Model name: model_name=MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000003278256
cohesive_energy=4.450349977971173
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.020540117496952826
Energy: 1.5044075792747853
Energy: 1.5044075792747853
Energy: 0.020540117496952826
Energy: 1.5044075792732607
Energy: 1.5044075792747853
Energy: 0.020540117495428244
Energy: 1.5044075792747853
Energy: 1.5044075792747853
Energy: 0.020540117496952826
Energy: 2.2103047137266594
Energy: 0.024328389357039598
Energy: 1.507090071075923
Energy: 2.210304713728184
Energy: 0.024328389357039598
Energy: 1.507090071075923
Energy: 2.210304713728184
Energy: 0.024328389357039598
Energy: 1.507090071075923
Energy: 2.210304713728184
Energy: 2.7200611843596505
Energy: 2.25034554884955
Energy: 2.132474466304295
Energy: 2.6921357032976823
Energy: 2.2503455488510746
Energy: 2.25034554884955
Energy: 1.8343780487798451
Energy: 1.9207683774235282
Energy: 1.9687581312096034
Energy: 1.710841476754444
Energy: 2.210304713728184
Energy: 1.507090071075923
Energy: 0.024328389357039598
Energy: 2.2103047137266594
Energy: 1.507090071075923
Energy: 0.024328389357039598
Energy: 2.210304713728184
Energy: 1.507090071075923
Energy: 0.024328389357039598
Energy: 2.2103047137266594
Energy: 0.020540117496952826
Energy: 1.5044075792747853
Energy: 1.5044075792747853
Energy: 0.020540117496952826
Energy: 1.5044075792747853
Energy: 1.5044075792747853
Energy: 0.020540117496952826
Energy: 1.5044075792747853
Energy: 1.5044075792747853
Energy: 0.020540117496952826
Energy: 2.210304713728184
Energy: 0.024328389357039598
Energy: 1.507090071075923
Energy: 2.210304713728184
Energy: 0.024328389357039598
Energy: 1.507090071075923
Energy: 2.210304713728184
Energy: 0.024328389357039598
Energy: 1.507090071075923
Energy: 2.210304713728184
Energy: 1.790453374606773
Energy: 2.0674718272446575
Energy: 1.3719711705312956
Energy: 1.790673087388781
Energy: 2.0674718272446575
Energy: 1.3719711705312956
Energy: 1.9043687079289886
Energy: 2.0674718272446575
Energy: 1.8401305853961838
Energy: 1.805112426025399

minimum gb energy = 0.020540117495428244 eV
minimum distance =  2.13183123425663 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 3.3079086042193975
Energy: 3.3333688081553055
Energy: 2.3104629286451828
Energy: 3.3079086042193975
Energy: 3.3333688081553055
Energy: 2.3895423535560654
Energy: 3.307908604215663
Energy: 3.3333688081553055
Energy: 2.310462928641448
Energy: 2.4909777852626647
Energy: 2.0298183762809936
Energy: 2.2409801504488462
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Energy: 2.0298183762809936
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Energy: 2.2409801504488462
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Energy: 2.2188774738941364
Energy: 2.455881951741593
Energy: 2.545581711040407
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Energy: 2.545581711040407
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Energy: 2.545581711040407
Energy: 2.2246071771490534
Energy: 2.7758358732050707
Energy: 2.9125564329171847
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Energy: 2.9125564329171847
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Energy: 2.9125564329134503
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Energy: 2.7758358732050707
Energy: 1.9636223123384027
Energy: 2.376820474958595
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Energy: 3.0280674758502957
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Energy: 2.4687824786310415
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Energy: 2.2256456022962925
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Energy: 2.9310167341943374
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Energy: 2.8189580968378873
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Energy: 2.8189580968378873
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Energy: 2.8189580968378873
Energy: 2.9367894225628945
Energy: 2.0628548163925386
Energy: 2.433639179471406
Energy: 2.3693626920496547
Energy: 2.0628548163925386
Energy: 2.4369235821207904
Energy: 2.369717687771742
Energy: 2.0628548163925386
Energy: 2.433639179471406
Energy: 2.3693626920496547
Energy: 2.062854816388804
Energy: 2.873216001477221
Energy: 2.391070519852615
Energy: 2.8355034781550086
Energy: 2.873216001480955
Energy: 2.391070519852615
Energy: 2.8355034781550086
Energy: 2.873216001477221
Energy: 2.391070519852615
Energy: 2.8355034781550086
Energy: 2.873216001477221
Energy: 2.450463485371873
Energy: 2.445342165316065
Energy: 2.405014080025256
Energy: 2.4504634853681386
Energy: 2.445342165316065
Energy: 2.4050140800364597
Energy: 2.450463485371873
Energy: 2.445342165316065
Energy: 2.4050140800289905
Energy: 2.4504634853681386
Energy: 2.4771406366643838
Energy: 2.3395729960676146
Energy: 2.2161537028656477
Energy: 2.4771406366643838
Energy: 2.33957299606388
Energy: 2.2315442777814263
Energy: 2.4771406366643838
Energy: 2.33957299606388
Energy: 2.2161537028656477
Energy: 2.47714063666065
Energy: 2.310462928686262
Energy: 3.3079086042193975
Energy: 3.3333688081553055
Energy: 2.310462928686262
Energy: 3.307908604215663
Energy: 3.3333688081553055
Energy: 2.310462928689996
Energy: 3.307908604215663
Energy: 3.3333688081553055
Energy: 2.3104629286825276
Energy: 2.49097778525893
Energy: 2.029818376284728
Energy: 2.24098015046005
Energy: 2.49097778525893
Energy: 2.029818376284728
Energy: 2.24098015046005
Energy: 2.49097778525893
Energy: 2.029818376288462
Energy: 2.2409801504563154
Energy: 2.4909777852551955
Energy: 2.193628520777517
Energy: 2.455881951741593
Energy: 2.545581711040407
Energy: 2.231722826370293
Energy: 2.455881951737858
Energy: 2.5455817110366725
Energy: 2.193628520833534
Energy: 2.4558819517341237
Energy: 2.5455817110366725
Energy: 2.231722826370293
Energy: 2.775835873201336
Energy: 2.9125564329358578
Energy: 2.2451250359857196
Energy: 2.775835873201336
Energy: 2.912556432939524
Energy: 2.2451250359857196
Energy: 2.7758358732050707
Energy: 2.912556432932123
Energy: 2.2451250359857196
Energy: 2.7758358732050707

minimum gb energy = 1.963622312334668 eV
minimum distance =  2.33814461265331 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.609485430909392
Energy: 2.63438997080149
Energy: 2.4274811586900293
Energy: 2.514106759955926
Energy: 2.63438997080149
Energy: 2.4274811586900293
Energy: 2.609485430909392
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minimum gb energy = 1.7513172476439982 eV
minimum distance =  2.21040993702811 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 2.59336629883117
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Energy: 2.6005270407984256
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Energy: 2.2992797439221073
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Energy: 2.3000547795634856
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Energy: 2.5257164679940898
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Energy: 2.5257164679920336
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Energy: 2.4127328521763
Energy: 2.5257164679940898
Energy: 2.097515846370867
Energy: 2.412732852174244
Energy: 2.2731184463319867
Energy: 2.5564272417425946
Energy: 2.5128911403683944
Energy: 2.2731184463340424
Energy: 2.5839745384076145
Energy: 2.5128911403683944
Energy: 2.2731184463340424
Energy: 2.5564272417425946
Energy: 2.5128911403683944
Energy: 2.2731184463340424
Energy: 2.4817947132788216
Energy: 2.41405788830885
Energy: 2.698644401463347
Energy: 2.4817947132788216
Energy: 2.417827375536136
Energy: 2.698644401463347
Energy: 2.4817947132788216
Energy: 2.41405788830885
Energy: 2.6986444014613284
Energy: 2.4817947132767664
Energy: 2.7433728462072464
Energy: 2.1179696972771365
Energy: 3.183321743146047
Energy: 2.7433728462072464
Energy: 2.1139624333624596
Energy: 3.183321743146047
Energy: 2.7433728462072464
Energy: 2.1179696972791926
Energy: 3.183321743146047
Energy: 2.7433728462093017

minimum gb energy = 1.9962159760547837 eV
minimum distance =  2.31860641441883 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.962997714020553
Energy: 3.2055938247392852
Energy: 3.159298186986917
Energy: 1.9523296327745192
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Energy: 1.962997714019142
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Energy: 2.0331947588719936
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Energy: 2.8088522364794626
Energy: 2.0331947588734054
Energy: 3.224955731392232
Energy: 2.8088522364766395
Energy: 2.9331221332110475
Energy: 2.7328837829435693
Energy: 2.4966261916062833
Energy: 2.9331221332089306
Energy: 2.7328837829435693
Energy: 2.4966261916034607
Energy: 2.933122133209636
Energy: 2.732883782942863
Energy: 2.496626191602755
Energy: 2.933122133207519
Energy: 2.3083521102759974
Energy: 3.0443229714890583
Energy: 2.4008937683938325
Energy: 2.3083521102767026
Energy: 3.044322971489764
Energy: 2.4008937683910094
Energy: 2.3083521102781144
Energy: 3.0443229714883526
Energy: 2.4008937683931273
Energy: 2.3083521102767026
Energy: 1.9523296327738133
Energy: 3.2055938247392852
Energy: 3.159298186986917
Energy: 1.9523296327745192
Energy: 3.2055938247385796
Energy: 3.1592981869876224
Energy: 1.9523296327745192
Energy: 3.2055938247392852
Energy: 3.1592981869876224
Energy: 1.9523296327745192

minimum gb energy = 1.7844030423729793 eV
minimum distance =  2.34936615429287 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

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Energy: 2.7886379443326983
Energy: 1.6802142903499542
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Energy: 2.1670953310288024
Energy: 2.758409809697806
Energy: 2.875644255868791
Energy: 2.8029854138405974
Energy: 1.6892620794758193
Energy: 2.875644255868791
Energy: 2.802985413843335
Energy: 1.6468478799715887
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Energy: 1.6892620794758193
Energy: 2.875644255868791
Energy: 2.0178150760667726
Energy: 2.344739640098882
Energy: 2.2888431835724936
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Energy: 2.3447396401891942
Energy: 2.2888431835779706
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Energy: 1.5273744619787806
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Energy: 2.3616958287893377
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Energy: 1.527374459099445
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Energy: 1.9515191568230141
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Energy: 1.9515191568230141
Energy: 2.806742847270318
Energy: 2.4378634965492
Energy: 1.9515191568257526
Energy: 2.80674284726758
Energy: 2.4378634965519383
Energy: 3.2373338920240724
Energy: 1.7951835901368152
Energy: 2.3368373794783746
Energy: 3.2373338920240724
Energy: 1.795183590134077
Energy: 2.3368373794756363
Energy: 3.2373338920240724
Energy: 1.7951835901368152
Energy: 2.3368373794783746
Energy: 3.2373338920213346
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Energy: 2.754421734671607
Energy: 1.6849508026377675
Energy: 2.826471807202604
Energy: 2.7544217346743456
Energy: 1.7319212236615062
Energy: 2.8264718071998653
Energy: 2.7544217346743456
Energy: 1.6849508026377675
Energy: 2.826471807202604
Energy: 1.6295202382937415
Energy: 2.5177369717247062
Energy: 2.376891145955417
Energy: 1.6295202382937415
Energy: 2.5843974201910953
Energy: 2.3330213334612777
Energy: 1.6295202382937415
Energy: 2.5177369717219675
Energy: 2.3768911459581554
Energy: 1.6295202382910032
Energy: 1.961953135238678
Energy: 2.7893325138390566
Energy: 2.594746163531612
Energy: 1.961953135238678
Energy: 2.7752208204866435
Energy: 2.6002834705618567
Energy: 1.96195313523594
Energy: 2.7893325138390566
Energy: 2.5947461635343503
Energy: 1.9619531352332016
Energy: 2.6685469666847372
Energy: 1.8317125805291004
Energy: 2.5589652077510974
Energy: 2.6685469666874755
Energy: 1.8233796262684598
Energy: 2.5589652077510974
Energy: 2.6685469666874755
Energy: 1.8317125805291004
Energy: 2.5589652077510974
Energy: 2.6685469666847372
Energy: 2.363038281236874
Energy: 1.6837319506267716
Energy: 2.4858282532634326
Energy: 2.363038281236874
Energy: 1.6795886064097576
Energy: 2.4858282532634326
Energy: 2.363038281236874
Energy: 1.6837319506240334
Energy: 2.4858282532634326
Energy: 2.363038281236874
Energy: 2.6953359584801495
Energy: 2.765852067252592
Energy: 1.5071205938578158
Energy: 2.7165568364728263
Energy: 2.7658520672580686
Energy: 1.5071205938578158
Energy: 2.77310061496498
Energy: 2.7658520672580686
Energy: 1.507120593860554
Energy: 2.77310061496498

minimum gb energy = 1.4636621346558165 eV
minimum distance =  2.31516482884577 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.1967612878070313
Energy: 2.063304640640331
Energy: 2.9729910205733163
Energy: 0.8595593845037012
Energy: 2.0633046406266793
Energy: 2.9729910205067123
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Energy: 2.0633046406321753
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Energy: 0.8595593845037012
Energy: 1.0935497418658255
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Energy: 1.7212919956058683
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Energy: 1.5261536657082104
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Energy: 1.6089275935298706
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Energy: 0.86467179416551
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Energy: 1.598418045223247
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Energy: 1.2718248227706814
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Energy: 1.0979429500825013
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Energy: 1.1266497072330146
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Energy: 0.7551285971747529
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Energy: 0.7507625993168704
Energy: 2.0633046406370803
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Energy: 0.7551285971741027
Energy: 2.0633046406435813
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Energy: 0.7507625993175205
Energy: 1.628089159964405
Energy: 1.6333092244930427
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Energy: 0.9880379686926788
Energy: 1.6708030121516475
Energy: 1.8744287627971374
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Energy: 1.384247275732778
Energy: 0.9880380349944837
Energy: 1.6708030121532433
Energy: 1.8744287628042882
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Energy: 2.0598446336719483
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Energy: 2.0621681861226824
Energy: 1.184605138450044
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Energy: 1.6200623411822215
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Energy: 0.8622187267898236
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Energy: 1.6200623412484714
Energy: 3.0097476196504633
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Energy: 1.6102975663527925
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Energy: 1.5261536656370558
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Energy: 1.2387962925278517
Energy: 2.8934387194421047
Energy: 1.7988877233065228
Energy: 1.2131077983885417
Energy: 2.8934387194418094
Energy: 1.7986634919838027
Energy: 1.2387962919713185
Energy: 2.8934387194418094
Energy: 1.7988846579591136
Energy: 2.3933489598188893
Energy: 0.8669489752365057
Energy: 2.0650468290822914
Energy: 2.3933489598650457
Energy: 0.917073107152613
Energy: 2.0650468290351305
Energy: 2.3933489598555897
Energy: 0.8669489752339054
Energy: 2.0650468289795776
Energy: 2.3933489599039914
Energy: 1.746007629121985
Energy: 1.6606883421586347
Energy: 1.598418027513291
Energy: 1.651378369204258
Energy: 1.617936591940596
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Energy: 1.746007629135637
Energy: 1.6606883421615897
Energy: 1.598418035790135
Energy: 1.6513783694638198
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Energy: 1.2329715467242746
Energy: 0.9872873703145087
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Energy: 1.3032007861921788
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Energy: 2.063304640636076
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Energy: 0.8595593845040558
Energy: 1.0935497420718439
Energy: 1.633309223939701
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Energy: 1.1524100329110682
Energy: 2.559915700984148
Energy: 2.060434890841436
Energy: 1.247426312286387
Energy: 2.559915700984502
Energy: 2.0597546724542726
Energy: 1.3109722274885829
Energy: 2.5599157009838525
Energy: 2.0620758200930847
Energy: 1.2474263122132818
Energy: 2.5599157009847975
Energy: 1.6200623411679196
Energy: 3.0097476196524138
Energy: 0.9167921876056578
Energy: 1.6200623411851174
Energy: 3.0097476196520594
Energy: 0.8665895709609037
Energy: 1.6200623412819801
Energy: 3.009747619651114
Energy: 0.9167921875160051
Energy: 1.6200623413641277
Energy: 1.5261536656357555
Energy: 2.202498599926633
Energy: 1.6089275935301661
Energy: 1.5261536656124115
Energy: 2.2376316185619975
Energy: 1.5955776443901413
Energy: 1.526153665612707
Energy: 2.202498599926338
Energy: 1.6089275935275658
Energy: 1.526153665588654
Energy: 1.7988830524969803
Energy: 1.2087219157189046
Energy: 2.8934387194418094
Energy: 1.798885706960199
Energy: 1.2064802779931914
Energy: 2.8934387194411593
Energy: 1.7988837414995844
Energy: 1.2087219157205593
Energy: 2.893438719443405
Energy: 1.7988846608146487
Energy: 2.3933489598669957
Energy: 0.8646717941690558
Energy: 2.065046829121237
Energy: 2.393348959830236
Energy: 0.8624971166619466
Energy: 2.065046829053983
Energy: 2.393348959852339
Energy: 0.864671794169706
Energy: 2.0650468290127315
Energy: 2.3933489599101967
Energy: 1.6663294555271764
Energy: 1.6342985412732773
Energy: 1.59841802625561
Energy: 1.6361820405783678
Energy: 1.6321331107290327
Energy: 1.5984180310995828
Energy: 1.6663294555261718
Energy: 1.6342985412716817
Energy: 1.5984180329072963
Energy: 1.6361820405764174
Energy: 1.4022060661720965
Energy: 1.2718248223704054
Energy: 0.9872865716360232
Energy: 1.314943889096375
Energy: 1.0979429500282485
Energy: 0.9872838229744813
Energy: 1.4022060661158935
Energy: 1.2718248226569755
Energy: 0.9872837145910904
Energy: 1.314943889113277
Energy: 1.1266497072320099
Energy: 2.851223159045161
Energy: 2.104452339675152
Energy: 1.0964339431804253
Energy: 2.8512231590458113
Energy: 2.1044523411586504
Energy: 1.1266497072336648
Energy: 2.851223159044866
Energy: 2.1044523331369356
Energy: 1.09643394317812

minimum gb energy = 0.7507625993168704 eV
minimum distance =  2.28200856666011 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.353466843603224
Energy: 3.05884434073772
Energy: 3.046495885941549
Energy: 1.413751284688789
Energy: 3.0588443407412886
Energy: 3.0464958859451183
Energy: 1.353466843615715
Energy: 3.0588443407359356
Energy: 3.0464958859379805
Energy: 1.4137512846870046
Energy: 2.202433629243307
Energy: 1.7365968733028851
Energy: 2.75679552655983
Energy: 2.2024336292415225
Energy: 1.7365968733028851
Energy: 2.75679552655983
Energy: 2.202433629243307
Energy: 1.7365968733011006
Energy: 2.7567955265616146
Energy: 2.2024336292450912
Energy: 2.6251464298602034
Energy: 1.6627275282583354
Energy: 2.6663151051404492
Energy: 2.6286555794397586
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Energy: 2.6765565847634694
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Energy: 2.203704367289762
Energy: 1.9621696597518965
Energy: 2.2705282950258785
Energy: 2.2037043672968997
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Energy: 2.270528295024094
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Energy: 1.9621696597518965
Energy: 2.2705282950258785
Energy: 2.2037043673200967
Energy: 2.792709575114873
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Energy: 1.3461050807286647
Energy: 2.792709575113088
Energy: 2.7647362370518596
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Energy: 2.7647362370482904
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Energy: 2.792709575114873
Energy: 1.8010491855898274
Energy: 3.143244060199418
Energy: 2.047227597481604
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Energy: 2.32294692283201
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Energy: 2.697727424003662
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Energy: 2.4352359527492466
Energy: 3.0578515668878654
Energy: 1.8069446069330346
Energy: 2.1302814706300204
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Energy: 2.5848688411138188
Energy: 2.7809454278332635
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Energy: 1.3840474991000082
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Energy: 1.3735159759511595
Energy: 2.5848688411138188
Energy: 1.7239143094147622
Energy: 2.144646010768497
Energy: 2.1549038898398756
Energy: 1.7239143094129779
Energy: 2.148325721462826
Energy: 2.145669383271773
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Energy: 2.144646010768497
Energy: 2.1549038898380912
Energy: 1.7239143094129779
Energy: 1.6332532084576104
Energy: 2.6647826972150646
Energy: 2.6600426491930587
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Energy: 2.664148484367095
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Energy: 1.6332532084540416
Energy: 2.6647826972150646
Energy: 2.66004264918949
Energy: 1.6332532084540416
Energy: 1.8799468504573493
Energy: 2.1219166292008196
Energy: 2.4283197518047586
Energy: 1.8799468504573493
Energy: 2.099328256051753
Energy: 2.4283197518047586
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Energy: 2.1219166292008196
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Energy: 2.6825270021846546
Energy: 1.3229142405913838
Energy: 2.7940258161863083
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Energy: 2.68252700218287
Energy: 1.3229142405682193
Energy: 2.7940258161863083
Energy: 2.68252700218287
Energy: 2.92733134059768
Energy: 2.2570023570591156
Energy: 1.6502480297197757
Energy: 2.927331340595895
Energy: 2.2570023570591156
Energy: 1.6502480297197757
Energy: 2.927331340595895
Energy: 2.2570023570591156
Energy: 1.65024802972156
Energy: 2.927331340594111
Energy: 2.483740048681631
Energy: 2.843224873095955
Energy: 1.5681855672666678
Energy: 2.483740048679846
Energy: 2.843224873092386
Energy: 1.5681855672809104
Energy: 2.4837400486780616
Energy: 2.843224873095955
Energy: 1.5681855673397953
Energy: 2.4837400486762773
Energy: 2.364367577399727
Energy: 2.119770726048535
Energy: 2.172349349259996
Energy: 2.364367577401511
Energy: 2.1197707260467507
Energy: 2.172349349261781
Energy: 2.364367577397942
Energy: 2.1197707260449663
Energy: 2.172349349261781
Energy: 2.364367577399727
Energy: 1.492953091343323
Energy: 2.692840779361321
Energy: 2.5680782784662743
Energy: 1.492953091343323
Energy: 2.69284077936489
Energy: 2.5680782784555682
Energy: 1.492953091343323
Energy: 2.6928407793631055
Energy: 2.5680782784627056
Energy: 1.492953091343323
Energy: 1.9524235722833463
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Energy: 1.7988015252479579
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Energy: 2.9274444133391193
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Energy: 2.9274444133337667
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Energy: 2.4508210832713724
Energy: 1.4558533689147648
Energy: 2.3734018379816773
Energy: 2.4508210832713724
Energy: 1.455853369110951

minimum gb energy = 1.2290941150250276 eV
minimum distance =  2.25623739263495 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.6600063579377549
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Energy: 2.62635018081073
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Energy: 2.917497467409036
Energy: 2.253018284383966
Energy: 2.2793044202769055
Energy: 2.917497467409036
Energy: 2.2530182843851474

minimum gb energy = 1.660006357936574 eV
minimum distance =  2.30724083322971 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 1.8562767774546811 eV
minimum distance =  2.3091339096078 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.436139422500327
Energy: 2.3497094112119523
Energy: 2.8885402394021855
Energy: 2.436139422500327
Energy: 2.3497094112119523
Energy: 2.8885402394021855
Energy: 2.436139422500327
Energy: 2.3497094112119523
Energy: 2.8885402394021855
Energy: 2.436139422500327
Energy: 2.3382766443617795
Energy: 2.400698053143015
Energy: 2.232426046284288
Energy: 2.3382766443617795
Energy: 2.400698053143015
Energy: 2.2324260462816694
Energy: 2.3382766443617795
Energy: 2.400698053143015
Energy: 2.2324260462816694
Energy: 2.3382766443617795
Energy: 2.662733468689854
Energy: 2.570281049363771
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Energy: 2.570281049363771
Energy: 2.475137055110622
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Energy: 2.570281049363771
Energy: 2.475137055110622
Energy: 2.662733468689854
Energy: 3.011498862432193
Energy: 2.2977170766341435
Energy: 2.6238113918044843
Energy: 3.01149886243486
Energy: 2.2977170766341435
Energy: 2.6238113918071515
Energy: 3.01149886243486
Energy: 2.2977170766341435
Energy: 2.6238113918044843
Energy: 3.011498862432193
Energy: 2.8163265563920827
Energy: 2.6429523302651465
Energy: 2.2211045364327227
Energy: 2.816326555938806
Energy: 2.6429523302704814
Energy: 2.2211045364327227
Energy: 2.8163265560427893
Energy: 2.642952330262479
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Energy: 2.816326555208258
Energy: 2.1845823039028254
Energy: 2.7027501885314678
Energy: 2.615556692527005
Energy: 2.1845823039028254
Energy: 2.7027501885314678
Energy: 2.615556692527005
Energy: 2.1845823039028254
Energy: 2.7027501885314678
Energy: 2.615556692527005
Energy: 2.1845823039028254
Energy: 3.112184854820532
Energy: 2.6708082919167935
Energy: 2.6625980499052786
Energy: 3.112184854820532
Energy: 2.6708082919167935
Energy: 2.6625980499052786
Energy: 3.112184854820532
Energy: 2.6708082919167935
Energy: 2.6625980499052786
Energy: 3.112184854820532
Energy: 2.1862902728803952
Energy: 2.603270281230126
Energy: 2.751821342394663
Energy: 2.1862902728803952
Energy: 2.603270281230126
Energy: 2.7518213423973306
Energy: 2.1862902728803952
Energy: 2.603270281232794
Energy: 2.7518213423973306
Energy: 2.1862902728803952
Energy: 2.8536503312763726
Energy: 2.216509353299783
Energy: 2.6653613225988897
Energy: 2.8536503312763726
Energy: 2.216509353299783
Energy: 2.6653613225962225
Energy: 2.8536503312763726
Energy: 2.216509353299783
Energy: 2.6653613225962225
Energy: 2.8536503312763726
Energy: 2.9002509792079207
Energy: 2.5248514334416945
Energy: 2.2946418366209476
Energy: 2.900250979205253
Energy: 2.5248514334416945
Energy: 2.2946418366209476
Energy: 2.9002509792079207
Energy: 2.5248514334416945
Energy: 2.2946418366209476
Energy: 2.9002509792079207
Energy: 2.6067598391964535
Energy: 2.488270104936453
Energy: 2.426711506315382
Energy: 2.606759839220461
Energy: 2.488270104936453
Energy: 2.4267115063180498
Energy: 2.606759840092337
Energy: 2.488270104936453
Energy: 2.4267115063180498
Energy: 2.606759840593579

minimum gb energy = 2.1224352011269763 eV
minimum distance =  2.27314883643433 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 2.2879139311084122
Energy: 2.3115183674758986
Energy: 2.29997332616025
Energy: 2.2879139311088936
Energy: 2.3115183674749344
Energy: 2.2999733261665174
Energy: 2.2879139311084122
Energy: 2.3115183674754163
Energy: 2.2999733261766417
Energy: 2.2879139311088936
Energy: 2.836153652405369
Energy: 2.6594356038966165
Energy: 2.6436209088330447
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Energy: 2.836153652405369
Energy: 2.659435603896134
Energy: 2.6436209088277414
Energy: 2.8361536524048865
Energy: 2.300689958229056
Energy: 2.699280086967679
Energy: 2.36706472285578
Energy: 2.3006899582305023
Energy: 2.6992800869686433
Energy: 2.36706472285578
Energy: 2.3006899582305023
Energy: 2.6992800869633395
Energy: 2.36706472285578
Energy: 2.300689958231466
Energy: 2.352616541941513
Energy: 2.6931602034912214
Energy: 2.3016198831227035
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Energy: 2.6931602034806588
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Energy: 2.2879139311084122
Energy: 2.3115183674749344
Energy: 2.299973326140483
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Energy: 2.3115183674749344
Energy: 2.2999733261535003
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Energy: 2.3115183674749344
Energy: 2.659435603898545
Energy: 2.6436209088330447
Energy: 2.8361536524063333
Energy: 2.6594356038975806
Energy: 2.6436209088330447
Energy: 2.8361536524048865
Energy: 2.6594356038966165
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Energy: 2.836153652405369
Energy: 2.659435603898545
Energy: 2.699280086969125
Energy: 2.367064722855298
Energy: 2.3006899582285736
Energy: 2.6992800869657505
Energy: 2.36706472285578
Energy: 2.300689958229538
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Energy: 2.36706472285578
Energy: 2.300689958230984
Energy: 2.6992800869565903
Energy: 2.6931602034792124
Energy: 2.3016198831198107
Energy: 2.3526165419405483
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Energy: 2.3016198831227035
Energy: 2.352616541939584
Energy: 2.6931602034840334
Energy: 2.301619883119329
Energy: 2.3526165419405483
Energy: 2.6931602034806588
Energy: 2.6590480332071493
Energy: 2.7782205112105327
Energy: 2.650059413014035
Energy: 2.6590480332071493
Energy: 2.7782205112510305
Energy: 2.6500594130135537
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Energy: 2.2879139311088936
Energy: 2.3115183674797555
Energy: 2.299973326140483
Energy: 2.2879139311084122
Energy: 2.311518367481202
Energy: 2.2999733261554285
Energy: 2.2879139311088936
Energy: 2.3115183674807196
Energy: 2.2999733261621786
Energy: 2.6436209088330447
Energy: 2.8361536524058506
Energy: 2.6594356038970983
Energy: 2.643620908832563
Energy: 2.836153652405369
Energy: 2.6594356038980624
Energy: 2.643620908828706
Energy: 2.836153652405369
Energy: 2.6594356038970983
Energy: 2.6436209088253304
Energy: 2.367064722855298
Energy: 2.300689958231948
Energy: 2.6992800869662323
Energy: 2.36706472285578
Energy: 2.3006899582305023
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Energy: 2.36706472285578
Energy: 2.300689958229056
Energy: 2.6992800869628577
Energy: 2.36706472285578
Energy: 2.3016198831222217
Energy: 2.3526165419405483
Energy: 2.6931602034883726
Energy: 2.3016198831198107
Energy: 2.3526165419405483
Energy: 2.693160203489819
Energy: 2.3016198831222217
Energy: 2.352616541939584
Energy: 2.693160203480177
Energy: 2.3016198831198107
Energy: 2.778220511164775
Energy: 2.6500594130135537
Energy: 2.659048033207632
Energy: 2.7782205111811673
Energy: 2.650059413014035
Energy: 2.659048033206185
Energy: 2.7782205111845424
Energy: 2.650059413011625
Energy: 2.659048033208596
Energy: 2.778220511232228
Energy: 2.2879139311084122
Energy: 2.3115183674749344
Energy: 2.299973326136144
Energy: 2.2879139311084122
Energy: 2.3115183674758986
Energy: 2.299973326142894
Energy: 2.2879139311084122
Energy: 2.3115183674754163
Energy: 2.29997332616025
Energy: 2.2879139311088936
Energy: 2.8361536524058506
Energy: 2.6594356038970983
Energy: 2.6436209088330447
Energy: 2.8361536524058506
Energy: 2.6594356038980624
Energy: 2.643620908832563
Energy: 2.8361536524063333
Energy: 2.6594356038956524
Energy: 2.643620908825813
Energy: 2.836153652405369
Energy: 2.3006899582280917
Energy: 2.6992800869710534
Energy: 2.367064722855298
Energy: 2.300689958229538
Energy: 2.6992800869647864
Energy: 2.36706472285578
Energy: 2.3006899582305023
Energy: 2.699280086958519
Energy: 2.36706472285578
Energy: 2.300689958231466
Energy: 2.3526165419405483
Energy: 2.693160203475356
Energy: 2.3016198831217394
Energy: 2.3526165419405483
Energy: 2.6931602034792124
Energy: 2.3016198831198107
Energy: 2.3526165419400664
Energy: 2.6931602034840334
Energy: 2.3016198831217394
Energy: 2.352616541939584
Energy: 2.6500594130135537
Energy: 2.659048033202328
Energy: 2.7782205112023806
Energy: 2.6500594130135537
Energy: 2.6590480332057034
Energy: 2.778220511213425
Energy: 2.650059413013071
Energy: 2.6590480332032924
Energy: 2.77822051120764
Energy: 2.650059413010661
Energy: 2.3115183674749344
Energy: 2.299973326113002
Energy: 2.2879139311084122
Energy: 2.3115183674754163
Energy: 2.2999733261207163
Energy: 2.2879139311088936
Energy: 2.3115183674754163
Energy: 2.299973326130841
Energy: 2.2879139311084122
Energy: 2.311518367474452
Energy: 2.6594356038970983
Energy: 2.6436209088330447
Energy: 2.8361536524063333
Energy: 2.6594356038980624
Energy: 2.64362090882967
Energy: 2.8361536524063333
Energy: 2.6594356038975806
Energy: 2.6436209088267772
Energy: 2.8361536524063333
Energy: 2.659435603896134

minimum gb energy = 2.2879139311084122 eV
minimum distance =  2.3395158442072 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.181042993426287
Energy: 3.1252583417216115
Energy: 3.0782600593011398
Energy: 2.12502615284379
Energy: 3.1252583417216115
Energy: 3.0782600593011398
Energy: 2.1810429934415847
Energy: 3.1252583417172404
Energy: 3.0782600593011398
Energy: 2.125026152845976
Energy: 2.747341813177715
Energy: 2.3637125323449197
Energy: 2.418137106508996
Energy: 2.747341813177715
Energy: 2.363712532347105
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Energy: 2.747341813177715
Energy: 2.363712532347105
Energy: 2.418137106511181
Energy: 2.747341813175529
Energy: 2.5975237413880032
Energy: 2.3913808773990066
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Energy: 2.28775800094043
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Energy: 2.8265977080381504
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Energy: 2.3149642759639466
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Energy: 2.3129122792271253
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Energy: 2.618147942054823
Energy: 2.391008200718742
Energy: 2.4771503890603115
Energy: 2.6181479420635245
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Energy: 2.551440553886625
Energy: 2.3475248424099897
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Energy: 2.059481909733475
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Energy: 2.9238730713831007
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Energy: 3.1224137713921363
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Energy: 2.0594819097312893
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Energy: 2.9238730713831007
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Energy: 2.700722938946155
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Energy: 2.5819924618430306
Energy: 2.292141365564282
Energy: 2.4492188349175223
Energy: 2.4238944124666912
Energy: 2.6311453885554656
Energy: 2.499563850463425
Energy: 2.41185714875574
Energy: 2.63114538855328
Energy: 2.449218835201509
Energy: 2.4238944124666912
Energy: 2.63114538855328
Energy: 2.499563850467796
Energy: 2.6073408614838116
Energy: 2.328283134486129
Energy: 2.6691246679099083
Energy: 2.607340861481626
Energy: 2.3282831344839434
Energy: 2.6691246679339082
Energy: 2.6073408614838116
Energy: 2.3282831344839434
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Energy: 2.7509492967151514
Energy: 2.5856626875360296
Energy: 2.1212274786373393
Energy: 2.7509492967173363
Energy: 2.5856626875382145
Energy: 2.115707864042486
Energy: 2.7509492967173363
Energy: 2.5856626875360296
Energy: 2.121227478639525
Energy: 2.7509492967173363
Energy: 2.160264227225815
Energy: 2.7926125665086587
Energy: 2.797437077590556
Energy: 2.1602642272279997
Energy: 2.792612566510844
Energy: 2.797437077590556
Energy: 2.1602642272279997
Energy: 2.7926125665086587
Energy: 2.797437077590556
Energy: 2.160264227225815
Energy: 2.5343200504617607
Energy: 2.4709614056760087
Energy: 2.568740265979745
Energy: 2.507700255094817
Energy: 2.470961405667267
Energy: 2.568740265968857
Energy: 2.5343200504617607
Energy: 2.4709614056694527
Energy: 2.568740265968857
Energy: 2.507700255094817
Energy: 2.658572239223599
Energy: 2.2897085374075106
Energy: 2.43151332619469
Energy: 2.6143486874308173
Energy: 2.28970853740314
Energy: 2.46611066792877
Energy: 2.658572239223599
Energy: 2.289708537405325
Energy: 2.4315133261925044
Energy: 2.6143486874330026
Energy: 2.134977441052359
Energy: 2.902846183526376
Energy: 2.9155451647718866
Energy: 2.134977441052359
Energy: 2.902846183526376
Energy: 2.915545164774072
Energy: 2.134977441052359
Energy: 2.9028461835285615
Energy: 2.915545164774072
Energy: 2.134977441054545
Energy: 2.6567167441461144
Energy: 2.2369485419145567
Energy: 2.5262650146861865
Energy: 2.6567167441439294
Energy: 2.2369485419167425
Energy: 2.5262650146861865
Energy: 2.6567167441483
Energy: 2.236948541912372
Energy: 2.526265014688372
Energy: 2.6567167441461144
Energy: 2.8398921174767247
Energy: 2.666639913817955
Energy: 2.314339607120483
Energy: 2.839892117474539
Energy: 2.6666399138157697
Energy: 2.32987411645877
Energy: 2.839892117474539
Energy: 2.6666399138157697
Energy: 2.314339607120483
Energy: 2.839892117474539
Energy: 2.6383568742219365
Energy: 2.58667407516205
Energy: 2.3923154142733356
Energy: 2.6383568742197907
Energy: 2.5866740751642356
Energy: 2.3923154142733356
Energy: 2.6383568742197907
Energy: 2.58667407516205
Energy: 2.392315414275521
Energy: 2.6383568742176053
Energy: 2.4031294804197754
Energy: 2.5083132262877585
Energy: 2.8601045090242234
Energy: 2.4031294804197754
Energy: 2.5083132262899435
Energy: 2.8601045090220385
Energy: 2.4031294804197754
Energy: 2.5083132262899435
Energy: 2.8601045090264092
Energy: 2.4031294804197754
Energy: 2.582258182252922
Energy: 2.611772242272434
Energy: 2.070945214107247
Energy: 2.5822581822507362
Energy: 2.611772242270248
Energy: 2.070945214107247
Energy: 2.5822581822485513
Energy: 2.611772242272434
Energy: 2.0709452141050613
Energy: 2.582258182252922
Energy: 2.3262844399158817
Energy: 2.521729695652393
Energy: 2.70488547269735
Energy: 2.326284439913696
Energy: 2.5217296956502087
Energy: 2.704885472699536
Energy: 2.326284439918067
Energy: 2.5217296956502087
Energy: 2.704885472699536
Energy: 2.326284439918067
Energy: 2.5756932015820238
Energy: 2.6562973912122247
Energy: 2.5142112652529396
Energy: 2.5756932015820238
Energy: 2.676977651479261
Energy: 2.5353539476765934
Energy: 2.575693201586394
Energy: 2.656297391210039
Energy: 2.5142112652529396
Energy: 2.575693201579838
Energy: 2.649218736267488
Energy: 2.244742391845974
Energy: 2.755038496853834
Energy: 2.649218736269673
Energy: 2.2447423918437885
Energy: 2.7550384968516486
Energy: 2.649218736269673
Energy: 2.2447423918437885
Energy: 2.755038496853834
Energy: 2.649218736267488
Energy: 2.2982314557529206
Energy: 3.0899016739373253
Energy: 2.550542289467228
Energy: 2.2982314557507353
Energy: 3.0899016739373253
Energy: 2.5505422894650422
Energy: 2.2982314557507353
Energy: 3.0899016739373253
Energy: 2.550542289467228
Energy: 2.2982314557529206
Energy: 2.729887749577835
Energy: 2.2650515863393257
Energy: 2.603606177788879
Energy: 2.729887749580021
Energy: 2.2637400063331974
Energy: 2.6036061777823223
Energy: 2.729887749577835
Energy: 2.2650515863393257
Energy: 2.6036061777845076
Energy: 2.729887749577835
Energy: 2.7853914927191896
Energy: 2.603066668256337
Energy: 2.685658664006412
Energy: 2.7853914927170043
Energy: 2.603066668258522
Energy: 2.685658664006412
Energy: 2.7853914927170043
Energy: 2.603066668256337
Energy: 2.685658664010783
Energy: 2.7853914927170043
Energy: 2.69185132882281
Energy: 2.5192291740274753
Energy: 2.3527323876162183
Energy: 2.6918513288206247
Energy: 2.5192291740318464
Energy: 2.3581884951032337
Energy: 2.6918513288184394
Energy: 2.519229174029661
Energy: 2.3527323876162183
Energy: 2.6918513288206247
Energy: 2.2890047349159466
Energy: 2.591365412839209
Energy: 2.6582019855032413
Energy: 2.289004734911575
Energy: 2.591365412841395
Energy: 2.6582019855032413
Energy: 2.289004734911575
Energy: 2.591365412839209
Energy: 2.6582019855032413
Energy: 2.2890047349137608
Energy: 2.7602651770968865
Energy: 2.4856564303366695
Energy: 2.4072312561890437
Energy: 2.7602651770968865
Energy: 2.4856564303388553
Energy: 2.4072312561868587
Energy: 2.7602651770947007
Energy: 2.4856564303388553
Energy: 2.407231256193415
Energy: 2.7602651770968865

minimum gb energy = 1.9774510979749609 eV
minimum distance =  2.28876504809549 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.3809119793093445
Energy: 2.844988130831384
Energy: 2.8269291298560257
Energy: 2.3809119793093445
Energy: 2.8449881308329763
Energy: 2.826929129857618
Energy: 2.3809119793093445
Energy: 2.84498813083218
Energy: 2.8269291298552295
Energy: 2.3809119793093445
Energy: 2.860935174833203
Energy: 2.1402798374248087
Energy: 2.664745179997579
Energy: 2.8609351748339984
Energy: 2.1402798374232166
Energy: 2.6647451799983752
Energy: 2.8609351748339984
Energy: 2.140279837424013
Energy: 2.664745179997579
Energy: 2.860935174834795
Energy: 2.4368528100054703
Energy: 2.212369963910162
Energy: 2.3655436436547626
Energy: 2.4368528099784
Energy: 2.2123699639109584
Energy: 2.365543643655559
Energy: 2.436852809972031
Energy: 2.212369963910162
Energy: 2.3655436436547626
Energy: 2.436852810046076
Energy: 2.497550693729803
Energy: 2.6688535105037996
Energy: 2.3536258978577878
Energy: 2.497550693729803
Energy: 2.6688535105037996
Energy: 2.3536258978506224
Energy: 2.497550693729803
Energy: 2.6688535105037996
Energy: 2.353625897858584
Energy: 2.4975506937290066
Energy: 2.8919209033635256
Energy: 2.236189098860658
Energy: 2.6353133911192543
Energy: 2.8919209033635256
Energy: 2.236189098860658
Energy: 2.6353133911192543
Energy: 2.8919209033635256
Energy: 2.236189098860658
Energy: 2.63531339112005
Energy: 2.8919209033627293
Energy: 2.7713231747562634
Energy: 2.720730352133352
Energy: 2.234238231425217
Energy: 2.771323174755467
Energy: 2.720730352134148
Energy: 2.234238231425217
Energy: 2.7713231747562634
Energy: 2.720730352133352
Energy: 2.234238231425217
Energy: 2.771323174755467
Energy: 2.530990072470848
Energy: 2.4346566383701944
Energy: 2.2438669478895847
Energy: 2.5309900724692556
Energy: 2.4346566383693977
Energy: 2.2438669478895847
Energy: 2.530990072470848
Energy: 2.4346566383693977
Energy: 2.2438669478895847
Energy: 2.5309900724692556
Energy: 2.3460071590232823
Energy: 2.7496515732142477
Energy: 2.4617291721729195
Energy: 2.346007159013728
Energy: 2.7496515732142477
Energy: 2.4617291721729195
Energy: 2.3460071590288556
Energy: 2.7496515732142477
Energy: 2.461729172172124
Energy: 2.3460071590200977
Energy: 2.915374651895887
Energy: 2.74939650854689
Energy: 2.256532559154591
Energy: 2.9153746518966828
Energy: 2.74939650854689
Energy: 2.256532559155387
Energy: 2.915374651895887
Energy: 2.74939650854689
Energy: 2.256532559155387
Energy: 2.9153746518966828
Energy: 2.182112607021152
Energy: 2.631274422967571
Energy: 2.6601549833375837
Energy: 2.18211260701956
Energy: 2.631274422968367
Energy: 2.660154983336788
Energy: 2.182112607016375
Energy: 2.631274422967571
Energy: 2.6601549833375837
Energy: 2.182112607016375
Energy: 2.301339635973286
Energy: 2.3176976459296963
Energy: 2.591706596438963
Energy: 2.301339635973286
Energy: 2.317697645928104
Energy: 2.5917065964445367
Energy: 2.3013396359740823
Energy: 2.317697645904218
Energy: 2.6220453265079695
Energy: 2.3013396359748786
Energy: 2.5671997338610586
Energy: 2.0907197569840306
Energy: 2.6677116848940354
Energy: 2.567199733861855
Energy: 2.0907197569872156
Energy: 2.6677116848956275
Energy: 2.567199733861855
Energy: 2.0907197569840306
Energy: 2.6677116848948317
Energy: 2.567199733861855
Energy: 2.3773916316919506
Energy: 3.0540909193908368
Energy: 2.2335293218372754
Energy: 2.3773916316919506
Energy: 3.0540909193908368
Energy: 2.2335293218372754
Energy: 2.3773916316919506
Energy: 3.0540909193908368
Energy: 2.2335293218372754
Energy: 2.3773916316911543
Energy: 2.836589769990291
Energy: 2.0939059889133156
Energy: 2.4682877824641736
Energy: 2.8365897699910874
Energy: 2.0939059889125198
Energy: 2.4682877824633773
Energy: 2.836589769990291
Energy: 2.0939059889133156
Energy: 2.4682877824641736
Energy: 2.836589769990291

minimum gb energy = 2.0907197569840306 eV
minimum distance =  2.25809687724676 Angstroms
sigma value = 33