Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098542809487
cohesive_energy=4.242432871546096
mass=55.845
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=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.0233378980017797e-19, 4.40391893564214e-19, 4.7321889061823995e-19, 5.01901056720108e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.01855258555021258
Energy: 0.024104569192334956
Energy: 0.11136270835694152
Energy: 0.11072862058490025
Energy: 0.023203726060786297
Energy: 0.019906052228177294
Energy: 0.1080981932289088
Energy: 0.11217365440992552
Energy: 0.1099162714298592
Energy: 0.02250434277878156
Energy: 0.030024354719490234
Energy: 0.11608212741479638
Energy: 0.1103539595554702
Energy: 0.11319817414423629
Energy: 0.11179254926118995
Energy: 0.10906125296876815
Energy: 0.1155737467744237
Energy: 0.10805876040228247
Energy: 0.11367493013857544
Energy: 0.11089927831345733
Energy: 0.11094401095267442
Energy: 0.02538434560228569
Energy: 0.019038720553917844
Energy: 0.10885732796952861
Energy: 0.11016211846960014
Energy: 0.11019181016410717
Energy: 0.024311632529012334
Energy: 0.018987201356739293
Energy: 0.1088255007044083
Energy: 0.11127174554412463
Energy: 0.11173979210407374
Energy: 0.020339843197239374
Energy: 0.020012832186569164
Energy: 0.11417067591014297
Energy: 0.10925600947358402
Energy: 0.11077875944105448
Energy: 0.020115930789953645
Energy: 0.019481543704784315
Energy: 0.11236444582704692
Energy: 0.10916948720991768
Energy: 0.1112624405764148
Energy: 0.10998531987778909
Energy: 0.1122727321518503
Energy: 0.026263003045538608
Energy: 0.019948217060841728
Energy: 0.11042953732109693
Energy: 0.1101841928043838
Energy: 0.11170857384731953
Energy: 0.02491042681935436
Energy: 0.11452637567330949
Energy: 0.11179861510541936
Energy: 0.10892105221191378
Energy: 0.10990698676445193
Energy: 0.019508670403289848
Energy: 0.02785159638405616
Energy: 0.11291939992097065
Energy: 0.1080553119265545
Energy: 0.11026730544048924
Energy: 0.02008387968543688
Energy: 0.01962589106679955
Energy: 0.028465081967990555
Energy: 0.11275035497977275
Energy: 0.11146026448585068
Energy: 0.10860687209349631
Energy: 0.11401917982981442
Energy: 0.026896050838756572
Energy: 0.11406057060898614
Energy: 0.11100387435851182
Energy: 0.10926169999663754
Energy: 0.11310238615344287

minimum gb energy = 0.01855258555021258 eV
minimum distance =  2.51020223335621 Angstroms
sigma value = 3


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

Energy: 0.624081900221673
Energy: 0.6196524190903853
Energy: 0.5617469983168604
Energy: 0.5606438817851087
Energy: 0.6203896423581767
Energy: 0.5977252360229323
Energy: 0.5631410051311221
Energy: 0.5623069565061761
Energy: 0.5606751810351408
Energy: 0.6215357458115391
Energy: 0.48423401432471475
Energy: 0.7734454875039263
Energy: 0.5635154857070954
Energy: 0.5632053475644054
Energy: 0.7834360331305271
Energy: 0.5582858302823587
Energy: 0.7051732825183535
Energy: 0.5642472283252051
Energy: 0.5629564022793174
Energy: 0.7828784507799975
Energy: 0.562480772687464
Energy: 0.6174743515922129
Energy: 0.7526030679055677
Energy: 0.5639885728543552
Energy: 0.5625151753508953
Energy: 0.5629812132144296
Energy: 0.7526465057657779
Energy: 0.7519006528083054
Energy: 0.5633843238103244
Energy: 0.7761960006311527
Energy: 0.563628696061626
Energy: 0.7003126767466741
Energy: 0.7546624106241302
Energy: 0.5630963892117681
Energy: 0.7787663940420114
Energy: 0.5644760781892051
Energy: 0.7012752890389777
Energy: 0.7542547107286264
Energy: 0.5625575096852709
Energy: 0.5626584389174504
Energy: 0.764686612723448
Energy: 0.6269600396826134
Energy: 0.6311778793471312
Energy: 0.7644109449037602
Energy: 0.7608970942116277
Energy: 0.7634391532887483
Energy: 0.7864542471945705
Energy: 0.6308550409197096
Energy: 0.7671674786839968
Energy: 0.6312829498913144
Energy: 0.6174788033511767
Energy: 0.6194614078659215
Energy: 0.6301247379652685
Energy: 0.5615113709283954
Energy: 0.7617286420672548
Energy: 0.6181216230428801
Energy: 0.6187271646807528
Energy: 0.6303498997471103
Energy: 0.7800418182365106
Energy: 0.7626983189585173
Energy: 0.7729992296619596
Energy: 0.7083145720867156
Energy: 0.7775767496748754
Energy: 0.70408429305992
Energy: 0.5650426301730259
Energy: 0.7782738547717836
Energy: 0.7072782824703886
Energy: 0.5619169703867933
Energy: 0.563318328125985
Energy: 0.5641617990323852
Energy: 0.5648169952458706
Energy: 0.5622577179220771
Energy: 0.6135506772920369
Energy: 0.6140666696380502
Energy: 0.5626146900416944
Energy: 0.5616421750905587
Energy: 0.5631624227089609
Energy: 0.606864644032034
Energy: 0.6216270969920376
Energy: 0.5625466613103334
Energy: 0.7795129463979749
Energy: 0.5653771057756407
Energy: 0.558449451818019
Energy: 0.9250784037873414
Energy: 0.5588672642248702
Energy: 0.5610780539180785
Energy: 0.504899192403775
Energy: 0.4879718188041172
Energy: 0.9249404915844772
Energy: 0.5625862770921588
Energy: 0.7523871035389825
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Energy: 0.5619143736186835
Energy: 0.560100836232194
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Energy: 0.5592238821389438
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Energy: 0.5616301589528917
Energy: 0.5592207538266776
Energy: 0.5471898392973162
Energy: 0.7001336726012807
Energy: 0.5613373575781244
Energy: 0.5628178923057066
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Energy: 0.6979781214670617
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Energy: 0.7648513589347441
Energy: 0.786765474816518
Energy: 0.7716720705370498
Energy: 0.63174665142435
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Energy: 0.5596512259281571
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Energy: 0.5643889877926139
Energy: 0.558665880104674
Energy: 0.6313730062682091
Energy: 0.7636368534092097
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Energy: 0.6180215927155502
Energy: 0.7611231516848711
Energy: 0.7611088558668878
Energy: 0.6292025509614885
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Energy: 0.6178264766513433
Energy: 0.557980725500461
Energy: 0.5607315610392704
Energy: 0.5652891035316973
Energy: 0.5619186523070083
Energy: 0.7710016413054869
Energy: 0.5579966867422541
Energy: 0.5636255465037511
Energy: 0.5666472393673776
Energy: 0.7199333254962988
Energy: 0.924001904977449
Energy: 0.5959061055128556
Energy: 0.5584424587695042
Energy: 0.562297812669655
Energy: 0.5601077175551323
Energy: 0.6203138414680671
Energy: 0.595799252233043
Energy: 0.5630967440982211
Energy: 0.5626453921593726
Energy: 0.5604622313292283
Energy: 0.62040077954543
Energy: 0.48403005281277495
Energy: 0.7010814152672614
Energy: 0.5633743121924569
Energy: 0.5628913997927324
Energy: 0.7839815589944493
Energy: 0.4843495119249193
Energy: 0.703205594136088
Energy: 0.5633866692703883
Energy: 0.5627195017266029
Energy: 0.561856021849885
Energy: 0.5624684613531017
Energy: 0.7534627821767915
Energy: 0.5510041242277878
Energy: 0.5642660034161395
Energy: 0.5624096878043507
Energy: 0.5630964926731418
Energy: 0.7519698223782851
Energy: 0.7495715877300726
Energy: 0.5637683296362179
Energy: 0.777630409959606
Energy: 0.563064833546225
Energy: 0.5490663222885763
Energy: 0.7530712472608965
Energy: 0.5634311046412945
Energy: 0.48299924375741926
Energy: 0.5638438348898218
Energy: 0.5490468000231767
Energy: 0.7529759146140771
Energy: 0.5627374896523931
Energy: 0.48357481139487674
Energy: 0.6284921903961267
Energy: 0.7802479362717336
Energy: 0.6313179899544261
Energy: 0.7649998362722799
Energy: 0.5580444196736446
Energy: 0.6275377027797776
Energy: 0.7809645380612326
Energy: 0.6315788953299077
Energy: 0.5663474602486837
Energy: 0.5584979549783381
Energy: 0.6176695539464789
Energy: 0.6197504814303703
Energy: 0.629809055304844
Energy: 0.561238270058487
Energy: 0.6305676385284767
Energy: 0.6179504623371282
Energy: 0.6192904623577651
Energy: 0.6296240549796261
Energy: 0.5523562396090402
Energy: 0.6291870372036833
Energy: 0.7098129909381952
Energy: 0.7095565764728651
Energy: 0.5620172198593664
Energy: 0.7052081155238136
Energy: 0.6273214200413874
Energy: 0.7098588291387644
Energy: 0.5635833732918436
Energy: 0.5612220448996323
Energy: 0.5640862398525589
Energy: 0.5649957571915573
Energy: 0.5636459639285476
Energy: 0.562377484112839
Energy: 0.885298706927358
Energy: 0.8879998005779056
Energy: 0.5624932409376764
Energy: 0.5620500000654354
Energy: 0.5628126960667531
Energy: 0.8847734560788986
Energy: 0.8916545921472484
Energy: 0.5621683127385341
Energy: 0.7774620015758665
Energy: 0.5648256911976904
Energy: 0.4839222540189877
Energy: 0.891677686246996
Energy: 0.5628794039216974
Energy: 0.5625683775252852
Energy: 0.564752497638172
Energy: 0.4852421009291834
Energy: 0.9247436216842531
Energy: 0.5625157261756751
Energy: 0.559047457548797
Energy: 0.5625526225997822
Energy: 0.5617046683416206
Energy: 0.5616839018825521
Energy: 0.5500505766383966
Energy: 0.5597533328329608
Energy: 0.5625569512206166
Energy: 0.5615087994279301
Energy: 0.5632991699618303
Energy: 0.5464156089899804
Energy: 0.697765543878272
Energy: 0.5608927944959065
Energy: 0.5619998005741279
Energy: 0.5619761948528531
Energy: 0.562175982736243
Energy: 0.5631980768760615
Energy: 0.5607171001653645
Energy: 0.5613104616347534
Energy: 0.5599236950804355
Energy: 0.547033966163612
Energy: 0.7665741498775441
Energy: 0.7236059734531629
Energy: 0.7743525470471502
Energy: 0.5631481814804318
Energy: 0.5587487588199249
Energy: 0.7648439098792623
Energy: 0.5602154525944161
Energy: 0.6304680512090305
Energy: 0.5634025900569176
Energy: 0.5582420488785064
Energy: 0.6309505281237774
Energy: 0.5517039248475567
Energy: 0.6296622529144288
Energy: 0.6195454811296245
Energy: 0.6181341370048546
Energy: 0.7605075119641667
Energy: 0.7590442825795176
Energy: 0.6296191558313847
Energy: 0.6198119026445231
Energy: 0.6179220823235636
Energy: 0.5576663326247566
Energy: 0.5620011513751982
Energy: 0.5666866911502577
Energy: 0.7222348178012578
Energy: 0.7685394911114083
Energy: 0.5580220223015901
Energy: 0.5634649421223341
Energy: 0.568975958603625
Energy: 0.7217477869666367
Energy: 0.7696548683675875
Energy: 0.6077736694628422
Energy: 0.5586809080407303
Energy: 0.5605432962172178
Energy: 0.5624579036171413
Energy: 0.6200397864441072
Energy: 0.6217078544099319
Energy: 0.5610281495063684
Energy: 0.5624740559416052
Energy: 0.5607657725242883
Energy: 0.6205655609059426

minimum gb energy = 0.48299924375741926 eV
minimum distance =  2.42610456818305 Angstroms
sigma value = 75


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

Energy: 2.0051036637139736
Energy: 0.881867223847046
Energy: 0.5263701912616718
Energy: 0.8004252950613001
Energy: 0.8530631583644892
Energy: 0.8577055312342273
Energy: 0.8239001447716563
Energy: 0.5334734160222753
Energy: 0.16813838070097345
Energy: 0.8932701491637925
Energy: 0.8557764959388484
Energy: 0.8474451309041152
Energy: 0.5332489556958523
Energy: 0.5326969826128176
Energy: 0.5396751085824735
Energy: 0.819068651108199
Energy: 0.893959418414146
Energy: 0.7082601701087455
Energy: 0.6332456264192966
Energy: 0.8430678105957172
Energy: 0.8469015814465418
Energy: 0.8632012377787317
Energy: 0.8663185511160645
Energy: 0.8534288868271992
Energy: 0.7690756279773777
Energy: 0.73950325394923
Energy: 0.8630700458731709
Energy: 0.8688059073683129
Energy: 0.80810704114085
Energy: 0.7621897991765988
Energy: 0.7576936828828968
Energy: 0.8407085647103045
Energy: 0.9796591987150469
Energy: 0.8032192436047086
Energy: 0.7635900916915911
Energy: 0.8236727900867232
Energy: 0.7028457100419018
Energy: 0.7635499500811949
Energy: 0.8292398412780333
Energy: 0.7656092814752951
Energy: 0.9934511168884123
Energy: 0.750499590833445
Energy: 0.7149470706367547
Energy: 0.7636988343575474
Energy: 0.9087708191271159
Energy: 0.9909589538010108
Energy: 0.7433852606131844
Energy: 0.8746239190885782
Energy: 0.8191219581140493
Energy: 0.9233871711617024
Energy: 0.8742230266880514
Energy: 0.8684650472355164
Energy: 0.9342175367959402
Energy: 0.8068512515726309
Energy: 0.8518861264730728
Energy: 0.8893169060624895
Energy: 0.8842959625506607
Energy: 0.9340430005002082
Energy: 0.8497706261218352
Energy: 0.9426877014607865
Energy: 0.8529501374612171
Energy: 0.6487579034010508
Energy: 0.9297744021053497
Energy: 0.8345360079014333
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Energy: 0.8158709835284077
Energy: 0.8884113348590129
Energy: 0.8802864866425074
Energy: 0.6860938375642777
Energy: 0.853522171256869
Energy: 0.7648593808259453
Energy: 0.8359750884323226
Energy: 0.827666131334468
Energy: 0.8640508269448126
Energy: 0.7960239459422431
Energy: 0.541374107522676
Energy: 0.7946609015425646
Energy: 0.8673344203440033
Energy: 0.8651741310436073
Energy: 0.8659904906867548
Energy: 0.7627270466677156
Energy: 0.8648071275258045
Energy: 0.8383161963204605
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Energy: 0.7881539319180411
Energy: 0.7699062601076971
Energy: 0.8006486192830562
Energy: 0.7510156184088709
Energy: 0.9435045804176991
Energy: 0.8791344663789784
Energy: 0.8829876739812964
Energy: 0.8746437876113573
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Energy: 0.9021690979440617
Energy: 0.8916090135307315
Energy: 0.8869769540115789
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Energy: 0.5393026255944402
Energy: 0.7090678860044476
Energy: 0.9062205778507681
Energy: 0.8906084992763463
Energy: 0.878336812013322
Energy: 0.8750610000076307
Energy: 0.5118288630406674
Energy: 0.9377710525936497
Energy: 0.8837724987130368
Energy: 0.8735569123358103
Energy: 0.8801506585017911
Energy: 0.8815653494563152
Energy: 0.9026595833645489
Energy: 0.8558247490994492
Energy: 0.6281286014511085
Energy: 0.7941052841635162
Energy: 0.8818912673095268
Energy: 0.9167045727205511
Energy: 0.8557886643401421
Energy: 0.8094832714153024
Energy: 0.9199617040406763
Energy: 0.8879230584641575
Energy: 0.9371867916658219
Energy: 0.8211220245209235
Energy: 0.7648846414999582
Energy: 0.8433799047432902
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Energy: 0.7619440946466023
Energy: 0.7615089547334376
Energy: 0.7647872350159328
Energy: 0.774653642954504
Energy: 0.8654711102771119
Energy: 0.7590309239686573
Energy: 0.5346115571117775
Energy: 0.827920805301912
Energy: 0.9529043325693493
Energy: 0.7810689679292927
Energy: 0.9529557141668524
Energy: 0.8186332884787068
Energy: 0.8161169621498746
Energy: 0.9509131233826918
Energy: 0.7135513062859141
Energy: 0.8944992405686835
Energy: 0.8965469149033716
Energy: 0.906204807961699
Energy: 0.8699862439940157
Energy: 0.8980994655203846
Energy: 0.9240464137644423
Energy: 0.9237001881402562
Energy: 0.8780537008716132
Energy: 0.8680470465228677
Energy: 0.8683900148454591
Energy: 0.919786336937816
Energy: 0.9344111749076238
Energy: 0.9113029893403404
Energy: 0.7208813784847657
Energy: 0.8766293334170211
Energy: 0.8893803657589682
Energy: 0.9085791601925749
Energy: 0.9181246250777215
Energy: 0.6880134490806088
Energy: 0.8691894116956579
Energy: 0.7970636429586507
Energy: 1.0002264699974204
Energy: 0.8865932263792131
Energy: 0.8116144662999635
Energy: 0.8752929592691445
Energy: 0.890612896884808
Energy: 0.9869261946555957
Energy: 0.8451763825739045
Energy: 0.8253164371712856
Energy: 0.9138380902062165
Energy: 0.7321648615374049
Energy: 0.8027589854267347
Energy: 0.7637292903964257
Energy: 0.7635826222258916
Energy: 0.8541166775730901
Energy: 0.8249636385904531
Energy: 0.8450302508854801
Energy: 0.760811201680066
Energy: 0.7635169708012919
Energy: 0.8223024488586621
Energy: 0.8870699987141073
Energy: 0.9179000776252485
Energy: 0.8761585319164416
Energy: 0.8493898996379927
Energy: 0.9632107859987504
Energy: 0.8560244843617271
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minimum gb energy = 0.16813838070097345 eV
minimum distance =  2.23409921359505 Angstroms
sigma value = 105


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

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Energy: 0.8694040774850317
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Energy: 0.6958139148279038
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Energy: 0.7923812645649239
Energy: 0.8688908145677322
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Energy: 0.9008902881030081
Energy: 0.8442433198809645
Energy: 0.8969392422714187
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Energy: 0.8936996749467827
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Energy: 0.843901028222376
Energy: 0.897296853794497
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Energy: 0.8855240129382084
Energy: 0.872966212247796
Energy: 0.8391310036144564
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Energy: 0.8908219842553137
Energy: 0.8152901160407795
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Energy: 0.7599729966552926
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Energy: 0.8269234104547598
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Energy: 0.8104796954383204
Energy: 0.9202103367217633
Energy: 0.9455040415848684
Energy: 0.9030136597989366
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Energy: 0.8840199141858922
Energy: 0.6056553723148471
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Energy: 0.8656039816586111
Energy: 0.8497879617654355
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Energy: 0.9259911830278014
Energy: 0.902108785878511
Energy: 0.8567058811300515
Energy: 0.8584124277077854
Energy: 0.8781818678040638
Energy: 0.8668777825024918
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Energy: 0.8585676305134835
Energy: 0.8314155163587824
Energy: 0.8663713132188998
Energy: 0.8098657393499386
Energy: 0.9130366271321816
Energy: 0.7794017647452622
Energy: 0.8078992576698578
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Energy: 0.8983542411667464
Energy: 0.7725435623623331
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Energy: 0.8636389689859095
Energy: 0.8794079949912257
Energy: 0.04623045245977969
Energy: 0.7677639425913334
Energy: 0.7581771447619956
Energy: 0.8794201160733761
Energy: 0.8789987934482871
Energy: 0.771348903126085
Energy: 0.7665776465563993
Energy: 0.7561847193100331
Energy: 0.8793036371856603
Energy: 0.8454723841689704
Energy: 0.8194818651608523
Energy: 0.7795666438508922
Energy: 0.7634082276152929
Energy: 0.8985456983967853
Energy: 0.8348093915019426
Energy: 0.8468994717988504
Energy: 0.6855745581243337
Energy: 0.7626839573423507
Energy: 0.9479557216169345
Energy: 0.8736598507383021
Energy: 0.7995095705432815
Energy: 0.7975104510025637
Energy: 0.7461932326241287
Energy: 0.8727337108183474
Energy: 0.8868133912994339
Energy: 0.7825519671934403
Energy: 0.7813353835599792
Energy: 0.9030784587573475
Energy: 0.18034282352065495
Energy: 0.8024902421241912
Energy: 0.7975169020455419
Energy: 0.7730467419671719
Energy: 0.7442737941755543
Energy: 0.6748401794489217
Energy: 0.7473627780985174
Energy: 0.7881837306461241
Energy: 0.7714435977319192
Energy: 0.7919406476613831
Energy: 0.7998628118659634
Energy: 0.7841244718968947
Energy: 0.7404499871168745
Energy: 0.8632209626528042
Energy: 0.8249178133037546
Energy: 0.75168369060483
Energy: 0.7574527842164652
Energy: 0.7416796202967862
Energy: 0.8687698098144577
Energy: 0.8616285422387218
Energy: 0.6993929295773347
Energy: 0.8827022326474798
Energy: 0.8765518391556127
Energy: 0.8354333145723186
Energy: 0.8099364435077712
Energy: 0.8195031015554152
Energy: 0.869787306533215
Energy: 0.8760835438798763
Energy: 0.8381639118833959
Energy: 0.8092184688004495
Energy: 0.8374002047391675
Energy: 0.7742590401235274
Energy: 0.7650608378883055
Energy: 0.6558116523412586
Energy: 0.6906836158736894
Energy: 0.8279922124038677
Energy: 0.749797294432509
Energy: 0.8527360023278681
Energy: 0.6923979488590021
Energy: 0.776483973374284
Energy: 0.8498198406489477
Energy: 0.8620662581552342
Energy: 0.6929535978092066
Energy: 0.6924131243049164
Energy: 0.6909206438036035
Energy: 0.6651879775917017
Energy: 0.9615840761267109
Energy: 0.6926992477674219
Energy: 0.6918407842937974
Energy: 0.6918213856039126
Energy: 0.806271021183496

minimum gb energy = 0.04623045245977969 eV
minimum distance =  2.23353158509192 Angstroms
sigma value = 165


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

Energy: 1.3775858083378676
Energy: 0.8048778099846179
Energy: 0.828966448454261
Energy: 0.8191192067902648
Energy: 0.8052308599848131
Energy: 0.8571836408966924
Energy: 0.8186665669441348
Energy: 0.8285571413838533
Energy: 0.8189482105023922
Energy: 0.8057161083198402
Energy: 0.8092649631097241
Energy: 0.8175604432275686
Energy: 0.8192925677224979
Energy: 0.8770033342657038
Energy: 0.8160062489499296
Energy: 0.8172923406985614
Energy: 0.8177632212366284
Energy: 0.8194453332795933
Energy: 0.8757089854605046
Energy: 0.816761325946398
Energy: 0.8072391783422077
Energy: 0.8768409550922336
Energy: 0.8538789637636655
Energy: 0.8080698287721247
Energy: 0.8063283728300302
Energy: 0.8059662040148192
Energy: 0.8035306404148097
Energy: 0.805717149336731
Energy: 0.8095069092533462
Energy: 0.8066087727711236
Energy: 0.8466356949296611
Energy: 0.8150995993000604
Energy: 0.8056909459234897
Energy: 0.8072148091377694
Energy: 0.8165544976477271
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Energy: 0.808115562509918
Energy: 0.8060261771799886
Energy: 0.8210361415432591
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Energy: 0.8219535373923955
Energy: 0.8306645508903773
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Energy: 0.8337577935124009
Energy: 0.8207149974530226
Energy: 0.8113987661683458
Energy: 0.8128425250442546
Energy: 0.8192544536231974
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Energy: 0.8130173557885062
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Energy: 0.821259066008894
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Energy: 0.8531488234755964
Energy: 0.8550131487405676
Energy: 0.8047853815063477
Energy: 0.8062877344467138
Energy: 0.8163246430377786
Energy: 0.8195967812703605
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Energy: 0.8161665319175918
Energy: 0.826637432226319
Energy: 0.8172113283058023
Energy: 0.8167088600318979
Energy: 0.8196857476103273
Energy: 0.8045900867088978
Energy: 0.8651461290932566
Energy: 0.8058171439100207
Energy: 0.8211806776919519
Energy: 0.8062337134681462
Energy: 0.8176790195854843
Energy: 0.8625548068764228
Energy: 0.8052340963273227
Energy: 0.821776215326886
Energy: 0.8060153090148884
Energy: 0.8178833452058782
Energy: 0.8094520379606478
Energy: 0.8067212655818478
Energy: 0.8054553641947184
Energy: 0.8493875854985319
Energy: 0.8052641776590383
Energy: 0.8072982162608852
Energy: 0.8085027883772089
Energy: 0.8050049788327581
Energy: 0.8479642072099144
Energy: 0.8069937943878169
Energy: 0.8075246717347705
Energy: 0.8201864271942179
Energy: 0.8045109062247023
Energy: 0.876302504648711
Energy: 0.818710418746882
Energy: 0.8078197757970829
Energy: 0.8191002072652779
Energy: 0.8043828246866421
Energy: 0.8751442508806611
Energy: 0.8538960495462106
Energy: 0.8528426407829485
Energy: 0.8548366131067106
Energy: 0.8193168895320246
Energy: 0.8182844652859341
Energy: 0.828743195122404
Energy: 0.8480170657759407
Energy: 0.8313433354282249
Energy: 0.8187721490546744
Energy: 0.8176656939385262
Energy: 0.8289756295107653
Energy: 0.8473939008124426
Energy: 0.8260144610033451
Energy: 0.8172798134057025
Energy: 0.824348440083668
Energy: 0.8625127513671834
Energy: 0.8998819372829814
Energy: 0.8254929731895934
Energy: 0.8185549124484036
Energy: 0.8235296742333278
Energy: 0.8625810711285262
Energy: 0.8099555958740187
Energy: 0.8686176283560707
Energy: 0.8193714185118682
Energy: 0.8180254155962539
Energy: 0.8179112147223966
Energy: 0.8108538361921243
Energy: 0.8691743438076646
Energy: 0.8196573795258176
Energy: 0.8186375242941394
Energy: 0.8191267598227158

minimum gb energy = 0.8035306404148097 eV
minimum distance =  2.29062167677865 Angstroms
sigma value = 41


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

Energy: 0.9480531640819253
Energy: 0.6773943914907127
Energy: 0.6643733892234661
Energy: 0.6497194845213913
Energy: 0.6220353290370255
Energy: 0.6900455497924919
Energy: 0.6218843451380427
Energy: 0.6691486143201507
Energy: 0.6783239052084941
Energy: 0.6952505996307189
Energy: 0.7094487946405457
Energy: 0.7029139287701468
Energy: 0.6809080063990707
Energy: 0.641736787922679
Energy: 0.6972500244242472
Energy: 0.6911637859618887
Energy: 0.663397327579546
Energy: 0.6786145394248043
Energy: 0.6458612965618863
Energy: 0.7308592324608736
Energy: 0.7600387673563386
Energy: 0.7438417618044215
Energy: 0.7380324186597561
Energy: 0.7116798190334652
Energy: 0.7148811190311304
Energy: 0.7005389943402917
Energy: 0.6529027906652491
Energy: 0.6970144772717228
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Energy: 0.7192994862696273
Energy: 0.6903554334007375
Energy: 0.7082953985367305
Energy: 0.753710319959629
Energy: 0.6915647250935034
Energy: 0.8787388536366354
Energy: 0.6714986413410289
Energy: 0.6203707777864569
Energy: 0.6961967729043266
Energy: 0.71943693038378
Energy: 0.7843429606936142
Energy: 0.7390875014946575
Energy: 0.7520998560043728
Energy: 0.7161315247713876
Energy: 0.7464649122391424
Energy: 0.6904048461043192
Energy: 0.692594756908899
Energy: 0.6930912508796225
Energy: 0.7653277873297474
Energy: 0.7556924855566645
Energy: 0.7164028643209008
Energy: 0.7575923149567386
Energy: 0.7252400142077913
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Energy: 0.7355771478857955
Energy: 0.7596059633621288
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Energy: 0.709091483117186
Energy: 0.7527979602995114
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Energy: 0.7409492201913582
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Energy: 0.6895874086230955
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Energy: 0.694575598295993
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Energy: 0.6831775114709305
Energy: 0.6553143760492055
Energy: 0.7228482160323949
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Energy: 0.6660297711244808
Energy: 0.7184478550463091
Energy: 0.7177426118625164
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Energy: 0.695833858867136
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Energy: 0.7391703266439488
Energy: 0.6992393813622927
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Energy: 0.7247970874273367
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Energy: 0.6993998295710808
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Energy: 0.6995244616413524
Energy: 0.7551425868797583
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Energy: 0.6948250563972396
Energy: 0.7799625266794143
Energy: 0.723345671186547
Energy: 0.6952351659419764
Energy: 0.7390993122345145
Energy: 0.7225255603514243
Energy: 0.7785143232462653
Energy: 0.7511854371064048
Energy: 0.6976190428698896
Energy: 0.7386699705613419
Energy: 0.721008849089424
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Energy: 0.7516178137634232
Energy: 0.8250843665045018
Energy: 0.7097565730190154
Energy: 0.7166965933275474
Energy: 0.7324045943231233
Energy: 0.7507300557423755
Energy: 0.7793489085241638
Energy: 0.13748191362725948
Energy: 0.716455216233663
Energy: 0.7479452441625785
Energy: 0.7368029085115443
Energy: 0.7370693824019964
Energy: 0.7426949104249663
Energy: 0.7400958061310066
Energy: 0.709314096371398
Energy: 0.1764315309073817
Energy: 0.7490401235276852
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Energy: 0.7409440487270998
Energy: 0.6997984520881604
Energy: 0.6832262313127551
Energy: 0.7575449564078892
Energy: 0.7650741889513835
Energy: 0.7666657470012611
Energy: 0.7131066777047863
Energy: 0.7337555180340728
Energy: 0.7655777892132766
Energy: 0.7640500121634053
Energy: 0.7410874441885361
Energy: 0.7259678118884597
Energy: 0.9262825081593244
Energy: 0.7181751724344902
Energy: 0.7041494381180159
Energy: 0.7367293545164074
Energy: 0.7389513517568117
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Energy: 0.6794424880382505
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Energy: 0.7070261457324969
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Energy: 0.7525930862673493
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Energy: 0.7465169753759003
Energy: 0.7310626209321747
Energy: 0.7500639409958076
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Energy: 0.7257231864255911
Energy: 0.7181295287373176
Energy: 0.6512327917876486
Energy: 0.7046039947550204
Energy: 0.690312498455176
Energy: 0.7096873861015794
Energy: 0.6875772351649824
Energy: 0.6748680158863134
Energy: 0.7196703751851424
Energy: 0.6788706961255722
Energy: 0.6364554837676701
Energy: 0.6399530538256353
Energy: 0.675913986732209
Energy: 0.7195322890209713
Energy: 0.6450375356098389
Energy: 0.6874197390202915
Energy: 0.6802103850408858
Energy: 0.740857831451505
Energy: 0.733514546671573
Energy: 0.6854117113322009
Energy: 0.609392605881044
Energy: 0.6333266875465364
Energy: 0.6921751112576074
Energy: 0.7110315045797364
Energy: 0.6862818767480677
Energy: 0.6487102561732657
Energy: 0.7053053034137837
Energy: 0.7173327371252722
Energy: 0.619750682898779
Energy: 0.6778558070228099
Energy: 0.6894140223482941
Energy: 0.649691034501981
Energy: 0.7178332959184317
Energy: 0.620304810804863
Energy: 0.6812583953387323
Energy: 0.6822959110888263
Energy: 0.6846104325277939

minimum gb energy = 0.13748191362725948 eV
minimum distance =  2.27907752874262 Angstroms
sigma value = 185


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

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Energy: 0.4844808986499896
Energy: 0.675625453396326
Energy: 0.6401287570503145
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Energy: 0.33193095007111084
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Energy: 0.5516632846403542
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Energy: 0.2840292495432682
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Energy: 0.581925151244486
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Energy: 0.5713828155981707
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Energy: 0.5442168804429174
Energy: 0.5042026681793728
Energy: 0.5056275630957475
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Energy: 0.5169484960667802
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Energy: 0.3365634089685216
Energy: 0.547178641326238
Energy: 0.383334021518734
Energy: 0.6122627748492617
Energy: 0.5861067220137058
Energy: 0.661085339096018
Energy: 0.5147658358127759
Energy: 0.3697198821324266
Energy: 0.4894916130132391
Energy: 0.4619940909978684
Energy: 0.5473235282439065
Energy: 0.38607764899875796
Energy: 0.3830446036545987
Energy: 0.5915292745012593
Energy: 0.6638850395241017
Energy: 0.5817545843619502
Energy: 0.3778325707925231
Energy: 0.36868540282532736
Energy: 0.5864061433845265
Energy: 0.6819369960925075
Energy: 0.6728805423798797
Energy: 0.578061464333323
Energy: 0.5418564281226528
Energy: 0.53969647109193
Energy: 0.5321267675891908
Energy: 0.5821932761246397
Energy: 0.5354497229265924
Energy: 0.5133746804001197
Energy: 0.5378112982922457
Energy: 0.6489509955229327
Energy: 0.5559703352934152
Energy: 0.5518609317581585
Energy: 0.514296008056237
Energy: 0.5332207339801038
Energy: 0.6046915983454917
Energy: 0.655095201017611
Energy: 0.36922175149946207
Energy: 0.5999542899594632
Energy: 0.6419143047191276
Energy: 0.6857882868829527
Energy: 0.5237627496939616

minimum gb energy = 0.22345710447174275 eV
minimum distance =  2.31117417628124 Angstroms
sigma value = 33


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

Energy: 0.6355052953649805
Energy: 0.6271232556836416
Energy: 0.6164439860999039
Energy: 0.5806226319712369
Energy: 0.5989554507178176
Energy: 0.5966077980749552
Energy: 0.6164203807021235
Energy: 0.6108661269260287
Energy: 0.6240610410281444
Energy: 0.6187497504359251
Energy: 0.7927357237088464
Energy: 0.5968781264125855
Energy: 0.6428259066962954
Energy: 0.6456481389258392
Energy: 0.6382242303126316
Energy: 0.7408010356677981
Energy: 0.6543791357927773
Energy: 0.6686126894272418
Energy: 0.6994727939431924
Energy: 0.6160373644354804
Energy: 0.6186390234190894
Energy: 0.6249776057558613
Energy: 0.6569470273519007
Energy: 0.6228464033201871
Energy: 0.6039401579349974
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Energy: 0.6113478952088311
Energy: 0.6094142858542482
Energy: 0.8816173223840039
Energy: 0.6139913489102063
Energy: 0.6510975462627026
Energy: 0.6345220717936402
Energy: 0.6437700604540905
Energy: 0.6668856743147921
Energy: 0.6220211457759673
Energy: 0.6483142662505815
Energy: 0.6564113444752321
Energy: 0.6479888637840504
Energy: 0.6187024768494619
Energy: 0.6388513811324362
Energy: 0.646366087916197
Energy: 0.6429903198878744
Energy: 0.6112973610172305
Energy: 0.6717905022680075
Energy: 0.6327146384186237
Energy: 0.6458172277065599
Energy: 0.6491346937453584
Energy: 0.631952382922835
Energy: 0.6831538224150528
Energy: 0.5939700100356403
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Energy: 0.6681127497420355
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Energy: 0.6999911973357815
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Energy: 0.5878934958797265
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Energy: 0.6322850883537439
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Energy: 0.6944778995463486
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Energy: 0.6317768757206357
Energy: 0.61555480199553
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Energy: 0.6352361127374316
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Energy: 0.6293001620876386
Energy: 0.6117427830666775
Energy: 0.6025532564680344
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Energy: 0.6151214897851307
Energy: 0.620758643263732
Energy: 0.6376730436488377
Energy: 0.6417599127682322
Energy: 0.6035024620827771
Energy: 0.5986469057285174
Energy: 0.5989293172219705
Energy: 0.5803870996705898
Energy: 0.5986652644600938
Energy: 0.6324507621898383
Energy: 0.5985355435841765
Energy: 0.6120083599902766
Energy: 0.5805348555622089
Energy: 0.6608526839288202
Energy: 0.6292127840967684
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Energy: 0.5808759365223177
Energy: 0.6919204125069057
Energy: 0.6221870246300781
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Energy: 0.6498617233137027
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Energy: 0.5896640572362487
Energy: 0.6021847576439414
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Energy: 0.6273598238237167
Energy: 0.6061019029930003
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Energy: 0.610188427177368
Energy: 0.5982209118633632
Energy: 0.6128878161442884
Energy: 0.5850376307869009
Energy: 0.6802796974183892
Energy: 0.6170476854831971
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Energy: 0.6156352908609689
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Energy: 0.5785114699222579
Energy: 0.6179795182485609
Energy: 0.599157656208016
Energy: 0.6509935971057101
Energy: 0.5956378406533804
Energy: 0.5780034710442318
Energy: 0.7060932644490042
Energy: 0.6167895772028456
Energy: 0.6762612123384247
Energy: 0.6021453706390831
Energy: 0.6163919462507443
Energy: 0.7482750733907015
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Energy: 0.6773698700262449
Energy: 0.5940879257338311
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Energy: 0.8752657071342449
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Energy: 0.5920040305689035
Energy: 0.6162790339549464
Energy: 0.606320577398306
Energy: 0.6013547044014489
Energy: 0.6168875873054542

minimum gb energy = 0.5632244628527072 eV
minimum distance =  2.31085689986143 Angstroms
sigma value = 219


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

Energy: 0.9431910030172851
Energy: 0.852646236776483
Energy: 0.8685928487133104
Energy: 0.8675457765639261
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Energy: 0.8924154120938083
Energy: 0.8314069421174195
Energy: 0.8668607430111668
Energy: 0.8934808163371895
Energy: 0.9756958990209279
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Energy: 0.8858476830257129
Energy: 0.880436432223302
Energy: 0.8932019230108996
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Energy: 0.8811091787658556
Energy: 0.8859499756684242
Energy: 0.869493955955556
Energy: 0.9601958296959263
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Energy: 0.8805648382438633
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Energy: 0.8571909948234476
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Energy: 0.8689588672690998
Energy: 0.8811008621014808
Energy: 0.8869393939923638
Energy: 0.8752017728214955
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Energy: 0.8951993282990162
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Energy: 0.8344565061533741
Energy: 0.8564068089776495
Energy: 0.9602644719934443
Energy: 0.8318685078616155
Energy: 0.8464624876899736
Energy: 0.8387897928427407
Energy: 0.8668240760371309
Energy: 0.8565953008382924
Energy: 0.8566256582281251
Energy: 0.8465904880824061
Energy: 0.8386349216860037
Energy: 0.8659233337832272
Energy: 0.874017395565824
Energy: 0.8569955232972146
Energy: 0.8667157140031059
Energy: 0.8915641752479121
Energy: 0.8601416853841153
Energy: 0.8424898756102837
Energy: 0.8577964164049429
Energy: 0.8666070574207191
Energy: 0.8926387017062843
Energy: 0.9074121796611844
Energy: 0.8753727179912995
Energy: 0.8572618428803465
Energy: 0.8462637674586532
Energy: 0.8667538894533124
Energy: 0.8655631524308574
Energy: 0.8656882656345111
Energy: 0.8806710425362856
Energy: 0.848440093228063
Energy: 0.8665006603504094
Energy: 0.8658579660052858
Energy: 0.8828856616562016
Energy: 0.8814407864062441

minimum gb energy = 0.7727550298329924 eV
minimum distance =  2.32713485525493 Angstroms
sigma value = 15


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

Energy: 1.0074397807311601
Energy: 1.087335901588953
Energy: 1.0606323098904344
Energy: 1.0542928258632218
Energy: 0.8622820602779266
Energy: 1.0639110495314927
Energy: 1.0192034277126154
Energy: 1.0608761503459032
Energy: 1.0771799055797093
Energy: 0.9327740279664352
Energy: 1.0706729330378375
Energy: 0.9920300711962341
Energy: 1.0148865081288172
Energy: 1.0153446112296578
Energy: 0.9944602001849641
Energy: 1.0726850191104773
Energy: 0.9913248269053209
Energy: 1.0783696867322397
Energy: 1.0200639557479867
Energy: 0.9950922354182543
Energy: 1.0884878644953406
Energy: 1.0038999653635465
Energy: 1.000949271253395
Energy: 1.0803848769665936
Energy: 1.0819584440620043
Energy: 1.0855402840204547
Energy: 1.0014081211027013
Energy: 1.0048547621763846
Energy: 1.037438903408902
Energy: 1.0733138820242998
Energy: 1.120716762239737
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Energy: 1.0731030127245598

minimum gb energy = 0.8540668506316894 eV
minimum distance =  2.32653704958616 Angstroms
sigma value = 293


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

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Energy: 1.001350545024805
Energy: 0.9674238308088742
Energy: 0.9810475823194718
Energy: 1.0112563914665582
Energy: 1.135841143967626
Energy: 0.9835247415072444
Energy: 0.9739196007755767
Energy: 0.9825590453236048
Energy: 1.1361191140038032
Energy: 1.135799748828026
Energy: 0.9832110572751365
Energy: 1.094443631057399
Energy: 0.8377563643470468
Energy: 0.9741052505257803
Energy: 0.9760327303696658
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Energy: 0.9665450531818245
Energy: 0.8565256767439725
Energy: 0.9728552234157276
Energy: 0.9817237840233538
Energy: 0.9687012560862298
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Energy: 1.0690058915740566
Energy: 0.9962489862780384
Energy: 1.0335250897880444
Energy: 0.9578661932319316
Energy: 1.1045396675873764
Energy: 1.0705398578615473
Energy: 0.928474559652075
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Energy: 0.9554653050665506
Energy: 0.961024333835445
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Energy: 0.9704977045804435
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Energy: 0.9791072721190316
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Energy: 1.0626027602634462
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Energy: 1.0469613239705506
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Energy: 1.0715822380209359
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Energy: 1.1712829443146793
Energy: 0.9722051493390238
Energy: 0.9684105836116425
Energy: 0.9596425390619236
Energy: 0.9577582329622905
Energy: 1.1252917184032725
Energy: 0.9611277695901099
Energy: 0.9689185903678809
Energy: 0.9675730643529278
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Energy: 1.1255297122995926
Energy: 0.9692454889942974
Energy: 0.9717000502183755
Energy: 0.9722507036992387
Energy: 0.9568908569997544
Energy: 0.954549338020285
Energy: 0.8635023706471671
Energy: 0.9706630968720966
Energy: 0.9724024876379568
Energy: 0.9569357486127266
Energy: 0.9556537048591885
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Energy: 0.9702564222420063
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Energy: 0.9736327014612974
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Energy: 1.0054932263671796
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Energy: 0.9728306382078251
Energy: 1.0027609874649217
Energy: 1.1788833401609808
Energy: 1.0034099031018084
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Energy: 0.974062931127713
Energy: 1.0035933344441776
Energy: 1.1775341900091216
Energy: 1.0502859575782455
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Energy: 1.0676983549601955
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Energy: 0.9765222631204364
Energy: 1.1091916039025511
Energy: 0.9652538177848969
Energy: 1.0726512797050258
Energy: 1.0699934202913435
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Energy: 0.9785120918481709
Energy: 0.9577625556694316
Energy: 1.0695663987308452
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Energy: 0.9611533591923549
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Energy: 1.0692953268744847
Energy: 1.0314526143020202
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Energy: 0.9700171584597608
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Energy: 0.9827003271270238
Energy: 1.0627015150704502
Energy: 0.9688108456710824
Energy: 1.0042349123391276
Energy: 1.1306630187785078
Energy: 0.983325255775948
Energy: 1.0630431166772532
Energy: 0.968686612300104
Energy: 1.0690078296766283
Energy: 1.0622176523449567
Energy: 1.0590515502349611
Energy: 1.1961087642485817
Energy: 1.010232996899685
Energy: 1.0677300944699668
Energy: 0.9563958648231412
Energy: 1.059038340744659
Energy: 1.19607543574488
Energy: 1.0692529518020504
Energy: 1.1262202911596666
Energy: 0.9557480671591206
Energy: 0.9579125662860785
Energy: 1.0636395269971402
Energy: 1.073056080367678
Energy: 1.1954051420814837
Energy: 0.9554411665364537
Energy: 0.9572244875352897
Energy: 1.064083648528741
Energy: 1.0741479873672
Energy: 0.95869535432321
Energy: 1.1248496574188829
Energy: 0.9681842221247955
Energy: 0.9734349127873368
Energy: 0.9697830252299202
Energy: 0.9583435147815732
Energy: 1.124777097707677
Energy: 0.9682274839090493
Energy: 1.002606957605497
Energy: 0.9695951074348038
Energy: 0.9567079507212354
Energy: 0.9734279203526709
Energy: 0.9602276343795901
Energy: 0.9724731476523251
Energy: 0.9706522034043701
Energy: 0.955974294167442
Energy: 0.9730934100599405
Energy: 0.9577433654547239
Energy: 0.9718042895281738
Energy: 0.9717842155292303
Energy: 0.9734085186163547
Energy: 1.1739544576604124
Energy: 0.974209329707239
Energy: 0.9686879397928562
Energy: 0.9730404035993041
Energy: 0.8549599528460882
Energy: 1.1754602462407036
Energy: 0.9739249707873044
Energy: 0.9574404125712479
Energy: 0.9759381178062593
Energy: 0.9811727316221612
Energy: 1.1550693898302284
Energy: 1.1513894594690728
Energy: 0.9816500150019696
Energy: 0.9733427064120097
Energy: 0.980928998271881
Energy: 1.1561427037496732
Energy: 1.1376315882046437
Energy: 0.9833861967023184
Energy: 0.9734486017107595
Energy: 1.0723596393339323
Energy: 0.9574381551691485
Energy: 0.9804702964677617
Energy: 1.13519580499266
Energy: 0.9644278137986209
Energy: 1.0919096265045019
Energy: 0.9588955137093116
Energy: 0.9807548155446074
Energy: 1.135147277104747
Energy: 1.0671608693340098

minimum gb energy = 0.8377563643470468 eV
minimum distance =  2.3145441287542 Angstroms
sigma value = 293


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

Energy: 1.1992052534209394
Energy: 1.0868047341104279
Energy: 1.1666702671620182
Energy: 1.09162925701855
Energy: 1.0873313196350414
Energy: 1.199142997769381
Energy: 1.090756936542725
Energy: 1.1671895469941311
Energy: 1.090946807440569
Energy: 1.088268837495151
Energy: 1.0864378812512572
Energy: 1.0917829027619153
Energy: 1.0912436065265718
Energy: 1.0909373943077836
Energy: 1.0897265313375744
Energy: 1.1683550975476356
Energy: 1.0925083210364064
Energy: 1.0873793429374072
Energy: 1.0914238232856397
Energy: 1.0899406375380785
Energy: 1.0907801087333824
Energy: 1.0920282510328967
Energy: 1.0909768480967412
Energy: 1.0917759835872274
Energy: 1.1686460651873964
Energy: 1.0901581653732457
Energy: 1.0916143414219475
Energy: 1.0919954676366992
Energy: 1.1687586702065098
Energy: 1.1686171348907546
Energy: 1.1680545954877035
Energy: 1.088181731119269
Energy: 1.0879680187863157
Energy: 1.0898087434699053
Energy: 1.168718718311515
Energy: 1.1675559798211832
Energy: 1.0870857069898614
Energy: 1.0874427873635317
Energy: 1.0902420987695411
Energy: 1.147603606179955
Energy: 1.0906496692202121
Energy: 1.089379874303726
Energy: 1.0887202276919064
Energy: 1.0926899203963019
Energy: 1.0924084866051709
Energy: 1.0901538890165965
Energy: 1.090148014003318
Energy: 1.0857855207408809
Energy: 1.092257266043518
Energy: 1.0915341006950632
Energy: 1.0914809573256345
Energy: 1.167839026410456
Energy: 1.0901713530686556
Energy: 1.0930234961714347
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Energy: 1.0916207309163823
Energy: 1.1676625926045099
Energy: 1.090884417980033
Energy: 1.091969721183626
Energy: 1.0872030807122335
Energy: 1.1665792740784466
Energy: 1.1490010258868841
Energy: 1.089892221812422
Energy: 1.091296208059552
Energy: 1.0920103197850233
Energy: 1.1668582457746315
Energy: 1.1497557795796833
Energy: 1.0895836473111893
Energy: 1.0913253990736387
Energy: 1.091465699349547
Energy: 1.0902731835657589
Energy: 1.1675813583533845
Energy: 1.0939786930275162
Energy: 1.1991453477028542
Energy: 1.0883947294846588
Energy: 1.0906672482855346
Energy: 1.1678386023992067
Energy: 1.0913707286646792
Energy: 1.1999022676040285
Energy: 1.0880188693809352
Energy: 1.0926612938679472
Energy: 1.087798084995701
Energy: 1.089728877758512
Energy: 1.0888935347506041
Energy: 1.1674185564802881
Energy: 1.09116103154594
Energy: 1.090884587636706
Energy: 1.089695058930104
Energy: 1.0883026539576448
Energy: 1.1676952041039732
Energy: 1.09235460664305
Energy: 1.092919249315812
Energy: 1.1683944443167387
Energy: 1.1712566773470159
Energy: 1.0905753428218188
Energy: 1.1477286061257024
Energy: 1.147290675748922
Energy: 1.232259683145396
Energy: 1.0908709326593589
Energy: 1.092560851549775
Energy: 1.0858652055125424
Energy: 1.0893737641261751
Energy: 1.0887396901662936
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Energy: 1.1683940859823776
Energy: 1.0883227493267953
Energy: 1.0894045095338771
Energy: 1.1496222502178814
Energy: 1.0895149729111675
Energy: 1.1686656547345002
Energy: 1.1994642003151508
Energy: 1.0913913538757078
Energy: 1.1665793676241967
Energy: 1.0915022529497251
Energy: 1.0870684799614563
Energy: 1.1997845987400795
Energy: 1.090950878681484
Energy: 1.1675303182238905
Energy: 1.0911175699826694
Energy: 1.0880342612983074
Energy: 1.167409630978276
Energy: 1.0914738708185427
Energy: 1.0912604956935545
Energy: 1.0908732102902101
Energy: 1.0898939832008514
Energy: 1.1683332972164695
Energy: 1.0924278927385591
Energy: 1.0874122022329697
Energy: 1.0913377101331945
Energy: 1.089865361219878
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Energy: 1.0924365241049794
Energy: 1.0908055020414387
Energy: 1.0921381500901206
Energy: 1.1687381794688683
Energy: 1.09025059745524
Energy: 1.0917860561691854
Energy: 1.0917538829498772
Energy: 1.1679800643385978
Energy: 1.1688409764853667
Energy: 1.1680840405555202
Energy: 1.0874431746483268
Energy: 1.0880522649641604
Energy: 1.0899899664314345
Energy: 1.16847454082439
Energy: 1.1678015530172607
Energy: 1.0873595573830748
Energy: 1.087576953777969
Energy: 1.0901667499051766
Energy: 1.168986708150134
Energy: 1.090716076043862
Energy: 1.0895139548737633
Energy: 1.0877867200380313
Energy: 1.092657584901585
Energy: 1.0923336734221964
Energy: 1.0901716178247418
Energy: 1.0897569687678101
Energy: 1.0871834683248602
Energy: 1.093292518148616
Energy: 1.091742875076084
Energy: 1.0913997051822075
Energy: 1.1678667210106288
Energy: 1.0901245520194713
Energy: 1.093040822711495
Energy: 1.0884135550917327
Energy: 1.0918950175288051
Energy: 1.1676737292110873
Energy: 1.09063375049266
Energy: 1.0921441024422769
Energy: 1.087465475613611
Energy: 1.170110021974604
Energy: 1.148443716959182
Energy: 1.0899100654520488
Energy: 1.0910680714476744
Energy: 1.0917752916434762
Energy: 1.1666645799387154
Energy: 1.1493272606772038
Energy: 1.0896355849616406
Energy: 1.091126865314493
Energy: 1.0920588254257877
Energy: 1.0900446787646882
Energy: 1.1670122955223599
Energy: 1.093810109431522
Energy: 1.198935322386122
Energy: 1.089193338153096
Energy: 1.0905404104350174
Energy: 1.1677936286323953
Energy: 1.09104445924554
Energy: 1.199845167027949
Energy: 1.0887968140724331
Energy: 1.092945930449908
Energy: 1.087451346858193
Energy: 1.0898509146108397
Energy: 1.0886784776270981
Energy: 1.1681767467388176
Energy: 1.0921893167590209
Energy: 1.0908839272337294
Energy: 1.0896789421256738
Energy: 1.0883470794120305
Energy: 1.0916645307980497
Energy: 1.0921564420699201
Energy: 1.0943830339599525
Energy: 1.1675449444291814
Energy: 1.090717309595137
Energy: 1.0905563820353017
Energy: 1.1476242323437464
Energy: 1.1472965360361538
Energy: 1.2328059705402952
Energy: 1.0910001239141562
Energy: 1.0924893418177397
Energy: 1.0859476410868951
Energy: 1.0895563081913382
Energy: 1.0888527688380003
Energy: 1.1672184002892643
Energy: 1.1689867420865991
Energy: 1.0883716665098566
Energy: 1.089587843907908
Energy: 1.149909884817971
Energy: 1.1669344583050296
Energy: 1.1697476469557169

minimum gb energy = 1.0857855207408809 eV
minimum distance =  2.33975812335439 Angstroms
sigma value = 15


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

Energy: 1.0348943726550393
Energy: 1.0866862526441718
Energy: 1.0752412447739854
Energy: 1.0390468643781798
Energy: 1.0740970195448738
Energy: 1.049880350320738
Energy: 1.0437046962764374
Energy: 1.07435661726368
Energy: 1.0380607017622405
Energy: 1.0762720920601982
Energy: 1.0392901556199372
Energy: 1.0324635159698576
Energy: 1.0482887100688647
Energy: 1.0489908901376415
Energy: 1.1354798135541195
Energy: 1.0487990115876327
Energy: 1.031405402443368
Energy: 1.0537430737429132
Energy: 1.0520585209683995
Energy: 1.1363137747101366
Energy: 1.0269863560020034
Energy: 1.1084338138891079
Energy: 1.0495947817451623
Energy: 1.1048908982835686
Energy: 1.1639291604394775
Energy: 1.0270195100679722
Energy: 1.091914229359034
Energy: 1.160958153973478
Energy: 1.1313173677529984
Energy: 1.1875449262542865
Energy: 1.1221540442389024
Energy: 1.0628703264042132
Energy: 1.0506888483487806
Energy: 1.0461270133320895
Energy: 1.1598679331538893
Energy: 1.1300214748393655
Energy: 1.062276819478743
Energy: 1.0609548981121437
Energy: 1.0466114031632574
Energy: 1.165088164419414
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Energy: 1.067592164397489
Energy: 1.069837836003018
Energy: 1.0981975738632819
Energy: 1.2662455369355712
Energy: 1.0447884748976581
Energy: 1.070269145322262
Energy: 1.0932278755495344
Energy: 1.098693159711038
Energy: 1.2654573953832922
Energy: 1.2261497891379256
Energy: 1.0604859256315091
Energy: 1.039222446038594
Energy: 1.0651715242652524
Energy: 1.3141370171210327
Energy: 1.1609504148262202
Energy: 1.0510110240309793
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Energy: 1.0647584838033146
Energy: 1.2675858333709973
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Energy: 1.0504638239890347
Energy: 1.0423843756961384
Energy: 1.117930627115442
Energy: 0.9811590979996766
Energy: 1.0560647576565592
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Energy: 1.120486277757105
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Energy: 1.0934029074274416
Energy: 1.102040437703666
Energy: 1.067205024701869
Energy: 1.074926364326296
Energy: 1.0500772684429442
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Energy: 1.0432025574820858
Energy: 1.0761120758730993
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Energy: 1.2598125845488253
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Energy: 1.0666780285745536
Energy: 1.160207649489091
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Energy: 1.0601243545780397
Energy: 1.07576220427889
Energy: 1.0659110768363187
Energy: 1.0706033047092123
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Energy: 1.067188668788917
Energy: 1.0745883418451536
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Energy: 1.0500606166041426
Energy: 1.0764433759066558
Energy: 1.061389033092337
Energy: 1.1034440006390738
Energy: 1.0438570951830233
Energy: 1.0567885173515288
Energy: 1.0507308541747336
Energy: 1.1476638243115207
Energy: 1.104893279433193
Energy: 1.039100509656126
Energy: 1.0501573720893411
Energy: 1.0518351529900318
Energy: 1.186795684480664
Energy: 1.054021564467384
Energy: 1.0450893872876315
Energy: 1.1649148465295036
Energy: 1.066721077311323
Energy: 1.081494513939874
Energy: 1.054615346028125
Energy: 1.0588285561409763
Energy: 1.0807176691374882
Energy: 1.068231766710605
Energy: 1.0766035785791155
Energy: 1.118499647241549
Energy: 1.063903764793163
Energy: 1.0485064508453876
Energy: 1.042479352260032
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Energy: 1.0399386939574107
Energy: 1.080654670868002
Energy: 1.088764581346689
Energy: 1.047451273756581
Energy: 1.1066277225990424
Energy: 1.0598682609547476
Energy: 1.0517573987132083
Energy: 1.0439587352949085
Energy: 1.047203916281829
Energy: 1.1055433380175173
Energy: 1.0611945284063717
Energy: 1.0500174624584593
Energy: 1.0426124953818139
Energy: 1.0468479627216296
Energy: 1.1671986341478735
Energy: 1.1258808266578197
Energy: 1.1910774063116165
Energy: 1.088879989763745
Energy: 1.0845269318836048
Energy: 1.074523554734395
Energy: 1.1269649071528607
Energy: 1.170537618916195
Energy: 1.0887414947860998
Energy: 1.0247870727747774
Energy: 1.1558471669430719
Energy: 1.0478545318554007
Energy: 1.051931801438977
Energy: 1.1490771198314367
Energy: 1.084776672476971
Energy: 1.1550951653545485
Energy: 1.194243430005906
Energy: 1.025563304031204
Energy: 1.1493560619818584
Energy: 1.0516512272341694
Energy: 1.103621625857036
Energy: 1.0384656071249658
Energy: 1.1638611184399645
Energy: 1.0445103266685767
Energy: 1.1621085347924591
Energy: 1.1025054082669712
Energy: 1.0388783206290164
Energy: 1.1760206758509633
Energy: 1.0459641931804917
Energy: 1.1839786171563782
Energy: 1.0472512327449341
Energy: 1.1828896661220747
Energy: 1.2170037023884899
Energy: 1.1156586479727884
Energy: 1.0366229999111283
Energy: 1.0646343558802882
Energy: 1.314355821803514
Energy: 1.1421084105747226
Energy: 1.1166329914421995
Energy: 1.037614032051423
Energy: 1.0511562139920714
Energy: 1.0154891784105777
Energy: 1.0814309200787762
Energy: 1.0500627532006044
Energy: 1.0356903246838622
Energy: 1.0480687405943987
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Energy: 1.0805636441924469
Energy: 1.0513800389978407
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Energy: 1.1892868483874752
Energy: 1.0726932488615035
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Energy: 1.0493801894333465
Energy: 1.0647502996756193
Energy: 1.0745010717511685
Energy: 1.1828657637199553
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Energy: 1.0661288813522065
Energy: 1.075909229988631
Energy: 1.0690760114431737
Energy: 1.1819011809813584
Energy: 1.0842504006951523
Energy: 1.2623052469589178
Energy: 1.0752892788727098
Energy: 1.049703029726219
Energy: 1.049888397301151
Energy: 1.0720030697979002
Energy: 1.0825017859562474
Energy: 1.0684110899451753
Energy: 1.050046271376911
Energy: 1.050890259428443
Energy: 1.0718340989021307
Energy: 1.2593124929874489
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Energy: 1.0498673191624217
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Energy: 1.052846200287542
Energy: 1.0353607728937955
Energy: 1.0503208403656923
Energy: 1.1210276019662546
Energy: 1.0463717041040244
Energy: 1.0507653163627793
Energy: 1.0366128652964752
Energy: 1.160916512546416
Energy: 1.0787901716466326
Energy: 1.1332687737163853
Energy: 1.0529825925990677
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Energy: 1.1613808609324663
Energy: 1.0794389597311482
Energy: 1.0721142196509468
Energy: 1.0561485611686752
Energy: 1.048577124353282
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Energy: 1.077642542221518
Energy: 1.051379253270964
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Energy: 1.049179448066416
Energy: 1.0511020537205218
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Energy: 1.0510351869587824
Energy: 1.0511275340755961
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Energy: 1.0515402186743792
Energy: 1.136731593187975
Energy: 1.0259173105459012
Energy: 1.090565031602411
Energy: 1.1829786050341151
Energy: 1.123679563231004
Energy: 1.1642580959782869
Energy: 1.0841465455112251
Energy: 1.090104416769616
Energy: 1.1598730287126517
Energy: 1.1239130803990995
Energy: 1.1662514522112097
Energy: 1.1497726085283861
Energy: 1.0461612427938973
Energy: 0.9837938405238095
Energy: 1.0608958104296258
Energy: 1.1597206527439188
Energy: 1.149330429312646
Energy: 1.043068363742032
Energy: 1.0601071890400457
Energy: 1.059424862549513
Energy: 1.187437898106192
Energy: 1.0612742354885698
Energy: 1.0671586936974204
Energy: 1.1019411560705217
Energy: 1.099136438875275
Energy: 1.1036612568246087
Energy: 1.0460020990637504
Energy: 1.0556414215301033
Energy: 1.1006594916857702
Energy: 1.0996420352666951
Energy: 1.2044313503404358
Energy: 1.052183086012103
Energy: 1.0268631926795826
Energy: 1.0296063261136368
Energy: 1.0683845689272111
Energy: 1.0944572242979076
Energy: 1.153661895972092
Energy: 1.0274174922728583
Energy: 1.0443733700256335
Energy: 1.0680076093502844
Energy: 1.0725906876673377
Energy: 1.0554246722883505
Energy: 1.05523275487486
Energy: 1.0453857538503033
Energy: 1.0873164187243605
Energy: 1.1250383129388466
Energy: 1.0553004135007906
Energy: 1.0586614346384071
Energy: 1.046378206504062
Energy: 1.0891516965396022
Energy: 0.983490907443538
Energy: 1.0993197736955773
Energy: 1.0502158922115121
Energy: 1.0814451878641362
Energy: 1.0509616688201178
Energy: 1.0769989951832477
Energy: 1.0651288460553257
Energy: 1.0497253467273095
Energy: 1.0813419133593245
Energy: 1.151638369519501
Energy: 1.0752585951006433
Energy: 1.1010489275001658
Energy: 1.1828472375734467
Energy: 1.0712956987556037
Energy: 1.1599771400517565
Energy: 1.0849220501134031
Energy: 1.068724720210032
Energy: 1.0498474739815016
Energy: 1.0714377086558833
Energy: 1.1629510232787594
Energy: 1.0853883562905233
Energy: 1.0783281703546292
Energy: 1.263029737258083
Energy: 1.0814439059116356
Energy: 1.0496025653276009
Energy: 1.1017612898816105
Energy: 1.0790379495048779
Energy: 1.0630690297809526
Energy: 1.0821779850190214
Energy: 1.050836553348967
Energy: 1.0733280227075697
Energy: 1.0293334713860516
Energy: 1.0484950995488127
Energy: 1.0428722463514735
Energy: 1.0495949931110498
Energy: 1.0552183917141595
Energy: 1.065553420318141
Energy: 1.1312778090348148
Energy: 1.0380987448033534
Energy: 1.0496789817592564
Energy: 1.0546546647367236
Energy: 1.1097574682238316
Energy: 1.0667153882294238
Energy: 1.0585329645615762
Energy: 0.9976108711620997
Energy: 1.1625140456956844
Energy: 1.0803356443841767
Energy: 1.0666302867180963
Energy: 1.038798185011639
Energy: 1.0213228090867552
Energy: 1.0747626781209356
Energy: 0.9984697950289972
Energy: 1.0982550115407288
Energy: 1.0678839508626419
Energy: 1.048305841120717
Energy: 1.0421479044331112
Energy: 1.0679045826553153
Energy: 1.0985816941873887
Energy: 1.0681613985261038
Energy: 1.0873125257395186
Energy: 1.0424663977484554
Energy: 1.055293940718657
Energy: 1.0464847605360663
Energy: 1.0388889863302724
Energy: 1.0833066064953392
Energy: 1.1218493975982538
Energy: 1.052415210540408
Energy: 1.0467653967662502
Energy: 1.0509982992316529
Energy: 1.0708178960254144
Energy: 1.125435635422477
Energy: 1.1647804478344541
Energy: 1.1238833839288778
Energy: 1.1760764511870925
Energy: 1.0888001172348973
Energy: 1.0687383038390879
Energy: 1.1651503916886115
Energy: 1.1244430829058676
Energy: 1.0362257928389127
Energy: 1.0900557864265992
Energy: 1.0681516911910696
Energy: 1.1528059120525946
Energy: 1.0604227714406071
Energy: 1.078921138162779
Energy: 1.0512827869776113
Energy: 1.052907599073294
Energy: 1.151931658566667
Energy: 1.0612916672879944
Energy: 1.0758060177542286
Energy: 1.0535864244414859
Energy: 1.046276293256745
Energy: 1.0735738570238766
Energy: 1.0388555835073627
Energy: 1.2509985915862745
Energy: 1.1036517601682727
Energy: 1.083219801860513
Energy: 1.0732605319870803
Energy: 1.0387453837711773
Energy: 1.2525822646273483
Energy: 1.1046648101652616
Energy: 1.0678188669252247
Energy: 1.0528849601319152
Energy: 1.0529880249590033
Energy: 1.0569187310853059
Energy: 1.1350147629087735
Energy: 1.0589105855119791
Energy: 1.057218489846099
Energy: 1.0546314480074737
Energy: 1.0556016406321649
Energy: 1.1349448538710818
Energy: 1.0593230788120978
Energy: 1.0530563218518654
Energy: 1.0614604982653377
Energy: 1.1110982972550252
Energy: 1.0502448912067455
Energy: 1.0365498979457604
Energy: 1.046443890677854
Energy: 1.062489923222045
Energy: 1.0661950558521298
Energy: 1.0530317905218753
Energy: 1.0362942264128518
Energy: 1.0856572526405865
Energy: 1.160817850836407
Energy: 1.071247505889639
Energy: 1.0540428237320743
Energy: 1.04959183017215
Energy: 1.0956365235742958
Energy: 1.1594084785701424
Energy: 1.0714690401977254
Energy: 1.0559261756538547
Energy: 1.0492461951878553
Energy: 1.0745829500700879
Energy: 1.176613883637474
Energy: 1.107971293801593
Energy: 1.0664723621697796
Energy: 1.0751431761001042
Energy: 1.0771536984431311
Energy: 1.0603246997147941
Energy: 1.1081704148448985
Energy: 1.066999085659961
Energy: 1.0735826216446658
Energy: 1.0644620154661533
Energy: 1.050877458742019
Energy: 1.072397194465795
Energy: 1.0964349795863695
Energy: 1.0870116151021576
Energy: 1.0507002735492306
Energy: 1.0513891508173026
Energy: 1.0727095646968312
Energy: 1.0999875687918348
Energy: 1.0859441441444917
Energy: 1.049259028341292
Energy: 1.0518962367286386
Energy: 1.056528314051597
Energy: 0.9951203304059947
Energy: 1.0501911574923244
Energy: 1.0351335473825145
Energy: 1.0520510746742562
Energy: 1.0678396017474954
Energy: 0.9964362509576555
Energy: 1.0492442182926682
Energy: 1.0366491911227758
Energy: 1.1172186123776189
Energy: 1.078468399347889
Energy: 1.0525123458339325
Energy: 1.047027621205582
Energy: 1.0367777442809485
Energy: 1.11688623084587
Energy: 1.0798758801374897
Energy: 1.0692805516675776
Energy: 1.0889192788302005
Energy: 1.0511593881392332
Energy: 1.0438961527250379
Energy: 1.1770284385069147
Energy: 1.037889717988135
Energy: 1.0892312654766012
Energy: 1.05384745784922
Energy: 1.1012204463330593
Energy: 1.129029173106943
Energy: 1.104158156350888
Energy: 1.0902329036680145

minimum gb energy = 0.9811590979996766 eV
minimum distance =  2.28933714347914 Angstroms
sigma value = 437


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

Energy: 1.090682955176931
Energy: 0.9090922112287221
Energy: 1.0358991126012107
Energy: 1.0285872420683568
Energy: 0.9077816713916519
Energy: 1.0223183231885193
Energy: 0.9397726121885555
Energy: 1.0361664767398506
Energy: 1.029911120443083
Energy: 0.9076845311740397
Energy: 1.1258426951871414
Energy: 1.071391652164149
Energy: 1.1533342545115381
Energy: 1.0604754433620787
Energy: 1.1010105418466243
Energy: 1.0277544167456245
Energy: 1.0708688177281083
Energy: 1.154811502630568
Energy: 1.0170470628328137
Energy: 1.150750611951376
Energy: 0.9380874677420491
Energy: 0.9878142882968223
Energy: 0.97132887285893
Energy: 0.965090275206645
Energy: 1.0819454310466656
Energy: 0.9385840995694517
Energy: 1.0681549420276268
Energy: 0.9719845446786334
Energy: 0.9923116376413827
Energy: 1.079855471439262
Energy: 0.9606680121957636
Energy: 0.9518173016431227
Energy: 0.942749872128495
Energy: 0.9284989109759119
Energy: 0.9703595388651722
Energy: 0.9492792947015596
Energy: 0.9446803878915566
Energy: 0.9426929167554905
Energy: 0.9160644113650617
Energy: 0.9715513540831054
Energy: 0.9578522708646461
Energy: 0.9437820307118452
Energy: 0.942279708419271
Energy: 0.9649531006147163
Energy: 0.9121930599107881
Energy: 0.9564916263317287
Energy: 0.945644744219277
Energy: 0.9434890432239023
Energy: 0.989751769265704
Energy: 0.9104292072406351
Energy: 0.9399529161948998
Energy: 0.9559441151067174
Energy: 1.011401707565871
Energy: 0.9378240325298343
Energy: 1.0244883777158649
Energy: 0.9403725073855469
Energy: 0.9572958149337656
Energy: 0.998598775438703
Energy: 0.9380363818615577
Energy: 1.0196729270424385
Energy: 0.9955414189357171
Energy: 0.9875958720913226
Energy: 1.0158648667148062
Energy: 1.0491017712849762
Energy: 1.024592771578091
Energy: 0.996041971488603
Energy: 0.9896833730013813
Energy: 0.9911787099371182
Energy: 1.0251208707190473
Energy: 0.9736514009382645
Energy: 1.0701037260933937
Energy: 0.9703492607045149
Energy: 0.957114008378681
Energy: 1.1487126914241321
Energy: 1.0422016373144365
Energy: 0.9795920930977446
Energy: 1.0266826665154327
Energy: 0.958022570812558
Energy: 1.0406740926254574
Energy: 1.041223968197265
Energy: 0.947767555562277
Energy: 1.0454475506814376
Energy: 0.9406248123401801
Energy: 0.9701630068740063
Energy: 0.9719767386437158
Energy: 0.948984520310976
Energy: 1.045042216361578
Energy: 0.9799506405146426
Energy: 1.0465746290841644
Energy: 0.9458658888386993
Energy: 0.9741106813235154
Energy: 1.1021793134165696
Energy: 0.9574525935465739
Energy: 1.2144067532444252
Energy: 0.9416619164416394
Energy: 0.9206118193222056
Energy: 1.092069244986559
Energy: 0.9572244151284793
Energy: 1.2121935515377964
Energy: 0.9416225074894264
Energy: 0.9581166857613151
Energy: 0.940366632463726
Energy: 0.9480066009906994
Energy: 1.0246119557888511
Energy: 0.9452669958042512
Energy: 0.9595955003821673
Energy: 0.941242220154207
Energy: 0.9447661082860523
Energy: 0.9702216100088096
Energy: 0.9576924652667704
Energy: 0.9403468311983771
Energy: 0.9425926660004935
Energy: 0.9298881187211143
Energy: 0.9846038728017679
Energy: 0.9277307900512034
Energy: 0.9408907199413367
Energy: 0.9429501474124938
Energy: 1.0938309489289428
Energy: 0.9941701203062328
Energy: 0.9261214776433438
Energy: 0.9412881034847417
Energy: 0.9576854436590235
Energy: 1.0630162304108084
Energy: 1.0431293859756265
Energy: 0.9957396633861848
Energy: 0.9410918032588501
Energy: 0.9568220982392526
Energy: 1.0902968049890842
Energy: 1.01561498966377
Energy: 1.0024250469002032
Energy: 1.0101134937373322
Energy: 0.9471200563619211
Energy: 0.9951259273161873
Energy: 0.9476633988463528
Energy: 0.9363659633712781
Energy: 1.0570944990905327
Energy: 0.9462477398036956
Energy: 1.144452092870957
Energy: 0.9458316693997217
Energy: 0.9380677709725982

minimum gb energy = 0.9076845311740397 eV
minimum distance =  2.32669736912785 Angstroms
sigma value = 33