Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371556162834
cohesive_energy=5.770453839983518
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-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: 0.02144315001455829
Energy: 0.13349278988170413
Energy: 0.13268279954876447
Energy: 0.13468874996458735
Energy: 0.023157465138218623
Energy: 0.02344387615078359
Energy: 0.1329115478219906
Energy: 0.13502791982140416
Energy: 0.1345258274599711
Energy: 0.023120926275011923
Energy: 0.1344832487132196
Energy: 0.13385456002998172
Energy: 0.13377547289644304
Energy: 0.13337716193476246
Energy: 0.1335153979383638
Energy: 0.13498307829282244
Energy: 0.13399838408253706
Energy: 0.1338452110286664
Energy: 0.13266327909870637
Energy: 0.13552506063702485
Energy: 0.13296181924674083
Energy: 0.022795102704622084
Energy: 0.022003782955461532
Energy: 0.13399887249150597
Energy: 0.13296669237014266
Energy: 0.13307463457376975
Energy: 0.02278165682993807
Energy: 0.02196247017198344
Energy: 0.13365240520162447
Energy: 0.13490600874552872
Energy: 0.13309930628263453
Energy: 0.022685424128649455
Energy: 0.02251833100992251
Energy: 0.13311440013340994
Energy: 0.13373137441229668
Energy: 0.13314214062081467
Energy: 0.02277124603496795
Energy: 0.022483062103879847
Energy: 0.1322292736770417
Energy: 0.13256974581434872
Energy: 0.13277598473080157
Energy: 0.1344652119367521
Energy: 0.13329182540440832
Energy: 0.022310681873860358
Energy: 0.022361495424314096
Energy: 0.13271439853057534
Energy: 0.1348058648273336
Energy: 0.13336452271507876
Energy: 0.022679490969813337
Energy: 0.1324836578209935
Energy: 0.13307469859531168
Energy: 0.13364636702588625
Energy: 0.13482518797738355
Energy: 0.022394810648711325
Energy: 0.023038185332183502
Energy: 0.13284033655844973
Energy: 0.887436855707209
Energy: 0.13513283765377182
Energy: 0.022514936944803367
Energy: 0.023476565826576295
Energy: 0.02346803363869482
Energy: 0.13387177937165398
Energy: 0.13329945948335534
Energy: 0.13526652823952356
Energy: 0.13378074927846653
Energy: 0.02346682514376877
Energy: 0.13400252077495972
Energy: 0.13330901373939158
Energy: 0.13678923034064366
Energy: 0.13343552693730978

minimum gb energy = 0.02144315001455829 eV
minimum distance =  2.73481740061777 Angstroms
sigma value = 3


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

Energy: 1.7524911275734634
Energy: 1.6118962698825121
Energy: 1.487784828969631
Energy: 1.5840581869479906
Energy: 1.717001163052946
Energy: 1.5807184554938207
Energy: 1.6995843725015438
Energy: 1.483088186854054
Energy: 1.5895381192152327
Energy: 1.6675366535319238
Energy: 1.771367820549406
Energy: 1.826468503017986
Energy: 1.6817447297537804
Energy: 1.5948940613961102
Energy: 1.4449708396993717
Energy: 1.792308053558613
Energy: 1.7920316441767419
Energy: 1.7257892141362197
Energy: 1.5814215721099008
Energy: 1.5634651886933475
Energy: 1.594553262434401
Energy: 2.0620691582205692
Energy: 2.1983265747672167
Energy: 1.5911349768971301
Energy: 1.5122644398336142
Energy: 1.4176809680737226
Energy: 2.0832698031761376
Energy: 2.1059801259952384
Energy: 1.5697243400077203
Energy: 1.56174283877725
Energy: 1.5579782854673623
Energy: 1.707639346483302
Energy: 1.9882673092169743
Energy: 1.375211893840203
Energy: 1.5407388644725268
Energy: 1.5302874893011273
Energy: 1.9549777043730905
Energy: 1.9854874585096907
Energy: 1.5577305442500644
Energy: 1.562401262736325
Energy: 1.882409474185711
Energy: 1.8810006802075558
Energy: 1.828762147630088
Energy: 1.9230985294829488
Energy: 1.7574024273965605
Energy: 1.8259154488222205
Energy: 1.841828338664349
Energy: 1.7683148353633589
Energy: 1.9058184255220303
Energy: 1.6656166414575
Energy: 1.9767742803215558
Energy: 1.7582189852123298
Energy: 1.7548258175686036
Energy: 1.5420329092615512
Energy: 1.7839946491385397
Energy: 1.7887524636036796
Energy: 1.7624803459979048
Energy: 1.7108248914522497
Energy: 1.769517483060568
Energy: 1.7795043100470485
Energy: 1.7770901788603555
Energy: 1.693091145878998
Energy: 2.048053991408007
Energy: 1.7389354125122412
Energy: 1.8294494989926757
Energy: 1.7417373298289842
Energy: 1.658723945828942
Energy: 1.9937737196444836
Energy: 1.6194416378272456
Energy: 1.8488829053572688
Energy: 1.4813859798973927
Energy: 1.6838918811073869
Energy: 1.8959502536598642
Energy: 1.7558710418760521
Energy: 1.6215049634500756
Energy: 1.484127695111986
Energy: 1.7459313966956223
Energy: 1.6170943282054147
Energy: 1.7374140699829128
Energy: 1.5229001190458828
Energy: 1.785077793765276
Energy: 1.7548601329950837
Energy: 1.7088007931795721
Energy: 2.0722921163108685
Energy: 1.8541538846568897
Energy: 1.8327419389111248
Energy: 1.77083443372314
Energy: 1.6000339879281094
Energy: 1.999321439030893
Energy: 1.8710888061382243
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Energy: 1.4818435734529276
Energy: 1.5447215549690314
Energy: 2.2545522094532893
Energy: 1.6297527625006156
Energy: 1.5631837311407222
Energy: 1.3221534045784575
Energy: 1.5761723770820841
Energy: 2.2087064253705604
Energy: 1.9449576393477126
Energy: 1.5867680335205456
Energy: 1.5555988583124145
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Energy: 1.8748808539962616
Energy: 2.0174480445835163
Energy: 1.268204618444493
Energy: 1.543037299122439
Energy: 1.556924623663713
Energy: 2.010374671296452
Energy: 1.7641324982420767
Energy: 1.7647562287542673
Energy: 1.8291707202086545
Energy: 1.8187795714979484
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Energy: 1.7969208580716427
Energy: 1.7433664300593659
Energy: 1.8380010673722653
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Energy: 1.7944602371936222
Energy: 1.668691502637866
Energy: 1.9004222605156085
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Energy: 1.7662783338902046
Energy: 1.756166720063155
Energy: 1.8850424710827807
Energy: 1.7784113480951291
Energy: 1.7557224383976588
Energy: 1.8823528397117115
Energy: 1.5111503567829372
Energy: 1.6692603107687343
Energy: 1.8335902823521157
Energy: 1.7412673451694622
Energy: 2.0487555312807677
Energy: 1.7424268765702675
Energy: 1.8986798598147132
Energy: 1.8252145419894212
Energy: 1.6859976386085276
Energy: 1.9099989198777165
Energy: 1.5827474659855558
Energy: 1.7708098341252434
Energy: 1.4989735548188048
Energy: 1.5000639666933033
Energy: 1.7009622238085798
Energy: 1.7010576123006171
Energy: 1.7357525687354143
Energy: 1.4947189371670542
Energy: 1.5051977553491016
Energy: 1.756197543632808
Energy: 1.707906262270678
Energy: 1.7822693518898678
Energy: 1.6712099239157645
Energy: 1.552047314345437
Energy: 1.5919723815649174
Energy: 2.0916638325737638
Energy: 1.8277848773866494
Energy: 1.7639636900154823
Energy: 1.7480834349754517
Energy: 1.5280672212693112
Energy: 1.4591417755526797
Energy: 2.0559294772786982
Energy: 2.1083778238589472
Energy: 1.5743179462130514
Energy: 1.563725741486096
Energy: 1.5615091649890616
Energy: 2.066060059136742
Energy: 2.097834894730503
Energy: 1.5892759860575143
Energy: 1.508593451452901
Energy: 1.5304642157995214
Energy: 1.8372112108463823
Energy: 2.002079323907577
Energy: 1.5717491984081386
Energy: 1.3216075814227821
Energy: 1.534357100973915
Energy: 1.8357745032179773
Energy: 2.0564723088920793
Energy: 1.3104509238439312
Energy: 1.3454387553936245
Energy: 1.8220731805776993
Energy: 1.9356676002799469
Energy: 1.7935290945857838
Energy: 1.9412736584299928
Energy: 1.68963444824985
Energy: 1.8655441451231192
Energy: 1.940882424774871
Energy: 1.8362476165460142
Energy: 1.9376488164676688
Energy: 1.7554958626575283
Energy: 1.7962085959137326
Energy: 1.7548533019196557
Energy: 1.6673753174014954
Energy: 1.8281033041790682
Energy: 1.7686478206331584
Energy: 1.7897099545588735
Energy: 1.7590550940619427
Energy: 1.7612272085957148
Energy: 1.4562068719080263
Energy: 1.781586315987895
Energy: 1.7567746191584468
Energy: 1.7775659788859646
Energy: 1.9888784547073461
Energy: 1.571663101242593
Energy: 1.862263001166158
Energy: 1.7743046529339965
Energy: 1.7916096998472164
Energy: 2.0359369762313597
Energy: 1.6758237040093158
Energy: 1.8240344414735221
Energy: 1.4788923615814122
Energy: 1.7245215097318114
Energy: 1.951589581571222
Energy: 1.7597268425333512
Energy: 1.6188625586833547
Energy: 1.483976373376171
Energy: 1.6770240704282646
Energy: 1.7513655898521037
Energy: 1.786122789427985
Energy: 1.6093604817873763
Energy: 1.708508765307951
Energy: 1.7586074708044563
Energy: 1.6173786233430165
Energy: 1.9991860465195495
Energy: 1.8304516118551013
Energy: 1.7211252370266568
Energy: 1.761278114828371
Energy: 1.6321027276385571
Energy: 2.075592149308578
Energy: 1.7907040968354875
Energy: 1.6273234883598353
Energy: 1.5679221690657428
Energy: 1.3382708562556076
Energy: 1.635162693701233
Energy: 2.0272020372231396
Energy: 1.5609566258444205
Energy: 1.5355561911230249
Energy: 1.5676807065317793
Energy: 1.562880260644471
Energy: 2.26307739914444
Energy: 2.063756753281706
Energy: 1.3195486672673746
Energy: 1.5602206791150355
Energy: 1.5694030742630982
Energy: 1.9397067751071564
Energy: 1.693776888446328
Energy: 1.517493972871749
Energy: 1.5691452396398349
Energy: 1.5674021625288146
Energy: 1.8922496364514534
Energy: 1.7895089355309188
Energy: 1.6031851179209546
Energy: 1.839207552860613
Energy: 1.9622935260876333
Energy: 1.80879206195291
Energy: 1.9973680513398306
Energy: 1.6279853947452267
Energy: 1.864986109722831
Energy: 1.9223168132134003
Energy: 1.9541727137908078
Energy: 1.88355625484997
Energy: 1.4548863058451973
Energy: 1.7845582563775362
Energy: 1.7581591045925298
Energy: 1.7880553064169673
Energy: 1.7044707860826482
Energy: 1.9690546314075923
Energy: 1.762715902837191
Energy: 1.75406477768392
Energy: 1.88644410339961
Energy: 1.6342523276262177
Energy: 1.8763210428821062
Energy: 1.8410160657722296
Energy: 1.6794998727721928
Energy: 1.9439438725790705
Energy: 1.3767989159114802
Energy: 1.897271194167609
Energy: 1.7897082167424545
Energy: 1.6115583296713878
Energy: 2.0868519085448654
Energy: 1.759282140657567
Energy: 1.711512268517527
Energy: 1.47626118275078
Energy: 1.4833259912895602
Energy: 1.7276171607031856
Energy: 1.5866716408135926
Energy: 1.7353202512150934
Energy: 1.4803222686698738
Energy: 1.4868020169814806
Energy: 1.6529016057670696

minimum gb energy = 1.268204618444493 eV
minimum distance =  2.36781337804619 Angstroms
sigma value = 75


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

Energy: 2.350750985482447
Energy: 1.7991121660796978
Energy: 1.6932032849451568
Energy: 1.829653955017928
Energy: 1.8682496468061873
Energy: 2.2342526056303855
Energy: 1.8120650009524166
Energy: 1.6515278479944742
Energy: 1.8251186814937854
Energy: 1.8036339198110674
Energy: 1.9927698208477533
Energy: 1.993483827600673
Energy: 1.8453195355344458
Energy: 1.543401453254652
Energy: 1.524086544439031
Energy: 1.9537638328595814
Energy: 1.8687924207389566
Energy: 1.7935205862276264
Energy: 1.5659119580762513
Energy: 1.6204805518323324
Energy: 1.7620689281178845
Energy: 1.831279848862979
Energy: 1.800327332161447
Energy: 1.6417755257302489
Energy: 1.4618881565403907
Energy: 1.7173131404954758
Energy: 1.8245334512765694
Energy: 1.7932217581376115
Energy: 1.6088789753860087
Energy: 1.4549889123067508
Energy: 1.7828166138143824
Energy: 1.7084155697944199
Energy: 1.9864845290573827
Energy: 1.5640605563929015
Energy: 1.4500006020568856
Energy: 1.778484853451036
Energy: 1.861883632044397
Energy: 1.957857109224914
Energy: 1.5520006736601788
Energy: 1.4502672975888753
Energy: 1.9722408800705151
Energy: 1.9492666284804252
Energy: 1.7429712101560317
Energy: 1.845848509395942
Energy: 1.755265509871759
Energy: 1.9194101032901152
Energy: 1.7713138478913595
Energy: 1.7429796217076148
Energy: 1.8408490004161135
Energy: 1.791290228955996
Energy: 1.6771216273011034
Energy: 2.2070772440174364
Energy: 1.8629288115876061
Energy: 1.7157635693459257
Energy: 1.852322979377874
Energy: 1.6416916108867339
Energy: 2.1838324720601534
Energy: 1.7984671463892872
Energy: 1.8435045217812327
Energy: 1.8260562138327154
Energy: 1.5625543853017998
Energy: 1.6625402047403455
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Energy: 1.832691467273059
Energy: 1.5949092960804725
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Energy: 1.5905893394818338
Energy: 1.4514723280161956
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Energy: 1.792897703667725
Energy: 1.6377157382068124
Energy: 1.4542906275487886
Energy: 1.7210439346177833
Energy: 1.7991716686073986
Energy: 1.7925074568094965
Energy: 1.6207882905199957
Energy: 1.5527332884462959
Energy: 1.7633243771941003
Energy: 1.8189931319263355
Energy: 1.904189353282925
Energy: 1.5732118404531887
Energy: 1.5520056156449173
Energy: 1.7516869891586797
Energy: 1.5732727505436777
Energy: 1.8904409413112404
Energy: 1.5591403065270661
Energy: 1.7755844061592378
Energy: 2.006985173893758
Energy: 1.690053143340255
Energy: 1.8141224461408385
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Energy: 1.7689935330019229
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Energy: 1.7072790300669154
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Energy: 1.838066779115917
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Energy: 1.706380086177413
Energy: 2.003255711686418
Energy: 1.7909436166881842
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Energy: 1.7609435945745051
Energy: 1.7023261100441194
Energy: 2.0125927072990297
Energy: 1.737363054512527
Energy: 1.7771288827455993
Energy: 1.6175433414794136
Energy: 1.5191436597107806
Energy: 1.652516204149611
Energy: 1.9262267689933588
Energy: 1.6082982724643824
Energy: 1.6317362098898975
Energy: 1.515785752333279
Energy: 1.9581788795652066
Energy: 1.8669802674079048
Energy: 1.6109507875859805
Energy: 1.741171765348191
Energy: 1.4497280034874434
Energy: 1.6455359376967418
Energy: 1.795777183206211
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Energy: 1.4520987685543147
Energy: 1.6402165906658626
Energy: 1.7935910801881985
Energy: 1.8160488709525313
Energy: 1.5409428404335006
Energy: 1.7061724731146628
Energy: 1.7392158755595108
Energy: 1.674369285793414
Energy: 1.89618051929725
Energy: 1.5296235170273442
Energy: 1.6526750254442966
Energy: 1.7602266912260909
Energy: 1.7000070158333216
Energy: 1.883591553462366
Energy: 1.7826878741877659
Energy: 1.8811234817701548
Energy: 2.157683175231693
Energy: 1.71060477437358
Energy: 1.8371387928453087
Energy: 1.7759348208194607
Energy: 1.8852047448413347
Energy: 2.045553921228073
Energy: 1.7081942576676483
Energy: 1.7900810496975401
Energy: 1.7500210424567235
Energy: 1.7527240068341383
Energy: 1.7131561401142783
Energy: 2.151379746988562
Energy: 1.6026830288735934
Energy: 1.7580604500955541
Energy: 1.7595832493961094
Energy: 1.7104059170724215
Energy: 1.957403219051011
Energy: 1.5893771274333321
Energy: 1.6048053955302495
Energy: 1.6199930038107422
Energy: 1.5843685618363794
Energy: 1.6252236243282552
Energy: 1.7931715717763992
Energy: 1.6156924420903709
Energy: 1.6211299314539704
Energy: 1.6308069225068977
Energy: 1.9495248535329528
Energy: 1.8749651534320104
Energy: 1.76095892441438
Energy: 1.4508634990636744
Energy: 1.4586944255623673
Energy: 1.6443529163552226
Energy: 1.794845828204218
Energy: 1.7402333111221167
Energy: 1.4521181692225247
Energy: 1.452868519334906
Energy: 1.6274128202575993
Energy: 1.794776296950308
Energy: 1.9030558837315736
Energy: 1.8694766122995408
Energy: 1.621879730317396
Energy: 1.783993015212045
Energy: 1.563865439716945
Energy: 1.8956167013633265
Energy: 1.800007024740324
Energy: 1.6444731021370056
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minimum gb energy = 1.4485858699313814 eV
minimum distance =  2.43170987104889 Angstroms
sigma value = 105


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

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Energy: 1.7150638514511538
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Energy: 1.702284483936111
Energy: 1.7415614169004288
Energy: 1.6341812798497517
Energy: 1.5803358819469124
Energy: 1.617327003205682
Energy: 1.565679086440749
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Energy: 2.075751612161813
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Energy: 1.6010083594232107
Energy: 1.5788388284338994
Energy: 1.7944541906980267
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Energy: 1.5864607816709535
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Energy: 1.8804964469597167
Energy: 1.5744980582468344
Energy: 1.540102670080484
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Energy: 1.8696079741319382
Energy: 1.8342170716302801
Energy: 1.5348910310492416
Energy: 1.634373359986294
Energy: 1.6471444279354595
Energy: 1.8595749974709763
Energy: 1.6386124749166353
Energy: 1.5603147660442906
Energy: 1.731873685797077
Energy: 1.7346386568485812
Energy: 1.5977544374622095
Energy: 2.1417734704759095
Energy: 1.8816459120863123
Energy: 1.7033804175462484
Energy: 1.8174513349820223
Energy: 1.6754266666679956
Energy: 2.2060700236259283
Energy: 1.8230201812237428
Energy: 1.7015008337938393
Energy: 1.7902059575979978
Energy: 1.585295217291347
Energy: 1.59756459453745
Energy: 1.5732390980915334
Energy: 1.6395295432622512
Energy: 1.7938017300660543
Energy: 1.6635808591020045
Energy: 1.5777287357618777
Energy: 1.5908521484247355
Energy: 1.8200449851113962
Energy: 1.9043179418729133
Energy: 2.063683603014022
Energy: 1.558687665119007
Energy: 1.4668911619260905
Energy: 1.472709479977695
Energy: 1.6001445715247955
Energy: 1.9691257455223534
Energy: 1.4887557744720363
Energy: 1.437178430265669
Energy: 1.4263604633086675
Energy: 1.886295547805827

minimum gb energy = 1.4005917457542258 eV
minimum distance =  2.44658304946248 Angstroms
sigma value = 165


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

Energy: 1.7546634185611052
Energy: 1.5580957854085482
Energy: 1.6268936893335975
Energy: 1.6426993276168607
Energy: 1.7222326658551086
Energy: 1.653852460806002
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Energy: 1.7330112748731352
Energy: 1.8009447874442253
Energy: 1.6949504713730388
Energy: 1.679048938596967
Energy: 1.559570164146525
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Energy: 1.54510382339637
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Energy: 1.7497713496240825
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Energy: 1.614235396607467
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Energy: 1.681445544589516
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Energy: 1.6460025831069942
Energy: 1.542957977881625
Energy: 1.507238093806067
Energy: 1.6605477368275587
Energy: 1.8245189576848446
Energy: 1.6343211819143526
Energy: 1.5674804905138986
Energy: 1.5479033821954986
Energy: 1.7018071339885035
Energy: 1.7862176006604744
Energy: 2.215505545048205
Energy: 1.4531203744245536
Energy: 1.5245743223764148
Energy: 1.6056567764589327
Energy: 2.199899293680169
Energy: 2.215728245391412
Energy: 1.49388501175693
Energy: 1.5354347909368227
Energy: 1.6915896919086135
Energy: 1.598717510479268
Energy: 1.8868015049809288
Energy: 1.6479131896466732
Energy: 1.382705546814716
Energy: 1.5282326059007765
Energy: 1.8782132634280286
Energy: 1.8853923482175272
Energy: 1.7092792293886112
Energy: 1.3951238316621257
Energy: 1.5647194050321505
Energy: 1.9345115304192237
Energy: 1.5165287335466646
Energy: 1.6995594116804125
Energy: 1.6414962947144367
Energy: 1.6096661667646468
Energy: 1.8533100689902327
Energy: 1.4299051039105763
Energy: 1.6062080529531038
Energy: 1.6817071022193582
Energy: 1.6545140051246905

minimum gb energy = 1.3346220245934945 eV
minimum distance =  2.46704309259941 Angstroms
sigma value = 41


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

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Energy: 1.4027546611593376
Energy: 1.4435091593540883
Energy: 1.3760128494667625
Energy: 1.2797331203287634
Energy: 2.2986108013916935
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Energy: 1.311641507012516
Energy: 1.2820099174407937
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Energy: 1.30579417537304
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Energy: 1.4978170720458752
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Energy: 1.4496209692600381
Energy: 1.9155949988560839
Energy: 1.7870788894318699
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Energy: 1.3737054378867204
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Energy: 1.3183155722962803
Energy: 1.4884790978964648
Energy: 1.3932484767485094
Energy: 1.4164469970351312
Energy: 1.4442493482874539
Energy: 1.4160415245424902
Energy: 1.8942221169664135
Energy: 1.3279489489109575
Energy: 1.2579864657470803
Energy: 1.2915712699815514
Energy: 1.4185136986363986
Energy: 1.7353302908193984
Energy: 1.3192718874995952
Energy: 1.2688451932902167
Energy: 1.2665127722262304
Energy: 1.4248945043317875
Energy: 2.086253832960884
Energy: 1.252388574742239
Energy: 1.4256381191243914
Energy: 1.3994556237413882
Energy: 1.3659377116954297
Energy: 2.092025063095768
Energy: 1.3015171590104522
Energy: 1.433976650030079
Energy: 1.397937993969917
Energy: 1.510104548798694
Energy: 1.4325696707588251
Energy: 1.4632998486462758
Energy: 1.397341969730319
Energy: 1.329922535006327
Energy: 1.5656539314174576
Energy: 1.399328478177714
Energy: 1.4682556741322796
Energy: 1.3976235177320346
Energy: 1.3616714332461788
Energy: 1.821902755745596
Energy: 1.31020345832931
Energy: 1.3538273048415623
Energy: 1.3382192023470183
Energy: 1.3484100008343252
Energy: 1.6104338958384938
Energy: 1.2852586289676644
Energy: 1.3364827670834982
Energy: 1.3291092443534962
Energy: 1.4147354492923785

minimum gb energy = 1.2517255254354158 eV
minimum distance =  2.50434286637803 Angstroms
sigma value = 185


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

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Energy: 1.3286695641840953
Energy: 1.9688111342595918
Energy: 0.9506635824341589
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Energy: 0.5248015355120311
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Energy: 0.7195114666582608
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Energy: 1.9382060432400199
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Energy: 1.270899841850527
Energy: 0.9069388110187219
Energy: 0.9725287137976052
Energy: 0.9977793947874071
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Energy: 1.27864324721424
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Energy: 0.7115176142531039
Energy: 1.0999707948841226
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Energy: 1.2476970935049025
Energy: 1.1165707926528659
Energy: 0.7828035515913877
Energy: 0.9788733719528957
Energy: 2.5297338034299828
Energy: 1.2371954364562587
Energy: 0.5722862417244187
Energy: 0.5770150625656882
Energy: 0.976715432666801
Energy: 1.9026589490437331
Energy: 1.3204463213481539
Energy: 0.8019097369434145
Energy: 0.8092863351158451
Energy: 1.3133121555662373
Energy: 1.9649953589494016
Energy: 1.0865455047604313
Energy: 1.069308414656579
Energy: 0.9661641507368502
Energy: 1.1103736099141162
Energy: 1.280998635940543
Energy: 0.8636586461924579
Energy: 0.9906662201313496
Energy: 0.9661575039583713
Energy: 1.3232130606255699
Energy: 1.2223194936365134
Energy: 1.0513415587041215
Energy: 0.9354875814638295
Energy: 1.009005037558277
Energy: 1.326364367016718
Energy: 1.2050639500025815
Energy: 0.8531880016948516
Energy: 0.5239545253394218
Energy: 0.9606291259568513
Energy: 1.6248032121036116
Energy: 1.276855111770265
Energy: 0.9358453281468039

minimum gb energy = 0.5239545253394218 eV
minimum distance =  2.56935278725513 Angstroms
sigma value = 33


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

Energy: 2.050471542987044
Energy: 1.388077888918214
Energy: 1.3908684914118767
Energy: 1.3564300479467863
Energy: 1.3656987532653284
Energy: 1.9984084282840524
Energy: 1.2425943040697391
Energy: 1.3738899700304903
Energy: 1.3717117641892838
Energy: 1.479013782358706
Energy: 1.382159744640911
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Energy: 1.1930304813884476
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Energy: 1.303329080151715
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Energy: 1.3112211298518845
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Energy: 1.219471070696741
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Energy: 1.2553152690278861
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Energy: 1.2000614302782757
Energy: 1.2624944768691615
Energy: 1.3612212401214243
Energy: 1.8988191440188713
Energy: 1.4254419745659677
Energy: 1.1677758977911339
Energy: 1.4306721642355675
Energy: 1.4606499486686573
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Energy: 1.158374873625346
Energy: 1.3887362306639979
Energy: 1.7436351398070054
Energy: 1.4033066978979913
Energy: 1.2119909931877861
Energy: 1.1585986073055765
Energy: 1.3441794244723808
Energy: 1.6149945664163419
Energy: 1.3615408375484574
Energy: 1.4484896042925257
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Energy: 1.2018587980373072
Energy: 1.5946854927900018
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Energy: 1.4384659110311087
Energy: 1.148270233177963
Energy: 1.196350232183497
Energy: 1.3847412001678447
Energy: 1.4279517272362834
Energy: 1.9041607637686093
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Energy: 1.168547107568819
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Energy: 2.106115784064225
Energy: 1.2304027912404687
Energy: 1.359934811782934
Energy: 1.263813318161858
Energy: 1.566619544389411

minimum gb energy = 1.1242874075327016 eV
minimum distance =  2.42860336845204 Angstroms
sigma value = 219


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

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Energy: 1.7560780614988813
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Energy: 1.6450012946746229
Energy: 1.6688603413877503
Energy: 1.4319772588684345
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Energy: 1.4811484526799188
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Energy: 1.433912192831653
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Energy: 1.6641801921815007
Energy: 1.452080465224938
Energy: 1.6931426972490287
Energy: 1.4263621574024674
Energy: 1.4397486983771477

minimum gb energy = 1.3571925630248298 eV
minimum distance =  2.51351693998084 Angstroms
sigma value = 15


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

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Energy: 2.078938069109533
Energy: 1.8054982932062646
Energy: 1.762138345985125
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Energy: 1.8928795658602804
Energy: 2.0940869612263677
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Energy: 1.6236237095148613
Energy: 1.9019208389315616
Energy: 2.1175206498448245
Energy: 1.7993641630468231
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Energy: 2.009651368610579
Energy: 1.6319455472968154
Energy: 1.5600326084824352
Energy: 1.6936875151080566
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minimum gb energy = 1.5520580309589218 eV
minimum distance =  2.48400059286458 Angstroms
sigma value = 293


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

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Energy: 2.1317352697444245
Energy: 1.792907912271908
Energy: 1.618328978066055
Energy: 1.7431701882734119
Energy: 2.1840506316712243
Energy: 1.676004701703672
Energy: 1.7892788726822666
Energy: 1.6186150906111163
Energy: 1.8240381663871503
Energy: 1.8260200104585287
Energy: 1.6750834888603756
Energy: 1.5076338978905772
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Energy: 1.6825920433330623
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Energy: 1.947568748083041
Energy: 1.6406706130356665
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Energy: 1.6578374875873483
Energy: 1.8881245455393838
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Energy: 1.5077332856712053
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Energy: 1.5159626475884416
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Energy: 2.131297824243206
Energy: 2.5160832807115137
Energy: 1.7946275265497706
Energy: 1.671259525024904
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Energy: 1.8046879215660183
Energy: 1.66380764123515
Energy: 1.8658425163807033
Energy: 1.6917562100261625
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Energy: 1.6533380338332817
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Energy: 1.755293053743104
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Energy: 2.0859104018851005
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Energy: 1.8181578781777132
Energy: 1.5935301620567333
Energy: 1.6740917109808864
Energy: 1.82647268903987
Energy: 1.926879645786185
Energy: 1.7981135612705923
Energy: 1.5936549855365008
Energy: 1.6184093868426683
Energy: 1.6464324625433848
Energy: 1.7942580303163962
Energy: 1.62414351997509
Energy: 2.0272624775030423
Energy: 2.0915688683694533
Energy: 1.686804968875612
Energy: 1.6445550998575993
Energy: 1.6256507993072773
Energy: 2.0092217209256082
Energy: 2.0887242806505113
Energy: 1.810791767914441
Energy: 1.6670425506843853
Energy: 1.5947999227764453
Energy: 1.6809602400268708
Energy: 2.090089565385791
Energy: 1.8221950142082495
Energy: 1.6636286973427685
Energy: 1.581786938154879
Energy: 1.637643220410566
Energy: 2.0895041481051746
Energy: 1.5288293377257829
Energy: 1.5793838425341453
Energy: 1.7781265962568296
Energy: 1.6918208597526574
Energy: 1.5518298460099906
Energy: 1.5284018685931973
Energy: 1.5822409512659656
Energy: 1.7398316851746938
Energy: 1.6916581766994572
Energy: 1.5522886894231502
Energy: 1.7325659628356036
Energy: 1.7999115474675793
Energy: 1.7951755207882294
Energy: 2.5487132344715406
Energy: 2.255977654310439
Energy: 1.7354345638833428
Energy: 1.8142974043430316
Energy: 1.7950352111662706
Energy: 2.547613549577298
Energy: 1.8861749915922288
Energy: 1.5289717424521203
Energy: 1.5196759550488916
Energy: 1.5519816961662558
Energy: 1.8902872814128882
Energy: 1.6901760532285655
Energy: 1.5172537468797245
Energy: 1.5206701124904438
Energy: 1.552150210817615
Energy: 1.890396046166627
Energy: 1.6574339633117054
Energy: 1.8189998921408583
Energy: 1.6780453837872678
Energy: 1.9537169560932333
Energy: 1.86505399156842
Energy: 1.6297073665576356
Energy: 1.6635202233501238
Energy: 1.7007005034507814
Energy: 1.9585512027037717
Energy: 1.6174520540668302
Energy: 1.63019284817076
Energy: 2.005334400387427
Energy: 1.8533199098922264
Energy: 1.8882527067890755
Energy: 1.9179773780073854
Energy: 1.823846560828167
Energy: 2.0036848385109014
Energy: 1.7736561225822518
Energy: 1.887089223937628
Energy: 1.9571877725365616
Energy: 1.9211788433526609

minimum gb energy = 1.5045085349532883 eV
minimum distance =  2.46265436401715 Angstroms
sigma value = 293


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

Energy: 1.3462743327001
Energy: 1.371686305977068
Energy: 1.8919159621242603
Energy: 1.8806607006760008
Energy: 1.3477293335434861
Energy: 1.3479306455779911
Energy: 1.6880331620319426
Energy: 1.8771597650435203
Energy: 1.9166852568894985
Energy: 1.3482291687310943
Energy: 1.7256394686763374
Energy: 1.710256607712467
Energy: 1.3707008595394772
Energy: 1.634241210727916
Energy: 1.9226588569380234
Energy: 1.8188355580336928
Energy: 1.710943588077969
Energy: 1.6587006011261312
Energy: 1.883710628745584
Energy: 1.893498259925653
Energy: 1.3720476295079602
Energy: 1.6382310371904145
Energy: 1.6221433494971509
Energy: 1.6249938096061747
Energy: 1.7002484537194151
Energy: 1.6382644359265026
Energy: 1.6627128969334095
Energy: 1.6225889611088427
Energy: 1.878159774883363
Energy: 1.9192432606912142
Energy: 1.8747517117174801
Energy: 1.3479443962602784
Energy: 1.3474220313089402
Energy: 1.3717408328080696
Energy: 1.5274423848321173
Energy: 1.875586941298438
Energy: 1.34814042919304
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Energy: 1.3738761890788185
Energy: 1.3580799972228697
Energy: 1.9176292044474457
Energy: 1.3476726649684552
Energy: 1.347532602041005
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Energy: 1.6245407478117613
Energy: 2.0061620194850085
Energy: 1.3475319200541607
Energy: 1.3478495606601522
Energy: 1.3720541222409814
Energy: 1.8733524938738155
Energy: 1.9208728516760425
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Energy: 1.7838176036072075
Energy: 1.6631078674452584
Energy: 1.6583640138943094
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Energy: 1.3706373813844563
Energy: 1.4020400985885475
Energy: 1.727146907606875
Energy: 1.3611057977261294
Energy: 1.6680847440322535
Energy: 1.668104380620988
Energy: 1.8511333375220642
Energy: 1.7272715485766499
Energy: 1.3590427412070978
Energy: 1.6693667915855799
Energy: 1.6638005609260471
Energy: 1.9105787451071805
Energy: 1.833281500369132
Energy: 1.6997477522198348
Energy: 1.6246098285114232
Energy: 1.3474470870685227
Energy: 1.3477398033321366
Energy: 1.7246530913685283
Energy: 1.7530958670860124
Energy: 1.3725108413997469
Energy: 1.3472611735658098
Energy: 1.3477946521624897
Energy: 1.6220835065093755
Energy: 1.6213621548397048
Energy: 1.635494900650386
Energy: 1.3473898433598923
Energy: 1.7286858185327882
Energy: 1.6222588659626191
Energy: 1.6343797056986715
Energy: 1.6352217776568398
Energy: 1.3472884085318744
Energy: 1.8010741499283172
Energy: 1.7075409492209146
Energy: 1.3722482575054895
Energy: 1.7948716915737628
Energy: 1.8915339558942215
Energy: 1.6380397173982886
Energy: 1.709813771806842
Energy: 1.3716932140451519
Energy: 1.7526984163969612
Energy: 1.6743860589362842
Energy: 1.6626583530020898
Energy: 1.3482557042360162
Energy: 1.7523908641343113
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Energy: 1.8277778076829414
Energy: 1.3497976959627602
Energy: 1.754271516737917
Energy: 1.6227017687484366
Energy: 1.7267726419519638
Energy: 1.780338979490063
Energy: 1.3465540197077082
Energy: 1.737108391287725
Energy: 1.8913440272762194
Energy: 1.8804019550993158
Energy: 1.3480749926137099
Energy: 1.3481859125008668
Energy: 1.7377930714946839
Energy: 1.6251871222509324
Energy: 1.9176214358987267
Energy: 1.348017945944682
Energy: 1.725590534035739
Energy: 1.6227110921243812
Energy: 1.3700062342885664
Energy: 1.6346912885112175
Energy: 1.9230698724819082
Energy: 1.7261974601650472
Energy: 1.71091926580312
Energy: 1.658525690249891
Energy: 1.9220938104858207
Energy: 1.9445182936652297
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Energy: 1.6630582030953633
Energy: 1.6224805555015358
Energy: 1.6245418961564382
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Energy: 1.6624488744090473
Energy: 1.6218995866530117
Energy: 1.876012138477518
Energy: 1.6994594377750474
Energy: 1.8748767493006642
Energy: 1.3476429737331619
Energy: 1.3475568451043332
Energy: 1.3718136391418558
Energy: 1.87672174492641
Energy: 1.8756607418117044
Energy: 1.3477926765207282
Energy: 1.3477199609771606
Energy: 1.3755184968670922
Energy: 1.699399249243381
Energy: 1.971050569177876
Energy: 1.3476861247517224
Energy: 1.3479775977186383
Energy: 1.7186066600833465
Energy: 1.6224641513317788
Energy: 2.005137957397863
Energy: 1.3475094856066296
Energy: 1.3476785830079616
Energy: 1.7190305322266208
Energy: 1.8733521570491674
Energy: 1.921443658091689
Energy: 1.8924435983055345
Energy: 1.7850036337224642
Energy: 1.6653618718521648
Energy: 1.6581285374973955
Energy: 1.922157979738355
Energy: 1.8771907411942816
Energy: 1.6690436166094547
Energy: 1.7408438580834178
Energy: 1.40327496250538
Energy: 1.7267812446022381
Energy: 1.3614158649860852
Energy: 1.666886049147604
Energy: 1.6389537631668496
Energy: 1.851110462843217
Energy: 1.7268504102249698
Energy: 1.3587422013362787
Energy: 1.6669429046208581
Energy: 1.6643576928492894
Energy: 1.8508421852471622
Energy: 1.8333908919584723
Energy: 1.7536637772532533
Energy: 1.6251391298184343
Energy: 1.3473888058278782
Energy: 1.3476069022120463
Energy: 1.7248248234196744
Energy: 1.7548883464597211
Energy: 1.3724715568373296
Energy: 1.347161974917497
Energy: 1.347769435977543
Energy: 1.622339799171187
Energy: 1.620970871441604
Energy: 1.6366031832053245
Energy: 1.347980603884427
Energy: 1.8258536726978363
Energy: 1.6226248202467672
Energy: 1.6338522483423141
Energy: 1.6365039693492065
Energy: 1.3485196751940487
Energy: 1.6235396556071993
Energy: 1.7102287836750723
Energy: 1.3721416808775997
Energy: 1.7944989339055282
Energy: 1.7248264165904776
Energy: 1.670866766440785
Energy: 1.7113161698554809
Energy: 1.3707938122164216
Energy: 1.7942922038262208
Energy: 1.6746206179559904
Energy: 1.6629951746029077
Energy: 1.3483088362497728
Energy: 1.7524034055649362
Energy: 1.4786761317508068
Energy: 1.7271536514298516
Energy: 1.8268349960229422
Energy: 1.3477690275376148
Energy: 1.7531614682797232
Energy: 1.6229133577840316
Energy: 1.726973261730247
Energy: 1.7814170199840018

minimum gb energy = 1.3462743327001 eV
minimum distance =  2.48910345307504 Angstroms
sigma value = 15


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

Energy: 2.45215988399256
Energy: 2.032198761919866
Energy: 2.0367607612391843
Energy: 1.9487098734182668
Energy: 2.0060591880268444
Energy: 2.391261261628254
Energy: 2.0832208749083954
Energy: 1.9652065769442388
Energy: 1.9466102365856326
Energy: 2.1976685916694962
Energy: 1.903475466683208
Energy: 1.76527750828924
Energy: 1.534712876853873
Energy: 1.5198625670874655
Energy: 1.9111220944281018
Energy: 1.7861930120133738
Energy: 1.8270841873789911
Energy: 1.523396165298458
Energy: 1.8045426385308199
Energy: 1.936194093811313
Energy: 1.8182130913135286
Energy: 1.769392908986368
Energy: 1.7260039551877693
Energy: 1.7188931022462695
Energy: 1.6825776447732907
Energy: 1.833657570908031
Energy: 1.7611955086284141
Energy: 1.759514435430413
Energy: 1.7148591904839166
Energy: 1.6428836386082417
Energy: 1.8759984019868192
Energy: 1.8907638376819995
Energy: 1.915914950589661
Energy: 1.8315817109612909
Energy: 1.6489530337017222
Energy: 1.8728668695520585
Energy: 1.8221371262343438
Energy: 2.1988943011711566
Energy: 1.8339422709289663
Energy: 1.6387955671156333
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Energy: 1.9760996147456629
Energy: 1.8682897191308796
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Energy: 1.9521629513855216
Energy: 2.0052262433284644
Energy: 1.9271725859311726
Energy: 2.0402992730648037
Energy: 1.8914113703832098
Energy: 1.9743396824486947
Energy: 1.949241657634871
Energy: 1.5203274386842347
Energy: 1.7743191609922682
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Energy: 1.83790395646827
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Energy: 1.489081394994201
Energy: 1.7880805420233035
Energy: 1.9206419037776266
Energy: 1.8369688156811934
Energy: 1.6292844245523785
Energy: 1.4839077282091573
Energy: 1.6623362073739942
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Energy: 1.6312689199510257
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Energy: 1.8702459150061612
Energy: 1.9516865722026249
Energy: 1.8290881128323009
Energy: 1.552927422550849
Energy: 1.7179040910509484
Energy: 2.0676553708416665
Energy: 1.9710974111766193
Energy: 1.7963372611970412
Energy: 1.5420775072451762
Energy: 1.6771762377175203
Energy: 2.171072547160208
Energy: 1.9395484160436645
Energy: 1.724186840697508
Energy: 1.838701549758017
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Energy: 2.0507142652761123
Energy: 1.9379334502592405
Energy: 1.9432952052577006
Energy: 1.839210177512796
Energy: 1.9516345590135253
Energy: 2.0494226420266783
Energy: 1.8998831591858185
Energy: 1.9161806833380466
Energy: 1.6605260984470154
Energy: 1.6434159020827341
Energy: 1.506147574416021
Energy: 1.6634311673728628
Energy: 1.933586034762071
Energy: 1.7813662987040184
Energy: 1.63559298224596
Energy: 1.504773878111222
Energy: 1.6718391000652686
Energy: 1.9367834857097734
Energy: 1.8777956003847007
Energy: 1.6418503612845825
Energy: 1.5151526212091966
Energy: 1.7412963523961777
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Energy: 1.8404829464580568
Energy: 1.6430324520821333
Energy: 1.5120318707104252
Energy: 1.8085322491700697
Energy: 1.6431810092997794
Energy: 1.7751199784695624
Energy: 1.834499017769032
Energy: 1.6084028479855899
Energy: 1.926937571417499
Energy: 1.6435359999766033
Energy: 1.952519828342959
Energy: 1.74615524279752
Energy: 1.663928740142014
Energy: 1.934836780803379
Energy: 1.9030334662105302
Energy: 1.8974465582376436
Energy: 1.9520026427623325
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Energy: 1.9991224767862827
Energy: 1.9398430500266524
Energy: 1.9462919051883008
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Energy: 2.1788429901380426
Energy: 2.006412778424454
Energy: 1.4966546770093356
Energy: 1.8661926970651654
Energy: 1.8224291913042465
Energy: 1.8874126397981832
Energy: 1.7750000563156505
Energy: 1.4993060647056633
Energy: 1.8640318772096218
Energy: 2.09898230659978
Energy: 1.8037067842682888
Energy: 1.7505355004145768
Energy: 1.644229207500895
Energy: 1.7671483710508602
Energy: 1.7917157564877433
Energy: 1.7525053899905456
Energy: 1.7612709880962438
Energy: 1.6628419378127417
Energy: 1.7404290596395118
Energy: 1.7873165175098216
Energy: 1.755812719771668
Energy: 1.8322844275035133
Energy: 1.948501579254167
Energy: 1.809444137465608
Energy: 1.7225655456338915
Energy: 1.9410783473986624
Energy: 1.8637122570821172
Energy: 1.942676376476211
Energy: 1.7881806794514425
Energy: 1.7280165033244557
Energy: 1.991921687226892
Energy: 1.873276834810331
Energy: 1.893834215550369
Energy: 1.924088663903658
Energy: 2.0292927846041358
Energy: 2.066605384360358
Energy: 2.1274416228321607
Energy: 1.8060299807261706
Energy: 1.9238728010214892
Energy: 2.055038734891669
Energy: 2.058643126347565
Energy: 2.1265294113097575
Energy: 1.8108205096515837
Energy: 1.9011245972627302
Energy: 1.836832895425128
Energy: 1.609855563668825
Energy: 1.6428334405284941
Energy: 1.7773225280311395
Energy: 1.8492860098926363
Energy: 1.883616142090968
Energy: 1.6102409226796166
Energy: 1.6524860390843872
Energy: 1.7365831741860598
Energy: 1.9981185084535296
Energy: 1.8331449880233452
Energy: 1.5099108399264956
Energy: 1.5442438669892335
Energy: 1.7362870379090671
Energy: 2.061582775595594
Energy: 1.8179606030142443
Energy: 1.4939844475589799
Energy: 1.5537531490615575
Energy: 1.9239922692679838
Energy: 2.1527169368790675
Energy: 1.720369470598918
Energy: 1.5643543060767677
Energy: 1.542573568922689
Energy: 1.9488337242710072
Energy: 2.113218356783298
Energy: 1.7461544122319363
Energy: 1.5154288060955432
Energy: 1.5297973373694167
Energy: 1.792599319487815
Energy: 1.8492692951080152
Energy: 2.0092801568297536
Energy: 1.6748090976551064
Energy: 1.9702220294447115
Energy: 1.9511496193322346
Energy: 1.860600673847401
Energy: 1.9276191628655721
Energy: 1.8719908736291582
Energy: 1.986764211344216
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Energy: 1.8420802056645096
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Energy: 2.0008902953041314
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Energy: 2.065233055203752
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Energy: 1.8749681585049416
Energy: 1.8732684013595808
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Energy: 1.5622019270290974
Energy: 1.687264312627834
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Energy: 1.8749680836131866
Energy: 1.6785122985116674
Energy: 1.524987082034562
Energy: 1.69530947513294
Energy: 1.9601096180971092
Energy: 1.8863866756342085
Energy: 1.6406229976109894
Energy: 1.5070237842860128
Energy: 1.6692309766193325
Energy: 1.954297512847541
Energy: 1.8936508516283517
Energy: 1.6429704474482218
Energy: 1.5126694122549256
Energy: 1.7527089147121493
Energy: 1.6440570949975002
Energy: 2.0078299006830047
Energy: 1.7089122147988363
Energy: 1.4970162167069503
Energy: 1.9398139157609944
Energy: 1.6446474096338994
Energy: 1.908097618183039
Energy: 1.7263210996815874
Energy: 1.4991772674811659
Energy: 1.7066371759792258
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Energy: 2.0277940500927065
Energy: 1.9202304889065593
Energy: 2.056588073405949
Energy: 1.9235495845707022
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Energy: 1.986824269473872
Energy: 1.5010513231087084
Energy: 1.8340651060593371
Energy: 2.2209615786901757
Energy: 1.895571008121927
Energy: 1.7363981663759382
Energy: 1.5017414102405735
Energy: 1.8623261758536314
Energy: 2.100187922299294
Energy: 1.8305297552955557
Energy: 1.7289404397530517
Energy: 1.646206511349369
Energy: 1.7625812870891255
Energy: 1.78788817003667
Energy: 1.7491125434883754
Energy: 1.81351526372179
Energy: 1.6563008105368706
Energy: 1.7502931283973844
Energy: 1.815076033647073
Energy: 1.722932741067427
Energy: 1.7339895400981247
Energy: 1.974871974115152
Energy: 1.780786885025655
Energy: 1.678493200343932
Energy: 1.932604638604686
Energy: 1.7611018542076644
Energy: 1.9570470847848769
Energy: 1.7633218903562042
Energy: 1.7455793276537646
Energy: 1.9398481272860228
Energy: 1.8832589574159844
Energy: 1.8789440004311826
Energy: 1.9340468060484466
Energy: 1.9930223736090975
Energy: 2.0804979793564646
Energy: 2.1244462273579297
Energy: 2.0257936659593283
Energy: 1.9530662416373963
Energy: 2.02091365334691
Energy: 2.0734944749497553
Energy: 2.123795546773205
Energy: 1.8016758334765501
Energy: 1.89617015481317
Energy: 1.8359285284236362
Energy: 2.013421980189992
Energy: 1.6509597780841638
Energy: 1.8306701150179032
Energy: 1.8929437724339935
Energy: 1.8442331099584575
Energy: 2.018513228808092
Energy: 1.7103568335493118
Energy: 1.6955890701964837
Energy: 1.9698388784244674
Energy: 1.8326678065303534
Energy: 1.5142438867651191
Energy: 1.5348636235667539
Energy: 1.7521521834601965
Energy: 2.0231515483871605
Energy: 1.8260166887361833
Energy: 1.5025097599721207
Energy: 1.5528639245599323
Energy: 1.862129368126343
Energy: 2.121583834825093
Energy: 1.8003318907080437
Energy: 1.520154075865953
Energy: 1.536953159804224
Energy: 1.8823418809799302
Energy: 2.1202057592235635
Energy: 1.7082333539508452
Energy: 1.5225924984476746
Energy: 1.5495185345545819
Energy: 1.90366929287135
Energy: 2.0630827036205215
Energy: 1.938900841999308
Energy: 1.8263053168979662
Energy: 1.9320494854971868
Energy: 1.9149663250804168
Energy: 2.066999179361111
Energy: 1.915279011444399
Energy: 1.7687719282031957
Energy: 1.95333613767886
Energy: 1.5715084110157913
Energy: 1.711006939412566
Energy: 1.7607535681394655
Energy: 1.8360384777291086
Energy: 1.727676061728402
Energy: 1.589145503994514
Energy: 1.6777605744689175
Energy: 1.7656281413283135
Energy: 1.8355901160497003
Energy: 1.658192669886841
Energy: 1.5876430059782696
Energy: 1.5011077032535076
Energy: 1.8080355361161984
Energy: 2.0313069146651213
Energy: 1.6694223506453079
Energy: 1.530001334717237
Energy: 1.5326708380606622
Energy: 1.8117388750717762
Energy: 1.9974313897437015
Energy: 1.6721705636048045
Energy: 1.6218096512415168
Energy: 1.6725998926614087
Energy: 1.6558046957637043
Energy: 1.6669501455952225
Energy: 1.7697774150670347
Energy: 1.6065109774357675
Energy: 1.7444076588438857
Energy: 1.6511531082010686
Energy: 1.7460406184400343
Energy: 1.7854523284898758
Energy: 2.4533765347672896
Energy: 2.015652550879496
Energy: 2.0150775656663473
Energy: 1.9413210334359043
Energy: 2.0138554580774684
Energy: 2.393109678152284
Energy: 1.9744925168336807
Energy: 2.031236969016671
Energy: 1.9579855329589224
Energy: 1.987985116444419

minimum gb energy = 1.4810324966017094 eV
minimum distance =  2.47617911611489 Angstroms
sigma value = 437


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

Energy: 1.901766111686936
Energy: 2.1608692213167258
Energy: 2.0456114430052637
Energy: 1.9397020795430784
Energy: 2.128664654905146
Energy: 1.9033088737150607
Energy: 2.1606031769264984
Energy: 2.0446982823411695
Energy: 1.9097904197131796
Energy: 2.231153582864686
Energy: 1.6704982234065724
Energy: 1.8461548769642238
Energy: 1.675415531912614
Energy: 1.7219369827950326
Energy: 1.678236175905788
Energy: 1.631107681828262
Energy: 1.8556259378677271
Energy: 1.6496881058434119
Energy: 1.8871444794794143
Energy: 1.6647075516313223
Energy: 1.578411348520359
Energy: 1.5226397767900792
Energy: 1.879680509377549
Energy: 1.6717126922892376
Energy: 1.5136309438775932
Energy: 1.5776426750044708
Energy: 1.561843822727397
Energy: 1.877190997378519
Energy: 1.657746174801663
Energy: 1.5226549537630278
Energy: 1.557184716341737
Energy: 1.7036092381770516
Energy: 2.0834112336264217
Energy: 1.7848300156184007
Energy: 1.5375632097014316
Energy: 1.5643443307177658
Energy: 1.8155689363431717
Energy: 2.10253747775716
Energy: 1.7281629044892264
Energy: 1.537024883194565
Energy: 1.9981845981865334
Energy: 1.94564147441378
Energy: 1.8342667383940048
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Energy: 1.7477137572531614
Energy: 1.8509625182526686
Energy: 1.94464803950014
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Energy: 1.7366989934614667
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Energy: 1.6424847639889821
Energy: 1.7902381552031925
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Energy: 1.9051307584593697
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Energy: 1.8383112507532546
Energy: 1.904747845582765
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Energy: 1.5536149877193197
Energy: 1.5589987035483648
Energy: 1.8478320900143401
Energy: 1.8441368996945393
Energy: 1.5918419583134888
Energy: 1.5563503771987481
Energy: 1.5565040697739305
Energy: 1.8607556794722342
Energy: 1.8473001994303615
Energy: 1.5627596902688725
Energy: 1.608699878177122
Energy: 1.5454464047369298
Energy: 1.7985062939600172
Energy: 1.8216834014101484
Energy: 1.5606864329209742
Energy: 1.6379576903615969
Energy: 1.5814554639367657
Energy: 1.7860615687179824
Energy: 1.8292479904343255
Energy: 1.8465267898100257
Energy: 2.1867662359342934
Energy: 1.982029878747304
Energy: 1.9718222839179977
Energy: 1.8129420835653531
Energy: 1.8353398650318051
Energy: 2.163107869088906
Energy: 1.9784320017342576
Energy: 1.9560851019611956
Energy: 1.758271756158903
Energy: 1.9822714572845759
Energy: 1.924522061873998
Energy: 1.9413537964667715
Energy: 1.8886915034003326
Energy: 1.9475652372672165
Energy: 1.9316090852883243
Energy: 1.9214420351388
Energy: 1.8064584701298336
Energy: 1.987183143488662
Energy: 1.9269622423251356
Energy: 1.421076122782767
Energy: 1.6111920446996406
Energy: 1.6767526743441574
Energy: 2.006462173577212
Energy: 1.9189571564149106
Energy: 1.4191118432708156
Energy: 1.5886744147766096
Energy: 1.664528723485518
Energy: 1.9154585330397227
Energy: 1.7614072647249441
Energy: 1.4209246990020257
Energy: 1.4322441360743543
Energy: 1.531311118321099
Energy: 2.0202410710478853
Energy: 1.6297041489695503
Energy: 1.4203463214578922
Energy: 1.4207829888535333
Energy: 1.740907490083066
Energy: 2.0221072687399033
Energy: 1.5870258386315286
Energy: 1.5023485412558064
Energy: 1.427654431145403
Energy: 1.8058511190391093
Energy: 1.8173103964713515
Energy: 1.6660603031650456
Energy: 1.5116801486677567
Energy: 1.4280895548338512
Energy: 1.7719488766717881
Energy: 1.8476382418973636
Energy: 1.6649943348326588
Energy: 2.4507007051581264
Energy: 2.1787192274630414
Energy: 2.077082313961024
Energy: 1.9281122538329285
Energy: 1.4821225964340943
Energy: 2.4508078756131053
Energy: 2.1111097862221064
Energy: 2.03991147765322
Energy: 1.929322653623915
Energy: 1.5979878155826805

minimum gb energy = 1.4191118432708156 eV
minimum distance =  2.48733192420239 Angstroms
sigma value = 33