Model name: model_name=MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.889087237417698
cohesive_energy=3.910307542081986
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4797334890998178e-19, 2.1216824075744998e-19, 2.63700650013426e-19, 3.0766918338028797e-19, 3.4625920978681194e-19, 3.8065633994215797e-19, 4.1158796203816196e-19, 4.39537933418292e-19, 4.6485392641212595e-19, 4.87793891457738e-19, 5.08556498457744e-19, 5.272987607222759e-19, 5.4414725020542e-19, 5.59209312741654e-19, 5.72574670222482e-19, 5.843202271263359e-19, 5.94510070518576e-19, 6.032034809346599e-19, 6.10451728026876e-19, 6.162996727409759e-19, 6.2078736949281e-19, 6.23953270521594e-19, 6.258310215366419e-19, 6.264510638939999e-19, 6.257717410011839e-19, 6.235495220098259e-19, 6.19454358533322e-19, 6.13092115119708e-19, 6.03978934425516e-19, 5.91518806742898e-19, 5.749763329968479e-19, 5.5343987468262e-19, 5.25768682036806e-19, 4.905272047953419e-19, 4.45898574655272e-19, 3.8956123767392994e-19, 3.1852072572237e-19, 2.2887734087343597e-19, 1.155068415986058e-19, -2.84163649982874e-20, -2.12107358045358e-19, -4.48165654592382e-19, -7.54146143800434e-19, -1.154927424442266e-18, -1.6865312337801e-18, -2.40241579738398e-18, -3.3841174863347997e-18, -4.7601468884456995e-18, -6.741094100489639e-18, -9.688314040498979e-18, -1.425844278015228e-17, -2.17332056048832e-17, -3.4857755937620996e-17, -6.030048110320439e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015959685686033467
Energy: 0.0170616390057991
Energy: 1.6948626731513172
Energy: 1.1440371891072214
Energy: 1.1434188667842418
Energy: 1.4804177510223422
Energy: 0.016992567188356754
Energy: 0.7166856529439023
Energy: 1.1425151708686911
Energy: 0.6641447256330295
Energy: 0.9866802161114298
Energy: 1.0286573414571616
Energy: 0.016940418627599645
Energy: 0.6453039759422983
Energy: 0.7158592155685259
Energy: 1.1429722728462073
Energy: 1.3500053888029873
Energy: 0.9908158487387212
Energy: 1.0286592150180205
Energy: 0.9248112658579427
Energy: 0.09366072560847867
Energy: 0.018507006841209164
Energy: 0.9227934610495128
Energy: 1.6965022045251248
Energy: 1.17037552265985
Energy: 1.1431672337606618
Energy: 1.2596639493016009
Energy: 0.01720944565308999
Energy: 1.2195559936604647
Energy: 1.1442700953747493
Energy: 0.6640366690475489
Energy: 0.7105919971622705
Energy: 0.7132807564679696
Energy: 0.01670920759922108
Energy: 0.6480671160016
Energy: 0.016366314510902556
Energy: 1.195327908294703
Energy: 1.349940197322898
Energy: 0.9905611005744605
Energy: 0.9178786999772077
Energy: 0.9239736213749017
Energy: 0.0933912604859546

minimum gb energy = 0.015959685686033467 eV
minimum distance =  2.72639062995062 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.5137374385238416
Energy: 1.7830020813609166
Energy: 1.6912080201286204
Energy: 1.7854880069085375
Energy: 1.722305256408272
Energy: 1.678482263849846
Energy: 1.7764578356118887
Energy: 1.4541083616971462
Energy: 1.756982988048543
Energy: 1.7414027207550338
Energy: 1.8575491681064595
Energy: 1.7818948842096316
Energy: 1.6956932680470556
Energy: 1.68791208231963
Energy: 1.5291713926158528
Energy: 1.6911076865012684
Energy: 1.5431775935889016
Energy: 1.6894325147381062
Energy: 1.7117886350531817
Energy: 1.587353719586332
Energy: 1.7307679382932135
Energy: 1.6556557371631813
Energy: 1.7404295713212783
Energy: 1.6084915294605056
Energy: 1.6434862050598416
Energy: 1.7124451636227052
Energy: 1.7142620986080819
Energy: 1.7868281279276068
Energy: 1.621256035871429
Energy: 1.8319158119879222
Energy: 1.520166260645622
Energy: 1.695090375486123
Energy: 1.6887164108361383
Energy: 1.6600422435684479
Energy: 1.8701280610435502
Energy: 1.7544767948186217
Energy: 1.7484607771114027
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Energy: 1.6232626493943587
Energy: 1.6720005255405854
Energy: 1.7515413899476544
Energy: 1.8307836615696411
Energy: 1.6840162460493042
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Energy: 1.612105713066746
Energy: 1.6350809205061485
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Energy: 1.8346048088013909
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Energy: 1.6184008848099734
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Energy: 1.7735710268396225
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Energy: 1.735516553669579
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Energy: 1.7556488267345256
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Energy: 1.7149223515959346
Energy: 1.6620543990457897
Energy: 1.6075265743955913
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Energy: 1.6233823671412797
Energy: 1.7320707436749805
Energy: 1.5837055306474161
Energy: 1.6469646164175298
Energy: 1.6956599799898404
Energy: 1.615689109938553
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Energy: 1.7201733157474044
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Energy: 1.7766505865349986
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Energy: 1.6537766963018086
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Energy: 1.6337062648974061
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Energy: 1.5360870089122622
Energy: 1.675132937696476
Energy: 1.676899835356687
Energy: 1.549077999297186
Energy: 1.7344752402327257
Energy: 1.484106012124816
Energy: 1.6653689152075528
Energy: 1.5572537737729133
Energy: 1.6421914330505487
Energy: 1.6397000651886608
Energy: 1.630509493357494
Energy: 1.712739131365857
Energy: 1.6636508978060534
Energy: 1.7224388252702467
Energy: 1.4474843631493095
Energy: 1.6684052646746785
Energy: 1.7261342315054111
Energy: 1.597502776436149
Energy: 1.7871150377010783
Energy: 1.6646341751764429
Energy: 1.7258641112986917
Energy: 1.5901792282042788
Energy: 1.629359715608504
Energy: 1.6698500838279544
Energy: 1.7375312437410333
Energy: 1.8025719474597208
Energy: 1.605423671391581
Energy: 1.892483527110987
Energy: 1.5412052394144904
Energy: 1.673804838912433
Energy: 1.6113421178403764
Energy: 1.643072615700071
Energy: 1.793064379140778
Energy: 1.5753242354357406
Energy: 1.6879616396338533
Energy: 1.6201942311389708
Energy: 1.6710639996807328
Energy: 1.703171484096035
Energy: 1.6565353930243851
Energy: 1.7435868112637873
Energy: 1.4458819970732317
Energy: 1.6715182900126924
Energy: 1.6318932854638484
Energy: 1.8147717385937956
Energy: 1.7752006889674037
Energy: 1.5946391638831674
Energy: 1.6743481680703207
Energy: 1.4244404246735005
Energy: 1.7254019179088622
Energy: 1.724417756522331
Energy: 1.8358343544586566
Energy: 1.738786783478572
Energy: 1.6335918895055002
Energy: 1.6538251020151942
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Energy: 1.7949231950557047
Energy: 1.6793669950030587
Energy: 1.7854249406764608
Energy: 1.7382818823243555
Energy: 1.5939681437373325
Energy: 1.741711425603895

minimum gb energy = 1.3899571262886692 eV
minimum distance =  2.41016725344853 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.3967564808701445
Energy: 1.542268656091983
Energy: 1.6361908565140284
Energy: 1.977403605631865
Energy: 1.8469936477674593
Energy: 1.6355828546498536
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Energy: 1.82921434716332
Energy: 1.4424195040805876
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Energy: 1.3631169790213031
Energy: 1.4286000544398993
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Energy: 1.6624777402066762
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Energy: 1.426512759663958
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Energy: 1.6724319590461132
Energy: 1.7831506777601172
Energy: 1.8496699703723076
Energy: 1.847537539550311
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Energy: 1.591336733146565
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Energy: 1.5478113375858216
Energy: 1.7637475309177093
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Energy: 1.5606636721870175
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Energy: 1.7980915343833437
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Energy: 1.6910619698758778
Energy: 1.7922119406557204
Energy: 1.7125512989486835
Energy: 1.7602104659735311
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Energy: 1.6464081446732832
Energy: 1.6966073866951588
Energy: 1.967133603067663
Energy: 1.6793091449446411
Energy: 1.8363688803549265
Energy: 1.3935224870706349
Energy: 1.4946043536370945
Energy: 1.7107836277109683
Energy: 1.6886669751369485
Energy: 1.9382954577484666
Energy: 1.6682793779487548
Energy: 1.7195707648987095
Energy: 1.4241556960803696
Energy: 1.5256742383691504
Energy: 1.5422893568974745
Energy: 1.5881065946690471
Energy: 2.0003994562694563
Energy: 1.7701715478510678
Energy: 1.6591588305427452
Energy: 1.4509475751872298
Energy: 1.5833064839242668
Energy: 1.7259648353803374
Energy: 1.5662311182257693
Energy: 1.8745921861086285
Energy: 1.3335181652115242
Energy: 1.6947750143825464
Energy: 1.6975850681818703
Energy: 1.7362310609798015
Energy: 1.7870954073048517
Energy: 1.6935350617644398
Energy: 1.690822806332651
Energy: 1.4260437971758064
Energy: 1.6545533874722367
Energy: 1.7200520389065814
Energy: 1.949011761853719
Energy: 1.804522525794388
Energy: 1.4685437767418248
Energy: 1.507364596623447
Energy: 1.3743289856065881
Energy: 1.674961826765222
Energy: 1.8454676164812258
Energy: 1.968282418752195
Energy: 1.7728373037418181
Energy: 1.6766408416695182
Energy: 1.5940501029154701
Energy: 1.3805742511064216
Energy: 1.7052884787135678
Energy: 1.7241707310048748
Energy: 1.9125833351243005
Energy: 1.8339353299089725
Energy: 1.6268365706844563
Energy: 1.619625571464813
Energy: 1.5114213056860362
Energy: 1.71257308763964
Energy: 1.6250491177114104
Energy: 1.7854366313700165
Energy: 1.7619183383791426
Energy: 1.594688609068767
Energy: 1.5851537859887492
Energy: 1.4143132253962187
Energy: 1.7931540486201125
Energy: 1.5287301143186443
Energy: 1.5261417049465413
Energy: 1.6589014930047894
Energy: 1.6124883942337243
Energy: 1.776931296391147
Energy: 1.6686675931823916
Energy: 1.7563657808017024
Energy: 1.3618277544944546
Energy: 1.5676290814518208
Energy: 1.6507703454156821
Energy: 1.887718083646174
Energy: 1.9229105724342483
Energy: 1.620580142421199
Energy: 1.8746047636683572
Energy: 1.4802063239103902
Energy: 1.4824478122356535
Energy: 1.6968811734769091
Energy: 1.6236152683553307
Energy: 1.9673733775371391
Energy: 1.7844243761792924
Energy: 1.74313408972267
Energy: 1.4678945537195867
Energy: 1.564794536234852
Energy: 1.5799546267052869
Energy: 1.694125395957347
Energy: 2.0329362915526157
Energy: 1.571073587192914
Energy: 1.6737839782839303
Energy: 1.4676580319844375
Energy: 1.5819822034893378
Energy: 1.6804706512572496
Energy: 1.6012601220557459
Energy: 1.85457577768444
Energy: 1.386630719081406
Energy: 1.6425724155347028
Energy: 1.7268629775347022
Energy: 1.6952090585029254
Energy: 1.7112409205059347
Energy: 1.689076716327546
Energy: 1.704775635528172
Energy: 1.4207852610843172
Energy: 1.6549201499567643
Energy: 1.6520423999876799
Energy: 1.926815423818981
Energy: 1.741742802722306
Energy: 1.6158153731490925
Energy: 1.5604703521236698
Energy: 1.300895155743467
Energy: 1.6411461944796248
Energy: 1.8142373058863883
Energy: 1.9594942357233311
Energy: 1.9329379182863051
Energy: 1.5108616532024723
Energy: 1.4780828124036394

minimum gb energy = 1.3007672605874023 eV
minimum distance =  2.44763227971433 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.6313394138082624
Energy: 1.7875917472884602
Energy: 1.6426842215446882
Energy: 1.8053833464378557
Energy: 1.6309866439457883
Energy: 1.611369860422887
Energy: 1.683725463659755
Energy: 1.5984304765512078
Energy: 1.7607756139434951
Energy: 1.7513163507686893
Energy: 1.673094868041646
Energy: 1.6620856092439453
Energy: 1.6008606696430339
Energy: 1.7255984969608658
Energy: 1.6494041713195347
Energy: 1.7305197446779172
Energy: 1.6433056677130553
Energy: 1.7403819664034417
Energy: 1.760567706577982
Energy: 1.6194600464036044
Energy: 1.7528524531460383
Energy: 1.5938335556957466
Energy: 1.7462405813226303
Energy: 1.5848328310559527
Energy: 1.7446457324382478
Energy: 1.7405843017464426
Energy: 1.6298080315611274
Energy: 1.6903136124875082
Energy: 1.6628768615992569
Energy: 1.872729404537099
Energy: 1.6266037086494145
Energy: 1.7255476806824475
Energy: 1.7027903095870642
Energy: 1.6728040266121285
Energy: 1.8718015178705423
Energy: 1.5601396809140262
Energy: 1.765815125754797
Energy: 1.6427937217825208
Energy: 1.7684231024232149
Energy: 1.7647862680923827
Energy: 1.7245074715102344
Energy: 1.8136496565683873
Energy: 1.5927888305034836
Energy: 1.6498440190122436
Energy: 1.5720942085847165
Energy: 1.796308023566716
Energy: 1.8216646090367783
Energy: 1.6686413385511092
Energy: 1.7564302509087029
Energy: 1.5598717210240365
Energy: 1.7179183057648337
Energy: 1.5879800482386364
Energy: 1.6730098102239637
Energy: 1.6655352851574587
Energy: 1.6986520542920889
Energy: 1.7840109452109276
Energy: 1.5702723130268592
Energy: 1.7278608614667137
Energy: 1.6687824696974767
Energy: 1.7107889195585086
Energy: 1.8096320022024586
Energy: 1.6839321199535988
Energy: 1.7265246569012194
Energy: 1.6030690097056677
Energy: 1.6861683718371343
Energy: 1.646235836537685
Energy: 1.7506010664842029
Energy: 1.8012462756216108
Energy: 1.6849399418395836
Energy: 1.6626613211300945
Energy: 1.5793790564259382
Energy: 1.9094420680796673
Energy: 1.6027554356413438
Energy: 1.7552377307023777
Energy: 1.7229950794868765
Energy: 1.6483516586795335
Energy: 1.8939716815839633
Energy: 1.5883992099372166
Energy: 1.7926524800518082
Energy: 1.6701171450219183
Energy: 1.8222148607978692
Energy: 1.7897427192734907
Energy: 1.699319424975742
Energy: 1.7021996391925251
Energy: 1.556342751381447
Energy: 1.681663316517058
Energy: 1.5697054928885878
Energy: 1.711127050034801
Energy: 1.7449829327715884
Energy: 1.5721996382099674
Energy: 1.6985848042934424
Energy: 1.6217853349949043
Energy: 1.7358413046364605
Energy: 1.596054698870845
Energy: 1.6876407376323266
Energy: 1.6250841694345302
Energy: 1.6280308761127582
Energy: 1.7593435794704901
Energy: 1.5702584831746391
Energy: 1.728184553190574
Energy: 1.6190848755738658
Energy: 1.779430873598458
Energy: 1.7262516747950511
Energy: 1.7055053676376446
Energy: 1.7275832771916395
Energy: 1.6173908285612009
Energy: 1.7237616023325892
Energy: 1.620142871429041
Energy: 1.7534113718324416
Energy: 1.7926147117947928
Energy: 1.7566149648059273
Energy: 1.7445608817621534
Energy: 1.5800925966758066
Energy: 1.8937128673364176
Energy: 1.6005748028397642
Energy: 1.6865142896222605
Energy: 1.7130855002336312
Energy: 1.6748329934193877
Energy: 1.895915387421346
Energy: 1.7566902519648904
Energy: 1.7372342085753278
Energy: 1.692632408523616
Energy: 1.8672747866486987
Energy: 1.8499176258979084
Energy: 1.8628357852829962
Energy: 1.7915008299415627
Energy: 1.552656752231398
Energy: 1.6957526419994235
Energy: 1.5545374916526726
Energy: 1.788695460066675
Energy: 1.7932885906992622
Energy: 1.6535699852255377
Energy: 1.7914241932087995
Energy: 1.5409488373815499
Energy: 1.716390995270233
Energy: 1.5886872824559306
Energy: 1.6976857727851535
Energy: 1.6842312185056758
Energy: 1.6902580033225723
Energy: 1.7594142957497874
Energy: 1.5465185597978475
Energy: 1.742088009550055
Energy: 1.5742713923141733
Energy: 1.7624178001506963
Energy: 1.7374211374181794
Energy: 1.5835364568257537
Energy: 1.7432495141637228
Energy: 1.6184194733981998
Energy: 1.7399569166785411
Energy: 1.7151432039186951
Energy: 1.8214930024506422
Energy: 1.7830917924033163
Energy: 1.7960743993044257
Energy: 1.726769021165439
Energy: 1.6266819569972366
Energy: 1.8995440698115558
Energy: 1.6517041783103996
Energy: 1.7078563863093663
Energy: 1.7326953817344326
Energy: 1.6499821567362725
Energy: 1.905774470389216
Energy: 1.6386710167557963
Energy: 1.8213129233482361
Energy: 1.8092702923823185
Energy: 1.7957941285151653
Energy: 1.7944752196327958
Energy: 1.734810641503734
Energy: 1.7706616126534234
Energy: 1.567468702680591
Energy: 1.830215379860993
Energy: 1.6385070883069435
Energy: 1.7709944168035274
Energy: 1.7124506132563801
Energy: 1.5594147007155852
Energy: 1.77660151214273
Energy: 1.5932458197278552
Energy: 1.7097186454932087
Energy: 1.658868054502558
Energy: 1.6865532547321278
Energy: 1.6296295285489877
Energy: 1.6306141249924013
Energy: 1.7572569082094511
Energy: 1.5807449374005793
Energy: 1.757191179965581
Energy: 1.5880098523321937
Energy: 1.7704597579174512
Energy: 1.7217141446830329
Energy: 1.6277036139437648
Energy: 1.716731133678888
Energy: 1.6694914146606976
Energy: 1.7694757056517456
Energy: 1.6107422237277593
Energy: 1.8319328102014765
Energy: 1.8202866571302683
Energy: 1.772989640107607
Energy: 1.7632357592943941
Energy: 1.6426479149858153
Energy: 1.9012849500279232
Energy: 1.6478276330940378
Energy: 1.6745545161769448
Energy: 1.7192435641955115
Energy: 1.6428334413623618
Energy: 1.851172690466406
Energy: 1.6307599692177788
Energy: 1.8201639542753039
Energy: 1.6920649337520335
Energy: 1.809959620427176
Energy: 1.8165433382644398
Energy: 1.6598191094909331
Energy: 1.756544899754412
Energy: 1.6038142040190568
Energy: 1.7672695753726746
Energy: 1.7652168728840414
Energy: 1.7717115088858444
Energy: 1.7999115596943596
Energy: 1.715318178766509
Energy: 1.8082456701439527
Energy: 1.6249423164740182
Energy: 1.6926836853281702
Energy: 1.655583313618601
Energy: 1.709954422205812
Energy: 1.649115008430365
Energy: 1.6405036052057231
Energy: 1.756922643716079
Energy: 1.579296873224493
Energy: 1.7187284885721499
Energy: 1.5793964517362826
Energy: 1.8053356174453388
Energy: 1.7453235067582034
Energy: 1.633867636871808
Energy: 1.7104368549601472
Energy: 1.5815595102805766
Energy: 1.7867112094991795
Energy: 1.6363641418841885
Energy: 1.8262404222433162
Energy: 1.6243794338935447
Energy: 1.694773300173958
Energy: 1.705749226849719
Energy: 1.6375490286024934
Energy: 1.8877017427685943
Energy: 1.6726078696124098
Energy: 1.703429313511526
Energy: 1.7445794575183469
Energy: 1.6192726022438078
Energy: 1.9078312796408128
Energy: 1.6493280744597418
Energy: 1.8758422255798777
Energy: 1.6414604312156624
Energy: 1.7932067999422423
Energy: 1.7338656205933072
Energy: 1.606222163894337
Energy: 1.7103816963965803

minimum gb energy = 1.5409488373815499 eV
minimum distance =  2.40948377167267 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.3202402738524672
Energy: 1.5752731043182633
Energy: 1.7319915410480922
Energy: 1.8092258320198769
Energy: 1.761303255593798
Energy: 1.6339939530717316
Energy: 1.5977715422849992
Energy: 1.5236522646864148
Energy: 1.7813169554885895
Energy: 1.5818435775972748
Energy: 1.5739502923074677
Energy: 1.5625777392258138
Energy: 1.5632962865321969
Energy: 1.7866773850148794
Energy: 2.0794829442956195
Energy: 1.5732477721822076
Energy: 1.5230511631520476
Energy: 1.440361314960168
Energy: 1.4245492369969905
Energy: 1.3932182331385787
Energy: 1.8772818124491253
Energy: 1.486501522108476
Energy: 1.6185749367394302
Energy: 1.4916759936470934
Energy: 1.5346225827056021
Energy: 1.5355941083184572
Energy: 1.5158496329426987
Energy: 1.7916693567183504
Energy: 1.4023938759761265
Energy: 1.4356626607447047
Energy: 1.4454746711447017
Energy: 1.6320963600909904
Energy: 1.87916064695431
Energy: 1.8569016742585365
Energy: 1.5787312602131265
Energy: 1.5358720919536013
Energy: 1.635860472523601
Energy: 1.5216650190386696
Energy: 1.96306136569906
Energy: 1.4998287193672233
Energy: 1.7466045729856698
Energy: 1.737942151170513
Energy: 1.61773829604481
Energy: 1.9497501772582475
Energy: 1.732883724454937
Energy: 1.6446177004621438
Energy: 1.5070740788834514
Energy: 1.3862358567466944
Energy: 1.8582556836140536
Energy: 1.38337035924773
Energy: 1.674803128641591
Energy: 1.7643595280309528
Energy: 2.0590208246307324
Energy: 1.7751519093100867
Energy: 1.6981037859984316
Energy: 1.7403084172704386
Energy: 1.3459550060545167
Energy: 1.7119022224217635
Energy: 1.6682657906595437
Energy: 1.942829365850674
Energy: 1.828891082003744
Energy: 1.6704225784781015
Energy: 1.7656349698467957
Energy: 1.666493761154772
Energy: 1.9750186498506153
Energy: 1.5519814989817613
Energy: 1.3886934368813966
Energy: 1.447970348626443
Energy: 1.4768909778818258
Energy: 1.7347378864324687
Energy: 1.659149650948126
Energy: 1.5767160489976164
Energy: 1.5230156948601947
Energy: 1.6146191724329058
Energy: 1.5915511075956303
Energy: 1.3994638174066276
Energy: 1.708414131759832
Energy: 1.454528214052716
Energy: 1.5405305694551128
Energy: 1.592914487791081
Energy: 1.6373670646789167
Energy: 1.6612739445594356
Energy: 1.6446513687499176
Energy: 1.5552398166628558
Energy: 1.3747893103191238
Energy: 1.4810109503856046
Energy: 1.5773573711132254
Energy: 1.633566740698891
Energy: 1.7815689098327867
Energy: 1.7424778071760663
Energy: 1.6884536183171546
Energy: 1.5817986649167022
Energy: 1.8262042635835771
Energy: 1.658992660144913
Energy: 1.6838489049338943
Energy: 1.4718391334322511
Energy: 1.4527189473036635
Energy: 1.8649324240527394
Energy: 1.5240342109699836
Energy: 1.753337559511332
Energy: 1.8542203370481622
Energy: 1.8165807454017495
Energy: 1.6134327270712998
Energy: 1.4117135519583888
Energy: 1.8052931770657576
Energy: 1.320261435940179
Energy: 1.7071193876804756
Energy: 1.7309706208462021
Energy: 1.8089867318819104
Energy: 1.7610274336680953
Energy: 1.6340300376207284
Energy: 1.617485042583411
Energy: 1.780664397317467
Energy: 1.7797045965970313
Energy: 1.5817187135505701
Energy: 1.5739759366407264
Energy: 1.5592056234371738
Energy: 1.5422541936648582
Energy: 1.7633112767536352
Energy: 2.0151614008136916
Energy: 1.69325209681511
Energy: 1.5224626880165317
Energy: 1.4575084522810458
Energy: 1.5723539393241404
Energy: 1.3928733202312653
Energy: 1.8778520494073452
Energy: 1.48590696461997
Energy: 1.6170122927227637
Energy: 1.4921385740120203
Energy: 1.533173914739663
Energy: 1.5356905321403016
Energy: 1.51592356221168
Energy: 1.782782511003803
Energy: 1.4025837581356597
Energy: 1.4357911702616342
Energy: 1.4734202990060394
Energy: 1.6320717284397177
Energy: 1.8794763659021476
Energy: 1.8496795099017054
Energy: 1.5795635739225313
Energy: 1.544800847517463
Energy: 1.6359777658006784
Energy: 1.6452879937265412
Energy: 1.8915727056213092
Energy: 1.4999607484183883
Energy: 1.599252057354579
Energy: 1.7821609081441656
Energy: 1.618594999419934
Energy: 1.950391512851215
Energy: 1.733027910727543
Energy: 1.6446791065271014
Energy: 1.5076073683453626
Energy: 1.4405308559214156
Energy: 1.8912018852722507
Energy: 1.4148120768971058
Energy: 1.6682156836871649
Energy: 1.763781249927912
Energy: 2.0644204415886347
Energy: 1.7780226481479284
Energy: 1.6990871051747647
Energy: 1.7403066481716185
Energy: 1.2964412437309283
Energy: 1.7121128199520164
Energy: 1.7076954239138609
Energy: 1.9200012574221001
Energy: 1.8286848670866396
Energy: 1.6696091437411027
Energy: 1.7651358206475731
Energy: 1.6615029593144428
Energy: 1.9757448499307695
Energy: 1.5715513485213826
Energy: 1.392272367528542
Energy: 1.447462145007078
Energy: 1.4767950422068858
Energy: 1.75552417034327
Energy: 1.6587418677018628
Energy: 1.7166549743642363
Energy: 1.6261119001981899
Energy: 1.6126921484666994
Energy: 1.5889691374204529
Energy: 1.5629391514643218
Energy: 1.804434719877498
Energy: 1.4539156956177537
Energy: 1.5480083415332826
Energy: 1.5929534607404456
Energy: 1.6381528656451272
Energy: 1.6611741365256047
Energy: 1.64214121434825
Energy: 1.557866290044358
Energy: 1.3758721838045713
Energy: 1.4858686704175263
Energy: 1.577812983005615
Energy: 1.634134711141191
Energy: 1.7629345811074584
Energy: 1.7447785302823753
Energy: 1.6889718141226806
Energy: 1.581631095174999
Energy: 1.8267196784950483
Energy: 1.6595650132955777
Energy: 1.6112597690375678
Energy: 1.4711412672283268
Energy: 1.452224875786609
Energy: 1.8653599715684257
Energy: 1.523666551911622
Energy: 1.7537515350151411
Energy: 1.8543533787674131
Energy: 1.6901506532737014
Energy: 1.6139313173650882
Energy: 1.4116810238863402
Energy: 1.7696730681375248

minimum gb energy = 1.2964412437309283 eV
minimum distance =  2.4799307768875 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.665983530670001
Energy: 1.7749450253986794
Energy: 1.7497733642691735
Energy: 1.8082644710023592
Energy: 1.7115313930632754
Energy: 1.5916741246485102
Energy: 1.765807501166779
Energy: 1.658596120887499
Energy: 1.868230569279933
Energy: 1.789638162553222
Energy: 1.7853288490962769
Energy: 1.7347188792612358
Energy: 1.7263635609330688
Energy: 1.8966673221005645
Energy: 1.6372615196441123
Energy: 1.5726524933228219
Energy: 1.679936898525485
Energy: 1.6635356266389325
Energy: 1.7183265824394773
Energy: 1.6600287038313197
Energy: 1.7797689825911582
Energy: 1.7797204153177275
Energy: 1.7910467580040572
Energy: 1.4797135051253105
Energy: 1.7190854092285563
Energy: 1.6657500970481318
Energy: 1.5108599634771487
Energy: 1.7713391682630508
Energy: 1.5746083716568868
Energy: 1.6268877685064707
Energy: 1.667427522252441
Energy: 1.8406030518162073
Energy: 1.97240323327178
Energy: 1.863024653475626
Energy: 1.6963007728107309
Energy: 1.4630722178145081
Energy: 1.5522083980030887
Energy: 1.625072625663965
Energy: 1.8982137111896196
Energy: 1.8197619480435645
Energy: 1.7048065156328054
Energy: 1.7510813456186314
Energy: 1.8403324722237908
Energy: 1.8332570600803826
Energy: 1.5166772076337494
Energy: 1.6359035997228866
Energy: 1.429981020085334
Energy: 1.4278465386027002
Energy: 1.7535582765978484
Energy: 1.5543085405506354
Energy: 1.7881556475489562
Energy: 1.6642895339785881
Energy: 1.7365702339886189
Energy: 1.613925051649959
Energy: 1.592979934270095
Energy: 1.755695874248041
Energy: 1.4884210073910416
Energy: 1.7066668979149808
Energy: 1.6205640861719834
Energy: 1.703471924358778
Energy: 1.8558265932729983
Energy: 1.8555475071069918
Energy: 1.8750051130346508
Energy: 1.6262723857340948
Energy: 1.6670616004663659
Energy: 1.4759197129873078
Energy: 1.7748523489458599
Energy: 1.7443441180666672
Energy: 1.6901594219910172
Energy: 1.7876702853086048
Energy: 1.688020186751179
Energy: 1.94486483696237
Energy: 1.7712686756357878
Energy: 1.885787657527474
Energy: 1.737742947178111
Energy: 1.7628783586439782
Energy: 1.8146451776942396
Energy: 1.6281390152010187
Energy: 1.9440532405824067
Energy: 1.8529916855767703
Energy: 1.887077862665057
Energy: 1.7424622322569694
Energy: 1.7372331494174085
Energy: 1.9210436349091031
Energy: 1.664970866800668
Energy: 1.8657328811436753
Energy: 1.7186408612050434
Energy: 1.8688349248920435
Energy: 1.819734966398895
Energy: 1.636897390869983
Energy: 1.7992530775767377
Energy: 1.7555337572703473
Energy: 1.9072787288461706
Energy: 1.828529969233886
Energy: 1.655595555114308
Energy: 1.7287220149079767
Energy: 1.782362372422885
Energy: 1.8180898259971099
Energy: 1.7083898585104829
Energy: 1.7702567603968815
Energy: 1.5850198611797859
Energy: 1.6894484887661225
Energy: 1.7446691593946313
Energy: 1.7153328728244726
Energy: 1.825387139797625
Energy: 1.8678644236803785
Energy: 1.7325546091503787
Energy: 1.5552638436500352
Energy: 1.7727556518735605
Energy: 1.610862833173793
Energy: 1.6717184945033525
Energy: 1.8017657009556867
Energy: 1.5163161066903448
Energy: 1.6469829620547796
Energy: 1.6387907070558863
Energy: 1.6349364916978701
Energy: 1.8466960918289526
Energy: 1.6490105162297992
Energy: 1.7466521708855025
Energy: 1.3502297312864793
Energy: 1.5048330724072254
Energy: 1.6814662882957156
Energy: 1.9255552098595132
Energy: 1.860928073313568
Energy: 1.7837358502228386
Energy: 1.6986427451279298
Energy: 1.6578223651503354
Energy: 1.7668875682731204
Energy: 1.640634246728639
Energy: 1.6534293157119058
Energy: 1.5385777927699482
Energy: 1.5329783283448501
Energy: 1.6858995323602766
Energy: 1.7807976107009842
Energy: 1.7586760460768873
Energy: 1.628181214451949
Energy: 1.601516753344239
Energy: 1.5679105384845555
Energy: 1.5447120765861424
Energy: 1.8072519153673987
Energy: 1.4233638025278168
Energy: 1.7929146245076102
Energy: 1.6960349310346814
Energy: 1.7133299474038235
Energy: 1.8216802094653626
Energy: 1.7788179063608602
Energy: 1.8040922389973149
Energy: 1.696223783050709
Energy: 1.6915944594866925
Energy: 1.5407959626342485
Energy: 1.6833009872129576
Energy: 1.7664709322021992
Energy: 1.731068195271409
Energy: 1.826608024213547
Energy: 1.7239354828417763
Energy: 1.7626293100090638
Energy: 1.7481523623613653
Energy: 1.750365407365756
Energy: 1.5601460452154343
Energy: 1.815269538938143
Energy: 1.8100755596730131
Energy: 1.6209259060405963
Energy: 1.7705492477744957
Energy: 1.7689507579421808
Energy: 1.8344947924014814
Energy: 1.7889831123136053
Energy: 1.7557987503461414
Energy: 1.9510903345311905
Energy: 1.7694229089429436
Energy: 1.883789801618098
Energy: 1.870581620004719
Energy: 1.759595128893232
Energy: 1.708640152855617
Energy: 1.7930355023820286
Energy: 1.8161362161388324

minimum gb energy = 1.3502297312864793 eV
minimum distance =  2.43127832990655 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.688386910722522
Energy: 1.861897601848723
Energy: 1.771883135441366
Energy: 1.8372243760403075
Energy: 1.7864128808461903
Energy: 1.7086058694866966
Energy: 1.8471679569818231
Energy: 1.81109419795457
Energy: 1.979008197180553
Energy: 1.802193068472092
Energy: 1.7792345403771879
Energy: 1.8703369019915215
Energy: 1.7700863016072357
Energy: 1.9366897497002826
Energy: 1.7702289905861215
Energy: 1.7993104015919827
Energy: 1.6563338625781443
Energy: 1.717022407455928
Energy: 1.7546993370938528
Energy: 1.6528496249588025
Energy: 1.8716521963294896
Energy: 1.6707371035500784
Energy: 1.8803746346914156
Energy: 1.631195197974339
Energy: 1.780694244991932
Energy: 1.7455515291154766
Energy: 1.6236267590824167
Energy: 1.896230506888613
Energy: 1.5826358884232312
Energy: 1.8273311416094122
Energy: 1.7073349974101537
Energy: 1.8006719892213052
Energy: 1.8812722836956846
Energy: 1.7803849139051098
Energy: 1.7742703640219046
Energy: 1.558375362899279
Energy: 1.6911933709553801
Energy: 1.6816976275138222
Energy: 1.7632682828668131
Energy: 1.6768647181224154
Energy: 1.673738098359511
Energy: 1.689520690550548
Energy: 1.7036026417910444
Energy: 1.901147159724529
Energy: 1.7443098643608663
Energy: 1.6596956854922458
Energy: 1.6506155929398407
Energy: 1.6975209204811297
Energy: 1.8174939312040714
Energy: 1.7356874375069338
Energy: 1.7030620619760866
Energy: 1.6670570766925021
Energy: 1.709696403810211
Energy: 1.6778975484404883
Energy: 1.6579775737321762
Energy: 1.9069696531424902
Energy: 1.7057733310073555
Energy: 1.7626847278596542
Energy: 1.6101844594414956
Energy: 1.7274780288263223
Energy: 1.6839065932517745
Energy: 1.6268152940677618
Energy: 1.7714215567556248
Energy: 1.578671555967433
Energy: 1.7222614735852146
Energy: 1.6768731910135874
Energy: 1.792747344059142
Energy: 1.751965583108745
Energy: 1.7942782644490995
Energy: 1.7584927312420868
Energy: 1.610893708098711
Energy: 1.6899538340779159
Energy: 1.6770474689138026
Energy: 1.7789757281081786
Energy: 1.7570073213800468
Energy: 1.6330836811079388
Energy: 1.6522097898209085
Energy: 1.7613656468643077
Energy: 1.8905880270582487
Energy: 1.6597917326304032
Energy: 1.6320001670719877
Energy: 1.6144415475712706
Energy: 1.5834613736780208
Energy: 1.8080378957960286
Energy: 1.688107624087043
Energy: 1.6061892942926834
Energy: 1.621994481060558
Energy: 1.7232372463016776
Energy: 1.6303648716292534
Energy: 1.6083322977762655
Energy: 1.6632996144524486
Energy: 1.6287635556378792
Energy: 1.7954539955644313
Energy: 1.7307094443700228
Energy: 1.7112193496397603
Energy: 1.7949560317449347
Energy: 1.7722825191993776
Energy: 1.80503676480929
Energy: 1.5919398877770279
Energy: 1.678941673042296
Energy: 1.5811534751573837
Energy: 1.765402282745772
Energy: 1.7133852802815772
Energy: 1.7095922028908908
Energy: 1.7314861758593043
Energy: 1.5487112667415115
Energy: 1.7525026760082805
Energy: 1.7544560690376634
Energy: 1.7758650995361034
Energy: 1.7154666230844078
Energy: 1.7510035731548066
Energy: 1.7909388890262545
Energy: 1.7476634210408424
Energy: 1.9479814840436116
Energy: 1.69236321670437
Energy: 1.6992214945282118
Energy: 1.6399955835230593
Energy: 1.6078768864158126
Energy: 1.8725661833082814
Energy: 1.633031578498259
Energy: 1.7573483549100772
Energy: 1.6506785432209512
Energy: 1.7449489862438943
Energy: 1.644141123729946
Energy: 1.6339404208691968
Energy: 1.7006597781320967
Energy: 1.6998136812982034
Energy: 1.9042444709747857
Energy: 1.7371699172298078
Energy: 1.7533901308508817
Energy: 1.8877305964813607
Energy: 1.817901714990183
Energy: 1.8777581778327352
Energy: 1.6596198002191875
Energy: 1.8271061336301813
Energy: 1.666753168253506
Energy: 1.7934077514135174
Energy: 1.8320792413071991
Energy: 1.7134986803875543
Energy: 1.8774393720357139
Energy: 1.7176348254695122
Energy: 1.9136156020015789
Energy: 1.7484186701849878
Energy: 1.8532397691892069
Energy: 1.7256585889247307
Energy: 1.684795478762085
Energy: 1.931389763648178
Energy: 1.7571123731222988
Energy: 1.9367962828567786
Energy: 1.7537938056424112
Energy: 1.8396381002424584
Energy: 1.7986388084327187
Energy: 1.689032820230821
Energy: 1.9572763537391633
Energy: 1.6780102708377271
Energy: 1.8777784952332226
Energy: 1.7781087457331164
Energy: 1.8395578906107806
Energy: 1.8101660398143833
Energy: 1.7004468436307039
Energy: 1.813931191742641
Energy: 1.7838897411659933
Energy: 1.9924402687806064
Energy: 1.8070757640464077
Energy: 1.7511621105635045
Energy: 1.8574421869191873
Energy: 1.7767313803222229
Energy: 1.9592608160247476
Energy: 1.6568120819043484
Energy: 1.7922150671715105
Energy: 1.6612952757811963
Energy: 1.7098180038337878
Energy: 1.6847450690646388
Energy: 1.641861402396053
Energy: 1.8523960227267011
Energy: 1.7189444965961762
Energy: 1.9099088223284526
Energy: 1.6456997804166176
Energy: 1.782436214015329
Energy: 1.7197868949246515
Energy: 1.6132346920548126
Energy: 1.9043317804620743
Energy: 1.5862655587321635
Energy: 1.8250271589201084
Energy: 1.7224187512234503
Energy: 1.8103738553361313
Energy: 1.8174296558040206
Energy: 1.759527165777565
Energy: 1.7685229973517707
Energy: 1.5507567272218248
Energy: 1.6998969887536532
Energy: 1.6415429975340199
Energy: 1.766795879069338
Energy: 1.6864574856644954
Energy: 1.634688147932997
Energy: 1.7090202753135875
Energy: 1.7282006367291272
Energy: 1.898119932231501
Energy: 1.75431916470264
Energy: 1.7978117809142633
Energy: 1.6673781618877044
Energy: 1.703486295506818
Energy: 1.8172317883546767
Energy: 1.739798423236469
Energy: 1.6977325900414681
Energy: 1.6346277707389436
Energy: 1.699055975171784
Energy: 1.6528600618682747
Energy: 1.587856416484435
Energy: 1.848100283088536
Energy: 1.7273282556351393
Energy: 1.7811220177819522
Energy: 1.6400089279052923
Energy: 1.7286901672855641
Energy: 1.6771829676380563
Energy: 1.6221188883255655
Energy: 1.8130889505120376
Energy: 1.6601687968018701
Energy: 1.6871320429823748
Energy: 1.6848015084876313
Energy: 1.8011840143967486
Energy: 1.744405800925704
Energy: 1.7311891850242185
Energy: 1.686642751667056
Energy: 1.6234735163933163
Energy: 1.7164181171469024
Energy: 1.7274551576050061
Energy: 1.8015247932048553
Energy: 1.7843074356414426
Energy: 1.7020786675011907
Energy: 1.7832148128079859
Energy: 1.7552403639079202
Energy: 1.8888633237781698
Energy: 1.6397644937527989
Energy: 1.6506996074238416
Energy: 1.6117144035391127
Energy: 1.5721610983456007
Energy: 1.8093106795513354
Energy: 1.6941825100959318
Energy: 1.7875762691820747
Energy: 1.6195977262931327
Energy: 1.7428769784354936
Energy: 1.6525383769113309
Energy: 1.619345495735292
Energy: 1.7317648620242916
Energy: 1.627771414478447
Energy: 1.7719661177625816
Energy: 1.6943340959411974
Energy: 1.8016732407822722
Energy: 1.7464624370240716
Energy: 1.7431827073193835
Energy: 1.7907412253105268
Energy: 1.5904964467009768
Energy: 1.6884846304603798
Energy: 1.5899214643113724
Energy: 1.7679956743874556
Energy: 1.7171847059966778
Energy: 1.7037383258961951
Energy: 1.7482954541938323
Energy: 1.5470663876572077
Energy: 1.7485355337234139
Energy: 1.754411078306008
Energy: 1.818449095198539
Energy: 1.7129108575869711
Energy: 1.7313866206306956
Energy: 1.79425364440512
Energy: 1.7000814324255482
Energy: 1.9376277481325546
Energy: 1.69660970391188
Energy: 1.7433693870281466
Energy: 1.6262638635282691
Energy: 1.547575192115677
Energy: 1.8640068304763016
Energy: 1.6317891764584087
Energy: 1.7768612624526738
Energy: 1.6720254874493319
Energy: 1.7473222791920562
Energy: 1.7104593945558597
Energy: 1.6255803828647373
Energy: 1.722148834326414
Energy: 1.7240651625104315
Energy: 1.882309709249512
Energy: 1.7297104824703649
Energy: 1.7718124323665043
Energy: 1.8811529079310043
Energy: 1.8516545356456464
Energy: 1.8945901321102603
Energy: 1.6912844388958836
Energy: 1.8110031308077215
Energy: 1.6615080482255815
Energy: 1.793632104264654
Energy: 1.8471820074170564
Energy: 1.7210805503750195
Energy: 1.8540334138921204
Energy: 1.7167772318800085
Energy: 1.9118139983471745
Energy: 1.7497142272128958
Energy: 1.8517369086522024
Energy: 1.734400810697852
Energy: 1.6858701252211536
Energy: 1.9347283911000948
Energy: 1.7518032610488135
Energy: 1.9927492657874033
Energy: 1.7523983950451727
Energy: 1.8393884253006378
Energy: 1.7888231879743106
Energy: 1.6988212076504872
Energy: 1.9433922655505775
Energy: 1.6719777590154847
Energy: 1.8842405726143785
Energy: 1.7750411173721594
Energy: 1.8378697532231698
Energy: 1.8256632047740087
Energy: 1.7095881235708987
Energy: 1.881335959760634

minimum gb energy = 1.5470663876572077 eV
minimum distance =  2.39806394609898 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.39887532668247
Energy: 1.4756069117577566
Energy: 1.3985097214763116
Energy: 1.3860246931022822
Energy: 1.386275875504085
Energy: 1.397494806496736
Energy: 1.473881881354779
Energy: 1.495368077918614
Energy: 1.789921310793543
Energy: 1.3416938207018017
Energy: 1.321948892330137
Energy: 1.3331464069925307
Energy: 1.3425090881190578
Energy: 1.8083334885469555
Energy: 1.3479114732543473
Energy: 1.8080060693003677
Energy: 1.3853804695642575
Energy: 1.412443721474526
Energy: 1.380951475138824
Energy: 1.3853016132257165
Energy: 1.3962640234597585
Energy: 1.3925290986882939
Energy: 1.6802443204436759
Energy: 1.3831743861821613
Energy: 1.3801343201103897
Energy: 1.3900221812823377
Energy: 1.3826947230175282
Energy: 1.3998885087773658
Energy: 1.4997771587131183
Energy: 1.6912229802122243
Energy: 1.3828872754493788
Energy: 1.8416047445992976
Energy: 1.3327619677216958
Energy: 1.3717002068845316
Energy: 1.8152815012713883
Energy: 1.3828894575377082
Energy: 1.8395731560942334
Energy: 1.381142570128378
Energy: 1.3867744504711703
Energy: 1.3869485647046147
Energy: 1.397627307452282
Energy: 1.4739139914116342
Energy: 1.406102097135034
Energy: 1.768292444917592
Energy: 1.3815805212426135
Energy: 1.401610078924527
Energy: 1.39098834028228
Energy: 1.3408684842620737
Energy: 1.8088282070447197
Energy: 1.4083956296577362
Energy: 1.8109146227362776
Energy: 1.380735439948437
Energy: 1.4141276169177293
Energy: 1.4014176718439288
Energy: 1.3810456600826988
Energy: 1.8097575303543871
Energy: 1.3840052438269863
Energy: 1.8524776644443053
Energy: 1.381430425560502
Energy: 1.3792367527940756
Energy: 1.3880172025389177
Energy: 1.399002239765857
Energy: 1.4747083215907322
Energy: 1.4998823491467068
Energy: 1.690918105595497
Energy: 1.3813006947806226
Energy: 1.7170776739612976
Energy: 1.8510290365625859
Energy: 1.371512841942506
Energy: 1.7818766424366306
Energy: 1.3912666458953908
Energy: 1.67867702666623
Energy: 1.3817485487442145
Energy: 1.3884535890150052
Energy: 1.3904613988259287
Energy: 1.3819929504638337
Energy: 1.4935448281695058
Energy: 1.4059578163257704
Energy: 1.8112850967628888
Energy: 1.3806110421783275
Energy: 1.4005939463469317
Energy: 1.4147189301925582
Energy: 1.3800500181597806
Energy: 1.810286114154162
Energy: 1.4025591091407648
Energy: 1.8097958038421957
Energy: 1.3812665588821549
Energy: 1.4016920274753126
Energy: 1.3213615972932635
Energy: 1.3417702491573182
Energy: 1.8084570209305644
Energy: 1.3823831928951293
Energy: 1.8395020816041008
Energy: 1.3812326764216574
Energy: 1.3862828607783975
Energy: 1.3865258060377579
Energy: 1.3970519874864917
Energy: 1.4742880218992456
Energy: 1.5003720048151177
Energy: 1.7968957166211987
Energy: 1.3730321251611237
Energy: 1.3235903210534612
Energy: 1.3322992386989654
Energy: 1.3402989784144574
Energy: 1.707082223874184
Energy: 1.393648647700424
Energy: 1.6826821691749665
Energy: 1.3839164082194586
Energy: 1.390742341948937
Energy: 1.3912117230224224
Energy: 1.3839376588093304
Energy: 1.3959919303274166
Energy: 1.3476219492901154
Energy: 1.6812721472692986
Energy: 1.3846216506846598
Energy: 1.3894399478308137
Energy: 1.3869929509438048
Energy: 1.3846529717126805
Energy: 1.4003255540036175
Energy: 1.4946877740888098
Energy: 1.7896699138786623
Energy: 1.341679001221696
Energy: 1.3228515732571369
Energy: 1.3232261770533456
Energy: 1.341020699091418
Energy: 1.7671649057934307
Energy: 1.3824341404110039
Energy: 1.839347676266509
Energy: 1.3819697366766523
Energy: 1.3861267111346574
Energy: 1.3861998586328408
Energy: 1.3970503709828146
Energy: 1.4743879807238778
Energy: 1.4078666410031346
Energy: 1.8303428017137573
Energy: 1.3428345133730966
Energy: 1.321863781807804
Energy: 1.3333862699711825
Energy: 1.3426787678869325
Energy: 1.8085985399990667

minimum gb energy = 1.3213615972932635 eV
minimum distance =  2.43072981105596 Angstroms
sigma value = 23