874722521
Energy: -0.3359314464802203
Energy: 0.6496139874625064
Energy: 0.11824959942853429
Energy: 0.6727763603996494
Energy: -0.4661765317979828
Energy: 0.6727763590066493
Energy: 0.26149846858701287
Energy: 0.8412482316834512
Energy: -0.3924200175694995
Energy: 0.841248231682755
Energy: 0.1950832823288059
Energy: 0.7003610920900676
Energy: -0.5008910486136906
Energy: 0.7003610920935481
Energy: -0.32187479466856234
Energy: 0.8138828915312327
Energy: -0.5514575931129229
Energy: 0.8138828915319288
Energy: -0.35894345063291816
Energy: 0.6822812805307703
Energy: -0.3850399601518634
Energy: 0.6822812805258976
Energy: -0.13742507253600422
Energy: 0.9575174905418847
Energy: -0.37469071957611694
Energy: 0.9575174905404924
Energy: -0.40944644721350787
Energy: 0.8407820304015674
Energy: -0.239832817168385
Energy: 0.8407820304001753
Energy: -0.15307346601124325
Energy: 0.8223280651606111
Energy: -0.2476234716648568
Energy: 0.8223280651508654
Energy: -0.1424510338928766
Energy: 0.8195656626790051
Energy: -0.2500151600414328
Energy: 0.8195656626817263
Energy: -0.4048310738586321
Energy: 0.8534287696499577
Energy: -0.24474465880809834
Energy: 0.8534287696506538
Energy: -0.14618076735699792
Energy: 0.9472909246045333
Energy: -0.39792907663632004
Energy: 0.9472909246045333
Energy: -0.3464518213971442
Energy: 0.6817044022093833
Energy: -0.3886713284859624
Energy: 0.6817044023784772
Energy: -0.12003152999842429
Energy: 0.7729362516280573
Energy: -0.45998221116802074
Energy: 0.772936251672609
Energy: 0.20190485922372492
Energy: 0.6926922409823872
Energy: -0.48594194935943374
Energy: 0.692692242040047
Energy: 0.23014046606513777
Energy: 0.8438925250051529
Energy: -0.453282676889454
Energy: 0.8438925250782454
Energy: 0.05106076185065345
Energy: 0.6336826336376401
Energy: -0.45844419306149914
Energy: 0.6336826336647254
Energy: -0.03027500701039815
Energy: 0.6671124280504735
Energy: -0.3946655579441343
Energy: 0.6671124280518657
Energy: -0.2892455454358702
Energy: 0.6781045364095827
Energy: -0.17539260610679228
Energy: 0.6781045366050659
Energy: -0.1382076862516241
Energy: 0.8263040466287033
Energy: 0.2873693900497403
Energy: 0.8263040465688369
Energy: -0.38440723331401255
Energy: 0.7562268599105996
Energy: -0.2320571588902878
Energy: 0.7562268437344093
Energy: -0.1326554133389944
Energy: 0.9673633530752727
Energy: 0.1466689381042092
Energy: 0.9673633530043317
Energy: -0.45650656135022005
Energy: 0.7262830534492388
Energy: -0.25492756351667073
Energy: 0.7262830534527195
Energy: -0.307282465519312
Energy: 0.44854945831988446
Energy: 0.29926007032437013
Energy: 0.4485503565745891
Energy: -0.3082869223299648
Energy: 0.8686526004102859
Energy: -0.17358972947516532
Energy: 0.8686526004123744

minimum gb energy = -0.5744817531629635 eV
minimum distance =  2.19948579400343 Angstroms
sigma value = 37


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

Energy: 0.5899739561327372
Energy: 0.626793571237805
Energy: -0.35154461942946597
Energy: 0.6267935712366073
Energy: 0.6579137001991218
Energy: 0.713817685183974
Energy: 0.32125927156172124
Energy: 0.713817685183974
Energy: 0.3676438134526408
Energy: 0.9769437102235694
Energy: 0.1290677384078964
Energy: 0.9769437102235694
Energy: 0.2025919398936433
Energy: 0.590452124136188
Energy: 0.19811987102265233
Energy: 0.5904521241337928
Energy: 0.1862035217427742
Energy: 0.7195376548745921
Energy: 0.1994539068020965
Energy: 0.7195376548159345
Energy: -0.13747114195931237
Energy: 0.8680078840107762
Energy: 0.3204969761740236
Energy: 0.8680078840107762
Energy: 0.2217135194099313
Energy: 1.0737537205787966
Energy: 0.6424982595898121
Energy: 1.0737537205787966
Energy: 0.07273007359378916
Energy: 0.3756981820218605
Energy: 0.37810526462197347
Energy: 0.3756981820206629
Energy: -0.0027285315529105678
Energy: 0.6993667381369042
Energy: 0.489450218793499
Energy: 0.6993667381452877
Energy: 0.10717859603066275
Energy: 0.7174150958177126
Energy: 0.3241354677400671
Energy: 0.7174150958177126
Energy: 0.23410469358869102
Energy: 0.9726578886603283
Energy: 0.1752627931268669
Energy: 0.972657888661526
Energy: 0.46064347966249947
Energy: 0.7181938032970713
Energy: 0.18622023116323697
Energy: 0.7181938033090478
Energy: 0.34361679146503166
Energy: 0.8781906726775723
Energy: -0.09461218200926863
Energy: 0.8781906726775723
Energy: 0.6247193422483822
Energy: 1.073244470740731
Energy: 0.16799690484416077
Energy: 1.073244470740731
Energy: 0.5812504575707728
Energy: 0.6241584638537436
Energy: 0.08330837551882733
Energy: 0.6241584638753015
Energy: 0.48058011371622916
Energy: 0.6581570324209578
Energy: -0.009546143926870513
Energy: 0.6581570324209578
Energy: 0.3399856908285447
Energy: 0.7184208869799962
Energy: -0.18827450860939202
Energy: 0.7184208869787985
Energy: 0.16453765328335362
Energy: 0.9696821497421096
Energy: 0.19878088320801499
Energy: 0.9696821497421096
Energy: 0.23925007097082177
Energy: 0.6595974476572709
Energy: 0.1311975520465161
Energy: 0.6595974476524802
Energy: 0.13284238927491795
Energy: 0.9430795035745649
Energy: 0.32581676353974837
Energy: 0.9430795035745649

minimum gb energy = -0.35154461942946597 eV
minimum distance =  2.20794095842793 Angstroms
sigma value = 25


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

Energy: 0.29285082409852675
Energy: 0.7465570303732592
Energy: -0.5264349780257459
Energy: 0.7465570303732592
Energy: 0.13384115018712905
Energy: 0.7453560110026943
Energy: 0.2280984695679858
Energy: 0.7453560110045647
Energy: 0.24766722695996007
Energy: 0.023500359333557066
Energy: -0.4638554889845899
Energy: 0.023500359334492273
Energy: -0.18434691576180248
Energy: 0.7790493694484817
Energy: 0.22650734388819954
Energy: 0.7790493694494169
Energy: 0.20823929205834396
Energy: 0.8076020772074116
Energy: -0.2670826277410332
Energy: 0.8076020772064765
Energy: -0.5419913032817252
Energy: 0.7982361212077348
Energy: 0.22786309216973716
Energy: 0.7982361212067997
Energy: 0.21850386608945488
Energy: 0.5583746683573907
Energy: -0.2272680972381317
Energy: 0.5583746671085054
Energy: -0.6782024809773016
Energy: 0.5835652109671858
Energy: 0.24911691024885935
Energy: 0.5835652109671858
Energy: 0.20700748734533378
Energy: 0.7840844816970178
Energy: 0.10158267545770445
Energy: 0.7840844816577391
Energy: -0.5734344200924983
Energy: 0.7761017213587234
Energy: 0.295700827689845
Energy: 0.7761017213577882
Energy: 0.21208889229167327
Energy: 0.540433358868028
Energy: 0.0815990335232885
Energy: 0.5404333588708338
Energy: -0.49979741996004867
Energy: 0.8316805213265571
Energy: 0.2479124934090022
Energy: 0.8316805213265571
Energy: 0.20866058032701673
Energy: 0.7827670117998012
Energy: -0.1656951346693844
Energy: 0.7827670117988661
Energy: -0.20012234045032049
Energy: 0.7898865745070258
Energy: 0.2274819282432
Energy: 0.7898865745051554
Energy: 0.22496822415429044
Energy: 0.5363302369761045
Energy: -0.5445432779148094
Energy: 0.5363302369835861
Energy: 0.22943570319208925
Energy: 0.8102033818197865
Energy: 0.21495290954257965
Energy: 0.8102033818188513
Energy: 0.2088349799230703
Energy: 0.5811739583790609
Energy: -0.6727857080617236
Energy: 0.5811739583781257
Energy: 0.07660992042083073
Energy: 0.7908742267882881
Energy: 0.2254736570310554
Energy: 0.7908742267882881
Energy: 0.30892524955211986
Energy: 0.7799390759855799
Energy: -0.48867865694990303
Energy: 0.7799390759855799
Energy: 0.14260551277593592
Energy: 0.7987914386259123
Energy: 0.17139695110134748
Energy: 0.7987914386268473
Energy: 0.2093014461705911
Energy: 0.8187010141704477
Energy: -0.6084180103947054
Energy: 0.8187010141713831
Energy: -0.23731849366583463
Energy: 0.7589069874093562
Energy: 0.22901287538077342
Energy: 0.7589069748616276
Energy: 0.18338191383229985
Energy: 0.15742066222055676
Energy: -0.24180943778018782
Energy: 0.15749561135584483
Energy: -0.2109404219116379
Energy: 0.8010828464669741
Energy: 0.183734561530928
Energy: 0.8010828464679093
Energy: -0.31195154108089146
Energy: 0.8184548688824894
Energy: 0.18931742805278448
Energy: 0.8184548688881007
Energy: -0.1473524849604691
Energy: 0.5789852908244651
Energy: 0.18815342091768142
Energy: 0.5789852908244651

minimum gb energy = -0.6782024809773016 eV
minimum distance =  2.21451401400055 Angstroms
sigma value = 41


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

Energy: 0.1696462434156859
Energy: 0.5887194246781736
Energy: -0.646234168573904
Energy: 0.5887194246521051
Energy: -0.2594020281152735
Energy: 0.6434757793957325
Energy: -0.45709451436615695
Energy: 0.6434757793957325
Energy: -0.196076587122167
Energy: 0.5386076406442417
Energy: -0.4116523616852441
Energy: 0.5386076406442417
Energy: -0.4971978436292457
Energy: 0.5978141071058275
Energy: -0.46853753496643546
Energy: 0.5978141071050608
Energy: -0.0923024741365026
Energy: 0.6704778554469738
Energy: -1.2596090687639294
Energy: 0.6704778554477405
Energy: -0.8102790252246664
Energy: 0.6036832978730678
Energy: -0.4623800875240102
Energy: 0.603683297861567
Energy: -0.3273704378950842
Energy: 0.5669653336214898
Energy: -0.27358499737113906
Energy: 0.5669653336191898
Energy: -0.42969531280619927
Energy: 0.43642084730565633
Energy: -0.4113217383411399
Energy: 0.4364208473562248
Energy: -0.6374991479742114
Energy: 0.004467783612245662
Energy: -0.5250520888108802
Energy: 0.005083295675718262
Energy: -0.7763850344792743
Energy: 0.6137625663845236
Energy: -0.19950265477606566
Energy: 0.6137625663837568
Energy: -0.646614723970995
Energy: 0.6481478913543557
Energy: -0.14817147596705615
Energy: 0.6481478913627896
Energy: -0.41122391930097035
Energy: 0.6167137022879332
Energy: 0.27115552727949205
Energy: 0.6167137022879332
Energy: -0.22671697824720977
Energy: -0.021863945919656187
Energy: -0.26311626191153387
Energy: -0.021861991498511698
Energy: -0.4413217031207269
Energy: 0.18790351345346146
Energy: -0.18476477593838345
Energy: 0.18791031561437943
Energy: -0.28013653567845886
Energy: 0.5620318763345076
Energy: -0.4720738222493541
Energy: 0.5620318763283739
Energy: -0.2240507297658829
Energy: 0.15263172890131804
Energy: -0.4699442463975212
Energy: 0.1526316938066131
Energy: -0.3825270505256739
Energy: 0.6050994581754034
Energy: -0.7940510404234153
Energy: 0.6050994600959606
Energy: -0.14920445239325053
Energy: 0.05213504764338617
Energy: -0.5745809322421951
Energy: 0.051853716262864655
Energy: -0.3623565624775284
Energy: 0.42808423191937817
Energy: -0.4702544206979088
Energy: 0.42808423188337735
Energy: 0.07128663837784369
Energy: 0.023546815051969348
Energy: -0.6128866842744998
Energy: 0.023551782860013387
Energy: -0.055069801728521314
Energy: 0.6126154455299266
Energy: -0.9232824610185628
Energy: 0.6126154455038582
Energy: -0.23922926404207484
Energy: 0.4927469789675159
Energy: -0.45665992318356935
Energy: 0.4927469858388359
Energy: 0.10626112096124507
Energy: 0.6052924407741651
Energy: -0.5236095446459034
Energy: 0.6052924407741651
Energy: -0.2403915642266915
Energy: 0.6766548766398112
Energy: -0.5451172044869563
Energy: 0.6766548766398112
Energy: -0.039774476883857934
Energy: 0.6398338167815176
Energy: -0.9277625422982181
Energy: 0.6398338167807509
Energy: -0.4646191971052532
Energy: 0.647936303145646
Energy: -0.4072386470667271
Energy: 0.6479363031448794
Energy: -0.43671761037689516
Energy: 0.6162133403802815
Energy: -0.23103894850900827
Energy: 0.6162133403787481
Energy: -0.19935356568630147
Energy: 0.6305124292742569
Energy: -0.6348361719431936
Energy: 0.6305124292750236
Energy: -0.05587772327330206
Energy: 0.6366028430991821
Energy: -0.17242531544601428
Energy: 0.6366028430654815
Energy: -0.4918774236307457
Energy: 0.6294743442332659
Energy: -0.3931882808390201
Energy: 0.629474344181896
Energy: -0.5075521668598076
Energy: 0.11859343018054075
Energy: 0.0697038926080567
Energy: 0.11873102222944003
Energy: -0.46504044961042745
Energy: 0.6345698242639478
Energy: -0.21213194596148363
Energy: 0.6345698242616477

minimum gb energy = -1.2596090687639294 eV
minimum distance =  2.2089596987634 Angstroms
sigma value = 15


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

Energy: 0.24302031390255932
Energy: -0.4083428744547174
Energy: -1.6702991717653566
Energy: -0.6812523118760997
Energy: -0.6321615874851091
Energy: -0.5527965083724825
Energy: -0.8252953394140488
Energy: -0.6144757726652709
Energy: -0.5943773787715465
Energy: 0.4749360750086137
Energy: -1.0531661692904395
Energy: 0.47493607500016993
Energy: -0.74732378587604
Energy: -0.7095918498145144
Energy: -0.7684313382221231
Energy: -0.8798096326459377
Energy: -0.970346678402918
Energy: -0.5298712453602892
Energy: -0.7942687349390326
Energy: -0.5298709630301373
Energy: -0.9012039500294782
Energy: -0.4424904207527228
Energy: -0.8875695655956752
Energy: -0.626677622891215
Energy: -0.7707393788918755
Energy: -0.6867536595471725
Energy: -1.1194873341154576
Energy: -0.7518128776363732
Energy: -0.9971556905445712
Energy: 0.47782634326356177
Energy: -0.7406663889105471
Energy: 0.47782634325057144
Energy: -1.3004177869232527
Energy: -0.3494698101364236
Energy: -1.0131804001301206
Energy: -0.22345466490550386
Energy: -1.3708326516011873
Energy: -0.6253964056899649
Energy: -0.934365508223654
Energy: -0.6282951138072286
Energy: -0.8255835310539755
Energy: -1.0263417044776253
Energy: -0.6700837977780209
Energy: -0.9814781542310711
Energy: -1.1406671637206254
Energy: -0.9568346150069292
Energy: -0.7574660434786739
Energy: -0.8225649831528212
Energy: -1.3443128258581032
Energy: 0.5267578840894118
Energy: -0.8328783211609013
Energy: 0.5267578840900613
Energy: -1.2583802350767248
Energy: -0.608156225678245
Energy: 0.10305476440474563
Energy: -0.6367974075562625
Energy: -0.8172841225216797
Energy: -0.810634148971948
Energy: -0.5779603993153447
Energy: -0.6093701905443263
Energy: -1.1720898161926574
Energy: 0.5471126894361515
Energy: -0.7598625647937246
Energy: 0.5471126894348525
Energy: -1.239436976036842
Energy: 0.5419287916642191
Energy: -0.7738138025616045
Energy: 0.5419287916642191
Energy: -1.0489149618725297
Energy: -0.6129128137299932
Energy: -0.8611755926460173
Energy: -0.6087026338898142
Energy: -0.811548904903356
Energy: 0.5038557034107862
Energy: -0.8898108213163788
Energy: 0.5038557034133843
Energy: -1.2453737853101123
Energy: -0.7425644651196837
Energy: -0.7437385896299754
Energy: -0.8640851666662436
Energy: -0.8531642433551067
Energy: -0.3454035737266178
Energy: -1.0697996379262196
Energy: -0.17935720113670428
Energy: -0.5174337381286486
Energy: -0.7428660204931806
Energy: -1.4279566806721016
Energy: -0.741130427284935
Energy: -0.8194491844570901
Energy: 0.5173233561394284
Energy: -1.4299029725079817
Energy: 0.5173233561394284
Energy: -0.736059045108532
Energy: 0.525484805980885
Energy: -0.8016669075058318
Energy: 0.525484805980885
Energy: -0.003802039240010434
Energy: -0.26516076102847136
Energy: -1.4614390546352094
Energy: -0.19110228962451886
Energy: -0.4172074456074418
Energy: -0.37753868372098104
Energy: -1.248148364894528
Energy: -0.3821524001332719
Energy: 0.10723069361813835
Energy: -0.5983818675152341
Energy: -1.4181255685012542
Energy: -0.6299055348946356
Energy: -0.42534443811742045
Energy: -0.29868207249246603
Energy: -0.6946494034563292
Energy: -0.446307080705866
Energy: -0.006004910781449565
Energy: 0.5982110500817865
Energy: -1.1559403787410132
Energy: 0.5982110500830856
Energy: -0.5712845932119053
Energy: 0.5394474813919463
Energy: -1.2548855622519444
Energy: 0.5394474813919463
Energy: -0.05819361253194242
Energy: -0.7578395682599179
Energy: -1.044989657166978
Energy: -0.7593439113940411
Energy: -0.8764915696655262
Energy: -0.3388995822542643
Energy: -0.8809364829455191
Energy: -0.4477005451085359
Energy: -1.311544265025139
Energy: 0.5425705303417848
Energy: -1.021223079455582
Energy: 0.5425705303541256
Energy: -1.2569140665556562
Energy: -0.22005472928185354
Energy: -1.2557678193117416
Energy: -0.2870199190590684
Energy: -1.5941215876535708
Energy: 0.47447033670668926
Energy: -0.908638489268493
Energy: 0.4744703367839818
Energy: -1.4180992006421156
Energy: -0.34618159849072827
Energy: -0.21348001701960762
Energy: -0.4449628554019684
Energy: -0.8718227782394667
Energy: -0.32490287732596573
Energy: -0.766508010407763
Energy: -0.44246137949320824

minimum gb energy = -1.6702991717653566 eV
minimum distance =  2.27340737172262 Angstroms
sigma value = 85


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

Energy: 0.5837713786478231
Energy: 0.46802101552467484
Energy: -0.8951068166881815
Energy: 0.46802101552411157
Energy: 0.46286052257272187
Energy: 0.28837990177560063
Energy: -0.18321080837766915
Energy: 0.28838087537014634
Energy: 0.5403000149864328
Energy: 0.502072990805811
Energy: -0.6069057484108721
Energy: 0.502072990805811
Energy: -0.062007345752708234
Energy: 0.2247710181058823
Energy: -0.4460259642926207
Energy: 0.2247824737905367
Energy: 0.12008819410529373
Energy: 0.41132865930172235
Energy: -0.5224157243409312
Energy: 0.4113286593022857
Energy: -0.028076067784157353
Energy: 0.2830530255910145
Energy: -0.17611044580432042
Energy: 0.2830531589637615
Energy: 0.008447398697499033
Energy: 0.47998803747619123
Energy: -0.34415174323626824
Energy: 0.47998803754094826
Energy: -0.09707845676299794
Energy: 0.30049551635563143
Energy: 0.0695701463302468
Energy: 0.30049551648965217
Energy: 0.02159538234876714
Energy: 0.4358348928174941
Energy: -0.4603499624554695
Energy: 0.4358348928174941
Energy: -0.35573806860426876
Energy: 0.4683333319022229
Energy: 0.027747492104806558
Energy: 0.4683333319022229
Energy: -0.14602353787764547
Energy: 0.2862371970794311
Energy: 0.07241724884819767
Energy: 0.28623723792674155
Energy: -0.6129649970576916
Energy: 0.268535615108593
Energy: 0.16740371542342475
Energy: 0.26854152940472187
Energy: 0.010141739584185643
Energy: 0.46356386952397494
Energy: 0.016411360826746227
Energy: 0.4635638695960552
Energy: -1.0573817691149867
Energy: 0.46085865591656056
Energy: 0.08621813717526385
Energy: 0.46085865591487063
Energy: -0.06167023097498726
Energy: 0.4679015601774057
Energy: 0.28995979851985126
Energy: 0.46790156032043967
Energy: -0.47660564346375806
Energy: 0.45801712239463677
Energy: 0.447013331993544
Energy: 0.4580171224053401
Energy: 0.020040295209375242
Energy: 0.46024740299606415
Energy: 0.6408617527450938
Energy: 0.4602474029955008
Energy: -0.773465527112131
Energy: 0.43376709718824324
Energy: 0.10459419975688258
Energy: 0.43376709718767986
Energy: -0.01765510394980714
Energy: 0.29810253468907094
Energy: 0.026525289550619658
Energy: 0.29810266989071177
Energy: -0.4597847359700911
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Energy: 0.16083600513578028
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Energy: 0.4892559082803562
Energy: -0.16932066486343123
Energy: 0.4892559082797929
Energy: -0.4618211259710448
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Energy: 0.42608940183937233
Energy: -0.24777116016031595
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Energy: -0.25167560837709246
Energy: 0.3443057252307602
Energy: -0.1427667022998243
Energy: 0.3018736106953198
Energy: -0.13211451227756107
Energy: 0.3018736184866253
Energy: 0.05914366121772664
Energy: 0.26136734836109243
Energy: -0.5751032221883974
Energy: 0.262662347984049
Energy: 0.3050118672809287
Energy: 0.4792863669746208
Energy: 0.07100376570072478
Energy: 0.4792863669712408
Energy: 0.10464671835600739
Energy: 0.48014898145011037
Energy: -1.0460820060684413
Energy: 0.4801489814512371
Energy: 0.3882289348215869
Energy: 0.2242152849707516
Energy: -0.10242308730426843
Energy: 0.1892669921880556
Energy: 0.5831262477535082
Energy: 0.47441157964159
Energy: -0.5655268803198382
Energy: 0.47441157964327996
Energy: 0.4714681825217638
Energy: 0.4797977149740387
Energy: 0.069364817296997
Energy: 0.47979771497460205
Energy: 0.07941702817212276
Energy: 0.4621654823130211
Energy: -0.9811369863859045
Energy: 0.46216548231245774
Energy: 0.3788353624573025
Energy: 0.45716291021520716
Energy: -0.10898529444420728
Energy: 0.4571629101926741
Energy: 0.19203866326982305
Energy: 0.4347522015837931
Energy: -0.3344309901639135
Energy: 0.4347523363681875
Energy: 0.08352295146053579
Energy: 0.48175008783448764
Energy: -0.18112671800701838
Energy: 0.481750087835051
Energy: -0.15341363895729176
Energy: 0.4687684323857233
Energy: -0.3305804957370753
Energy: 0.4687684323778367
Energy: 0.04527467823677191
Energy: 0.4596133533520034
Energy: -0.10795257212019492
Energy: 0.4596133533536933
Energy: -0.04019098327527956
Energy: 0.4892397918203743
Energy: -0.040529373326615645
Energy: 0.4892397918085701
Energy: -0.3152978016472005
Energy: 0.34927696029566485
Energy: -0.15811358587786278
Energy: 0.3492769939851571
Energy: -0.10606495864119568
Energy: 0.5070608231298772
Energy: 0.22640012897129455
Energy: 0.5070608231034264
Energy: -0.6395583124219436
Energy: 0.2238969383546271
Energy: 0.1881760865016332
Energy: 0.22471291137039917
Energy: -0.03741775929145396
Energy: 0.4875834316183748
Energy: 0.34851330949558323
Energy: 0.48758343161724815

minimum gb energy = -1.0573817691149867 eV
minimum distance =  2.2415030235614 Angstroms
sigma value = 113


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

Energy: 0.017067048009807014
Energy: 0.017759641150679014
Energy: 0.4550247229106825
Energy: 0.017759641150245954
Energy: 0.45353629684664926
Energy: 0.08238602116057986
Energy: -5.340110352096905
Energy: 0.08238602116057986
Energy: 0.017067048009807014
Energy: 0.017759641150245954
Energy: 0.454954609765835
Energy: 0.017759641150245954
Energy: 0.45353629684751534
Energy: 0.08238602116057986
Energy: -5.340110352096495
Energy: 0.08238602116057986
Energy: 0.017067048009807014
Energy: 0.017759641150679014
Energy: -1.3417772934736858
Energy: 0.017759641150245954
Energy: 0.45353629684624025
Energy: 0.08238602116057986
Energy: -5.340110352096495
Energy: 0.08238602116057986

minimum gb energy = -5.340110352096905 eV
minimum distance =  2.55705200073874 Angstroms
sigma value = 1