Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6473073810338983
cohesive_energy=4.1514735882010125
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 0.0, 2.7774533038707e-21, 1.0382729437207259e-19, 2.5036413171201e-19, 3.75348328753716e-19, 4.6550441012553e-19, 5.233237604933219e-19, 5.542970391818099e-19, 5.7220937394993e-19, 5.88013244267706e-19, 6.019201374508259e-19, 6.14103088575762e-19, 6.24709497892842e-19, 6.3386113082624995e-19, 6.41666935387098e-19, 6.48215031290256e-19, 6.535903338973259e-19, 6.578617368035699e-19, 6.610933270743479e-19, 6.633427830684839e-19, 6.646581700849979e-19, 6.6508755342291e-19, 6.646245243756839e-19, 6.631280913995279e-19, 6.60407595474996e-19, 6.562419362265959e-19, 6.503587436265479e-19, 6.424359801714179e-19, 6.3208271476251e-19, 6.188231009395259e-19, 6.02077150760958e-19, 5.81002119317322e-19, 5.52515418764802e-19, 5.1395583371432395e-19, 4.64419736544312e-19, 4.0325824571799595e-19, 3.29577346673604e-19, 2.416082364072e-19, 1.3621064871614399e-19, 8.601493542591419e-21, -1.477492043988852e-19, -3.4521298844481e-19, -5.99861340476136e-19, -9.32925023505324e-19, -1.436897694613194e-18, -2.21840581096908e-18, -3.24051439462938e-18, -4.576777772684399e-18, -6.56919656942778e-18, -9.898103048954939e-18, -1.577701783739016e-17, -2.7572819000486398e-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: 0.019262863348857264
Energy: 0.019993886528835197
Energy: 1.323295735350189
Energy: 1.326084265137656
Energy: 1.4697665399548447
Energy: 0.4577050532586274
Energy: 0.02001353803400833
Energy: 0.019993520036254712
Energy: 1.1584417935589957
Energy: 0.38663789518127845
Energy: 1.0838124085743888
Energy: 0.9215746354668153
Energy: 0.020584308077367875
Energy: 0.11100073270840512
Energy: 0.019760539318693454
Energy: 0.8084599166499964
Energy: 0.8334404077736063
Energy: 1.141695758623824
Energy: 0.820019051186515
Energy: 0.10890955918294243
Energy: 0.11076290692116358
Energy: 0.02252219444548959
Energy: 1.1992703168621632
Energy: 0.831475260270207
Energy: 1.3255206962049413
Energy: 1.4712255742794185
Energy: 0.10897266609684692
Energy: 0.02039062712867539
Energy: 0.45781641692717767
Energy: 1.4896811321898518
Energy: 0.3862094365822954
Energy: 1.0823660730775995
Energy: 0.9226865005113418
Energy: 0.02034540760434803
Energy: 0.11140857165692686
Energy: 0.019603919199686258
Energy: 0.8072101047751201
Energy: 0.8330584839824507
Energy: 0.920776654380249
Energy: 1.1684939220973614
Energy: 0.10835598667202526
Energy: 0.11069138914424272

minimum gb energy = 0.019262863348857264 eV
minimum distance =  2.55464630166405 Angstroms
sigma value = 5


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

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Energy: 1.8432329998702726
Energy: 1.7281347202887354
Energy: 1.9770477170963334
Energy: 1.853162264593002
Energy: 1.7216828324574218
Energy: 1.7834321088204674
Energy: 1.6754650529424444
Energy: 1.652928273674903
Energy: 1.746155457114098
Energy: 1.7917950308592765
Energy: 1.74652485519629
Energy: 1.6765509085489445
Energy: 1.6436411117127656
Energy: 1.7464617602407275
Energy: 1.6350269503845933
Energy: 1.7040551482769113
Energy: 1.6828458373098394
Energy: 1.6995313713543627
Energy: 1.677080739769154
Energy: 1.7277153535103302
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Energy: 1.8019395229057418
Energy: 1.6250846765743165
Energy: 1.6427778485883777
Energy: 1.6636605913051519
Energy: 1.69145092717716
Energy: 1.7983868288179166
Energy: 1.7054987211062482
Energy: 1.7547040187146685
Energy: 1.5761231225930865
Energy: 1.5896598249867355
Energy: 1.6192287136778318
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Energy: 1.670340537573811
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Energy: 1.8079707231605224
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Energy: 1.6786851710253605
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Energy: 1.6714277501068024
Energy: 1.6458844530812053
Energy: 1.623327385079543
Energy: 1.6188858467156728
Energy: 1.722490506437562
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Energy: 1.570516650355991
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Energy: 1.658600300806968
Energy: 1.6665509705917803
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Energy: 1.7066961420020956
Energy: 1.6747140106358411
Energy: 1.5911893297623623
Energy: 1.6457217146612453
Energy: 1.725788583435519
Energy: 1.7287296239203873
Energy: 1.7105890811772948
Energy: 1.737858265199007
Energy: 1.604489336109215
Energy: 1.6153869340876355
Energy: 1.5714029523402981
Energy: 1.683372271432135
Energy: 1.7910224977570202
Energy: 1.5055041406044825
Energy: 1.6722995737684645
Energy: 1.7122186970701083
Energy: 1.6186467085371505
Energy: 1.6284597103998721
Energy: 1.7350161366650614
Energy: 1.7367483278640297
Energy: 1.6688045717146927
Energy: 1.639196241949094
Energy: 1.752434688824524
Energy: 1.7958430971525836
Energy: 1.7675029060282212
Energy: 1.6458896018846483
Energy: 1.6050549926716433
Energy: 1.573937491450832
Energy: 1.6579960293441294
Energy: 1.7950264673962883
Energy: 1.8923471014645006
Energy: 1.6958378796642395
Energy: 1.6880043362285713
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Energy: 1.645220169411318
Energy: 1.7496252120111424
Energy: 1.8409243913003566
Energy: 1.7937710926659611
Energy: 1.6737223368274012
Energy: 1.6918899434669645

minimum gb energy = 1.430758491064017 eV
minimum distance =  2.26369371513106 Angstroms
sigma value = 401


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

Energy: 1.5628275814870054
Energy: 1.6759340340527469
Energy: 1.724964212500688
Energy: 1.9837576408656548
Energy: 1.9328258367378635
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Energy: 1.6775116514008266
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Energy: 1.9865675720655331
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Energy: 1.8432068958447507
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Energy: 1.765389776781147
Energy: 1.8552801429632984
Energy: 1.6965091408403334
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Energy: 1.728996892128035
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Energy: 1.6500983725045835
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Energy: 1.661854427783281
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Energy: 1.6074716951080206
Energy: 1.7018926805922319
Energy: 1.903556809690715
Energy: 1.743026008537509
Energy: 1.9038745552612584
Energy: 1.7493005846695329
Energy: 1.5947177638503476
Energy: 1.5050626789560275
Energy: 1.6770171758445414
Energy: 1.9554880779231667
Energy: 1.7880884899749239
Energy: 1.7954840497318618
Energy: 1.7498856380305083
Energy: 1.6207830798226917
Energy: 1.5924849967775196
Energy: 1.6636072549993959
Energy: 1.8062039108406016
Energy: 1.5728892880199425
Energy: 1.6735331854996573
Energy: 1.8286625970386692
Energy: 1.8346532995108906
Energy: 1.7005886769430762
Energy: 1.7225412936959277
Energy: 1.6124093974069302
Energy: 1.4956696728697914
Energy: 1.5353727371028623
Energy: 1.7481084619673637
Energy: 2.0697569896110974
Energy: 1.832332144355907
Energy: 1.6282466278104615
Energy: 1.5840571954846272
Energy: 1.5478420054691184
Energy: 1.5595812498932962
Energy: 1.8426900758848064
Energy: 2.048076448315761
Energy: 1.861472755338366
Energy: 1.7567822856226791
Energy: 1.567058395753286
Energy: 1.5302604869585477
Energy: 1.5274432180840811
Energy: 1.6802544757191287
Energy: 2.000596073977456
Energy: 1.9498144991224482
Energy: 1.6940212282534495
Energy: 1.555399202763933
Energy: 1.5118754221459096
Energy: 1.6614417222323783
Energy: 1.5994377603294452
Energy: 1.7938573500272492
Energy: 1.9250527399655606
Energy: 1.6958252016787776
Energy: 1.5863691013213859
Energy: 1.731747172919949
Energy: 1.644511537227013
Energy: 1.658796095766033
Energy: 1.6364582569879484
Energy: 1.6902028414320114
Energy: 1.78145971586048
Energy: 1.7852908039613546
Energy: 1.686432975387554
Energy: 1.773301183251467
Energy: 1.6331170427660608
Energy: 1.605895039408033
Energy: 1.618244250840835
Energy: 1.8003252457083059
Energy: 1.7380760250922562
Energy: 1.7081822117410654
Energy: 2.0725723570836565
Energy: 1.6925730160764438
Energy: 1.5450700117558513
Energy: 1.6939008781412568
Energy: 1.764327747841136
Energy: 1.9337752395668881
Energy: 1.8205040477854202
Energy: 1.7357886667016702
Energy: 1.7449749396539669
Energy: 1.5866983108235417
Energy: 1.537064233200224
Energy: 1.70351213382296
Energy: 1.7214608066215271
Energy: 1.7977028358243141
Energy: 1.817645990593325
Energy: 1.7317318292752446
Energy: 1.6851482536814628
Energy: 1.5755418600696263
Energy: 1.654964185472505
Energy: 1.7973735915412574
Energy: 1.5500866411893621
Energy: 1.7293436202120003
Energy: 1.8211518914769003
Energy: 1.7734902764515834
Energy: 1.7769930392810367
Energy: 1.6902730322694604
Energy: 1.6296954189915156
Energy: 1.5815595988554705
Energy: 1.5381972443712286
Energy: 1.737811777481546
Energy: 2.0111840858895924
Energy: 1.8039415065107967
Energy: 1.6487752931347577
Energy: 1.6050103879085704
Energy: 1.580630002541055
Energy: 1.714783925394706
Energy: 1.8158352500861321
Energy: 1.9596006805108972
Energy: 1.958947287782478
Energy: 1.6934644333755708
Energy: 1.5206054322813924

minimum gb energy = 1.4242679026201073 eV
minimum distance =  2.25489248724034 Angstroms
sigma value = 311


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

Energy: 1.6230033936629962
Energy: 1.8149459527522667
Energy: 1.7676535563343327
Energy: 1.833283698375045
Energy: 1.6057481635365034
Energy: 1.6090772092628582
Energy: 1.6992226267080421
Energy: 1.6093406159351498
Energy: 1.7206080312965804
Energy: 1.775447114735288
Energy: 1.653434053092035
Energy: 1.6459156802722539
Energy: 1.618209462498255
Energy: 1.648024531185612
Energy: 1.7033034869929506
Energy: 1.6787440131661218
Energy: 1.7574833938600851
Energy: 1.596663607100369
Energy: 1.664709803711214
Energy: 1.6496954885065815
Energy: 1.6706051167035558
Energy: 1.6760924868736646
Energy: 1.7216808974253397
Energy: 1.6243764910690708
Energy: 1.7372978547911655
Energy: 1.7435944989958623
Energy: 1.6308682960795335
Energy: 1.820902779484208
Energy: 1.6647919160644864
Energy: 1.7435650619341585
Energy: 1.6704204995245053
Energy: 1.655309897388151
Energy: 1.7675983996408065
Energy: 1.7251624613235386
Energy: 1.6880920872826493
Energy: 1.762228226432068
Energy: 1.5903544507894507
Energy: 1.6421680880913623
Energy: 1.8348823802165721
Energy: 1.7044037776200087
Energy: 1.7187653453878942
Energy: 1.6381011637977814
Energy: 1.6561437075856842
Energy: 1.6148853440122473
Energy: 1.6310622148839453
Energy: 1.7398772128703939
Energy: 1.7468957335393136
Energy: 1.6737824513768473
Energy: 1.74779041223434
Energy: 1.5507028542519965
Energy: 1.6638577214304793
Energy: 1.6931722071515536
Energy: 1.6421841419113434
Energy: 1.6916892028334614
Energy: 1.7381913191264267
Energy: 1.618033916189556
Energy: 1.6890675196706182
Energy: 1.616912475752352
Energy: 1.7730601078660644
Energy: 1.637054393559211
Energy: 1.7377707210529745
Energy: 1.6576621075834888
Energy: 1.5408896786252566
Energy: 1.6125557794462069
Energy: 1.7018119899466506
Energy: 1.6677763728030375
Energy: 1.7258324979950865
Energy: 1.6675136339086083
Energy: 1.5998062962173427
Energy: 1.6437016950233652
Energy: 1.6148677988895823
Energy: 1.8307747241352015
Energy: 1.7107775678256578
Energy: 1.742475310319318
Energy: 1.7448595577930748
Energy: 1.6858153981594808
Energy: 1.6244133611863854
Energy: 1.6551378064512257
Energy: 1.618421398095748
Energy: 1.6822359781035747
Energy: 1.7086923815105286
Energy: 1.7199922473316616
Energy: 1.7703105949544973
Energy: 1.613466393763571
Energy: 1.6785256993436912
Energy: 1.6182279603106549
Energy: 1.6368848505702862
Energy: 1.6912864354818002
Energy: 1.7351958520355677
Energy: 1.6644694091639711
Energy: 1.720904368826961
Energy: 1.6123942564291092
Energy: 1.5893895383554213
Energy: 1.6423683277225691
Energy: 1.6376162978880069
Energy: 1.6799395669927433
Energy: 1.712243544723269
Energy: 1.7117805553221284
Energy: 1.7338131773928624
Energy: 1.5761170949687093
Energy: 1.6047952546119126
Energy: 1.6236901164607638
Energy: 1.7445071930741605
Energy: 1.766539101336374
Energy: 1.603727368258058
Energy: 1.6028802534525932
Energy: 1.622374235534438
Energy: 1.6223144955725544
Energy: 1.7224212729629003
Energy: 1.71758129485237
Energy: 1.7303050824736372
Energy: 1.6741258694271675
Energy: 1.7523292605403045
Energy: 1.7407202085837936
Energy: 1.74154384466368
Energy: 1.7385324062434138
Energy: 1.6976498038661443
Energy: 1.6997835256428
Energy: 1.6741809650520203
Energy: 1.784245621037072
Energy: 1.7441797442295823
Energy: 1.7560384442132888
Energy: 1.60204473704673
Energy: 1.6358592367517042
Energy: 1.7057894037950239
Energy: 1.603434104578645
Energy: 1.677701204431734
Energy: 1.6809528506437785
Energy: 1.642495534416894
Energy: 1.712187476424482
Energy: 1.725126545509993
Energy: 1.6950049259433013
Energy: 1.7513413862386638
Energy: 1.620411534379116
Energy: 1.6019870418385314
Energy: 1.725049115243784
Energy: 1.6555997743433715
Energy: 1.6310622112190711
Energy: 1.6507880689187122
Energy: 1.7076588494126155
Energy: 1.6806501553665378
Energy: 1.5848279447215754
Energy: 1.7074213865916072
Energy: 1.709930076209803
Energy: 1.7164002305988681
Energy: 1.6069264167458022
Energy: 1.7118293323673381
Energy: 1.6224320593112729
Energy: 1.7124576694511664
Energy: 1.7049151648122545
Energy: 1.6762415677396756
Energy: 1.590986799746463
Energy: 1.7603802691701564
Energy: 1.637641784275132
Energy: 1.7443002571343396
Energy: 1.7124145123945067
Energy: 1.6552813211762754
Energy: 1.6870024239826185
Energy: 1.7319019160775904
Energy: 1.7712076946897175
Energy: 1.988655995407799
Energy: 1.797365484575963
Energy: 1.6643224426311631
Energy: 1.791221449758706
Energy: 1.6446793360181329
Energy: 1.5925820509285913
Energy: 1.7524163658815428
Energy: 1.6439816702783316
Energy: 1.722848651849789
Energy: 1.6351880200632292
Energy: 1.675225984373621
Energy: 1.56833344445021
Energy: 1.7071353048222941
Energy: 1.6512507147553805
Energy: 1.662186041499705
Energy: 1.618502930615829
Energy: 1.7123550691519362
Energy: 1.7169762766218497
Energy: 1.6663095281069085
Energy: 1.6720906870949157
Energy: 1.704597969634223
Energy: 1.7324571565820004
Energy: 1.6564503788788079
Energy: 1.6484552435444133
Energy: 1.6861888742879176
Energy: 1.6642205433263537
Energy: 1.6882489816738062
Energy: 1.6256561611313514
Energy: 1.620951000945202
Energy: 1.7332743995135063
Energy: 1.7002016076528748
Energy: 1.737849807510892
Energy: 1.668969402981681
Energy: 1.6439706110626422
Energy: 1.6588217807508954
Energy: 1.6246483516844141
Energy: 1.6722824089596546
Energy: 1.8643226797599164
Energy: 1.7270120976431682
Energy: 1.730772670517169
Energy: 1.7193775725493017
Energy: 1.7429825681579931
Energy: 1.6948103564403236
Energy: 1.717243857163727
Energy: 1.692141314241046
Energy: 1.6717175299827005
Energy: 1.5779976490083008
Energy: 1.6241445697756465
Energy: 1.6400932638813162
Energy: 1.7476801064020628
Energy: 1.8096087238361604
Energy: 1.6517296022826033
Energy: 1.7504957320902856
Energy: 1.6322596738035344
Energy: 1.6621489167486607
Energy: 1.7462040155120493
Energy: 1.6734148506818605
Energy: 1.6841440420625413
Energy: 1.6353271771937674
Energy: 1.631449719123387
Energy: 1.6170523733258035
Energy: 1.6916647500154027
Energy: 1.6748506819582238
Energy: 1.7040709257318016
Energy: 1.6490766726077861
Energy: 1.6032648698706453
Energy: 1.5915509531468046
Energy: 1.6917776679091432
Energy: 1.6327069373005165
Energy: 1.6928070093582812
Energy: 1.685979109736342
Energy: 1.7009319094656075
Energy: 1.6893702414955711
Energy: 1.7254884918599143
Energy: 1.6957525335873893
Energy: 1.6438955962292907
Energy: 1.6431599933886258
Energy: 1.6249920477187554
Energy: 1.6904683966134983
Energy: 1.9219462457628214
Energy: 1.7911066214320086
Energy: 1.7304281744505452
Energy: 1.6379714461164814
Energy: 1.635410134057314
Energy: 1.6133667996967638
Energy: 1.6754811592839405
Energy: 1.8190619160827135
Energy: 1.7852840165673478
Energy: 1.7083582866792206
Energy: 1.7038994838481516
Energy: 1.6103733899719348
Energy: 1.6386507124767316

minimum gb energy = 1.5408896786252566 eV
minimum distance =  2.26255004159504 Angstroms
sigma value = 39


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

Energy: 1.3737903959192963
Energy: 1.5169522475091834
Energy: 1.8231691696687997
Energy: 1.8436846316628432
Energy: 1.6406894054354533
Energy: 1.7261113691153258
Energy: 1.4027183786097581
Energy: 1.4191869539050754
Energy: 1.454449272167677
Energy: 1.532395089165689
Energy: 1.5422533292042502
Energy: 1.4695470216954087
Energy: 1.4776461300873658
Energy: 1.735540346274451
Energy: 2.3152688020856513
Energy: 1.457323123881589
Energy: 1.6463258484679257
Energy: 1.4885256314596518
Energy: 1.5107429148282634
Energy: 1.5528054157089457
Energy: 1.6231966806818319
Energy: 1.437000397400788
Energy: 1.5440758281428035
Energy: 1.5600604097816215
Energy: 1.493667902391565
Energy: 1.5439578401672938
Energy: 1.5705668880074757
Energy: 1.6337861337583077
Energy: 1.4816833014474136
Energy: 1.449578923532941
Energy: 1.5668743245192094
Energy: 1.5143329937833105
Energy: 1.7966197770205352
Energy: 1.8941538124118311
Energy: 1.513292022684337
Energy: 1.4204609281127432
Energy: 1.4697778382552673
Energy: 1.894065679893815
Energy: 1.98153498885249
Energy: 1.4780144131326434
Energy: 1.4828456396895575
Energy: 1.634442570136666
Energy: 1.7375980987390909
Energy: 1.825852339174046
Energy: 1.903675408694212
Energy: 1.7742637479545544
Energy: 1.3986890518312793
Energy: 1.4360648779280487
Energy: 1.726060368533827
Energy: 1.4182296460515318
Energy: 1.476684706460066
Energy: 1.8372730350294786
Energy: 1.4174632932395228
Energy: 1.550604136040613
Energy: 1.6103546073179944
Energy: 1.5515086633306043
Energy: 1.4202308390778744
Energy: 1.498086628398273
Energy: 1.787333692410234
Energy: 1.4837113287804071
Energy: 1.5726005670377678
Energy: 1.6010880969919787
Energy: 1.6704066969660127
Energy: 1.738775704806627
Energy: 1.7509971051682427
Energy: 1.6259686195903291
Energy: 1.5179460318260738
Energy: 1.4572473193010689
Energy: 1.55976070424973
Energy: 1.743548617282649
Energy: 1.4622650830799246
Energy: 1.413620245943954
Energy: 1.5112893878074156
Energy: 1.6297229637836352
Energy: 1.4658835989820314
Energy: 1.5610204328313362
Energy: 1.6072820887016939
Energy: 1.5081513762929124
Energy: 1.4551781169558335
Energy: 1.6109267244580963
Energy: 1.5414644245101237
Energy: 1.7879583136914246
Energy: 1.7739722224029233
Energy: 1.6941568917379544
Energy: 1.3836939613990638
Energy: 1.436160734894082
Energy: 1.5749107532266393
Energy: 1.4894324409430884
Energy: 1.5486876017682882
Energy: 1.7376902285619198
Energy: 1.5040671190577939
Energy: 1.750988956250511
Energy: 1.4491274088851385
Energy: 1.7243939944123878
Energy: 1.8123375661928183
Energy: 1.4047639114445227
Energy: 1.4117325475868527
Energy: 1.6440764640762127
Energy: 1.4185240497764293
Energy: 1.6018319805843995
Energy: 1.8351509728717217
Energy: 1.7510358649410847
Energy: 1.409263580554918
Energy: 1.3962886703950037
Energy: 1.6452366551847573
Energy: 1.373871082799611
Energy: 1.6997878605427654
Energy: 1.8283070344810888
Energy: 1.8152397722505453
Energy: 1.645248511538962
Energy: 1.7247135726133094
Energy: 1.4024007267914909
Energy: 1.4736208948285139
Energy: 1.4513603717775254
Energy: 1.645540282551434
Energy: 1.5414153893820912
Energy: 1.4685757458564903
Energy: 1.4807075572517523
Energy: 1.7355365763818074
Energy: 2.3146653348455364
Energy: 1.4566694442907058
Energy: 1.6460964267529055
Energy: 1.5169181275666386
Energy: 1.497285526639494
Energy: 1.5530738467635625
Energy: 1.6781105907595708
Energy: 1.4370128505943303
Energy: 1.7016340000891452
Energy: 1.5604380003501486
Energy: 1.495032886006416
Energy: 1.5443156135092848
Energy: 1.58088507665912
Energy: 1.6401322129738505
Energy: 1.4816148003839573
Energy: 1.452913423968193
Energy: 1.5672857860421296
Energy: 1.5144375513439365
Energy: 1.8179244222007533
Energy: 1.8943000408117656
Energy: 1.5132438429955002
Energy: 1.4106102321082485
Energy: 1.629380992832662
Energy: 1.8950464418632618
Energy: 1.9434560226804873
Energy: 1.5232417662218465
Energy: 1.4158997077565394
Energy: 1.635331420065619
Energy: 1.7474833716853113
Energy: 1.8248242991478318
Energy: 1.9070704753663883
Energy: 1.7748377778818503
Energy: 1.3990252717446459
Energy: 1.4363086988812053
Energy: 1.723994907746968
Energy: 1.3996614451810394
Energy: 1.4767272770196418
Energy: 1.8559051786200713
Energy: 1.4174072494005192
Energy: 1.5500210951233502
Energy: 1.6051700573933425
Energy: 1.551617254055319
Energy: 1.4141994224997194
Energy: 1.4987709142782337
Energy: 1.787128219636056
Energy: 1.4839477762658708
Energy: 1.5736330853399658
Energy: 1.5993237873764197
Energy: 1.6607770740723844
Energy: 1.739423464985063
Energy: 1.7532085508529018
Energy: 1.6256921335443173
Energy: 1.516578813341575
Energy: 1.45595273248479
Energy: 1.5494096653043354
Energy: 1.6831600029219405
Energy: 1.4669972235626405
Energy: 1.4585656339266926
Energy: 1.5112369711438574
Energy: 1.6304510950192646
Energy: 1.466486035730998
Energy: 1.5789214501554147
Energy: 1.6085649787384162
Energy: 1.5078762473701839
Energy: 1.4763057756826234
Energy: 1.6113415493066243
Energy: 1.5425056414608849
Energy: 1.7828996653734266
Energy: 1.773260282212147
Energy: 1.6942550013166737
Energy: 1.3983212023580769
Energy: 1.435893655767997
Energy: 1.60112414572565
Energy: 1.4905374668283151
Energy: 1.5368353643939905
Energy: 1.7007531100652977
Energy: 1.5049911295459717
Energy: 1.750987179754823
Energy: 1.4982216205121421
Energy: 1.7247871847289016
Energy: 1.816878830381102
Energy: 1.4132484296266656
Energy: 1.4111853629856113
Energy: 1.64432070404966
Energy: 1.3982149407315156
Energy: 1.6011794292682
Energy: 1.6840824321705865
Energy: 1.9142506593185213
Energy: 1.406343530608386
Energy: 1.3948859206338855
Energy: 1.645773737552915

minimum gb energy = 1.3737903959192963 eV
minimum distance =  2.26035788175811 Angstroms
sigma value = 21


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

Energy: 1.6619473204412158
Energy: 1.7648262583750696
Energy: 1.7979103990598688
Energy: 1.898357187866682
Energy: 1.7054173228737013
Energy: 1.631525634731851
Energy: 1.7590066894912784
Energy: 1.7027028507919277
Energy: 1.9067376546749581
Energy: 1.8194556327513238
Energy: 1.7947550409888235
Energy: 1.720720459464182
Energy: 1.7761532040568697
Energy: 1.7899140751597775
Energy: 1.7612121889648908
Energy: 1.6967930695118583
Energy: 1.606495383240042
Energy: 1.7407118092739737
Energy: 1.7025181834655672
Energy: 1.7339502562567215
Energy: 1.7506983439243007
Energy: 1.756560975753884
Energy: 1.8543607529153197
Energy: 1.5539015911240428
Energy: 1.7481248838124928
Energy: 1.5614541562945312
Energy: 1.5037569186400697
Energy: 1.7453862301730134
Energy: 1.6465047531238104
Energy: 1.531341531769336
Energy: 1.6389127807846637
Energy: 1.6479677780422495
Energy: 1.6689088374650112
Energy: 1.7359234760116948
Energy: 1.6392594730913648
Energy: 1.5449825777494084
Energy: 1.5330359716568522
Energy: 1.6355996090316318
Energy: 1.7502812955320868
Energy: 1.6568300397510358
Energy: 1.8116850008039274
Energy: 1.6082683951096908
Energy: 1.796287132079432
Energy: 1.9312921385110233
Energy: 1.5027548682524903
Energy: 1.5868500915865846
Energy: 1.4076563029979148
Energy: 1.4150334302805319
Energy: 1.7361498016242884
Energy: 1.6574123562047152
Energy: 1.4878108563690837
Energy: 1.5922008370955083
Energy: 1.7548063519605968
Energy: 1.6485346858166678
Energy: 1.6379641462094803
Energy: 1.6738599435720838
Energy: 1.6322725987274131
Energy: 1.719684623762318
Energy: 1.6763472721082129
Energy: 1.7615756493988268
Energy: 1.6971439684129583
Energy: 1.9088829143227954
Energy: 1.8089896242624453
Energy: 1.696165847557458
Energy: 1.7436916817333876
Energy: 1.601528194287923
Energy: 1.6409379695934327
Energy: 1.6574204614295942
Energy: 1.7439283325251835
Energy: 1.7773775361378041
Energy: 1.6982138754704847
Energy: 1.8092849423910902
Energy: 1.5859815340628445
Energy: 1.9953197988541775
Energy: 1.704592139595996
Energy: 1.7568544684080722
Energy: 1.7722287570314808
Energy: 1.7389317824960573
Energy: 1.711468449464989
Energy: 1.9278476110671663
Energy: 1.9442555778275077
Energy: 1.812441172646375
Energy: 1.6597643632278585
Energy: 1.8071273731083686
Energy: 1.6481127636462842
Energy: 1.925091209342778
Energy: 1.790881604831467
Energy: 1.7028390865186878
Energy: 1.6425536955949078
Energy: 1.6178923746991785
Energy: 1.7263027795476054
Energy: 1.7034523193163533
Energy: 1.7371023866514237
Energy: 1.968701135536144
Energy: 1.7022491296220412
Energy: 1.7231834188346173
Energy: 1.7063588456652434
Energy: 1.8257553952879781
Energy: 1.7165931527690266
Energy: 1.6839405935397538
Energy: 1.6489663229872973
Energy: 1.7301056496752423
Energy: 1.6920386944149648
Energy: 1.7231376357445103
Energy: 1.8850269965871773
Energy: 1.8866720601844347
Energy: 1.717645498377879
Energy: 1.5861774448112074
Energy: 1.678591488452794
Energy: 1.5747675970057626
Energy: 1.646127033878865
Energy: 1.8089933709608088
Energy: 1.6791933734193545
Energy: 1.6695619496531815
Energy: 1.616825036673947
Energy: 1.5102748600005187
Energy: 1.68619883257456
Energy: 1.7332108988154622
Energy: 1.6531163307366006
Energy: 1.4985143136662267
Energy: 1.448717304384711
Energy: 1.699228776137993
Energy: 1.6782955072977728
Energy: 1.9197757532282818
Energy: 1.8950097154357823
Energy: 1.6629085106558266
Energy: 1.735413746518226
Energy: 1.6958756086016873
Energy: 1.7864361813936243
Energy: 1.5440297358377
Energy: 1.4221355558531317
Energy: 1.472600678470434
Energy: 1.654823843137105
Energy: 1.8801660334309567
Energy: 1.7081348446828337
Energy: 1.662483853350869
Energy: 1.5808417032883948
Energy: 1.4510349666677673
Energy: 1.5138423902949538
Energy: 1.718287222596261
Energy: 1.5781393295493664
Energy: 1.768595973295527
Energy: 1.681144990126589
Energy: 1.8005034760345668
Energy: 1.7338789812951072
Energy: 1.7990557566111596
Energy: 1.8750135507244556
Energy: 1.6922508646185046
Energy: 1.777896680005583
Energy: 1.6070872540218932
Energy: 1.6216982544454481
Energy: 1.78311456855613
Energy: 1.7406885506248067
Energy: 1.7965494078743185
Energy: 1.7022235847419156
Energy: 1.8187927451892223
Energy: 1.802925941467909
Energy: 1.8258375058013183
Energy: 1.644954058137563
Energy: 1.6921573716702758
Energy: 1.8395011772036494
Energy: 1.7450335763754494
Energy: 1.9436555571142535
Energy: 1.7742458515135862
Energy: 1.8962468109635864
Energy: 1.6726972436105079
Energy: 1.6707685586930907
Energy: 1.8671610171105995
Energy: 1.7051829868120785
Energy: 1.715533684076413
Energy: 2.060653621958621
Energy: 1.7892238465545043
Energy: 1.620156077919953
Energy: 1.63074407658647
Energy: 1.8373464613428918

minimum gb energy = 1.4076563029979148 eV
minimum distance =  2.26573293859735 Angstroms
sigma value = 113


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

Energy: 1.6039695136371623
Energy: 2.1151636351254504
Energy: 1.7762866681405494
Energy: 1.819811046994229
Energy: 1.8087654783309433
Energy: 1.7367218341656416
Energy: 1.9567204562413794
Energy: 1.860651880264827
Energy: 1.900335692837184
Energy: 1.8658425389809954
Energy: 1.9395095756669214
Energy: 1.8575290171824037
Energy: 1.8337400056102142
Energy: 1.9043879652131466
Energy: 1.9433904311977732
Energy: 1.7645382466342203
Energy: 1.6655130207233073
Energy: 1.7942898314258768
Energy: 1.760362126390558
Energy: 1.6382215891774226
Energy: 1.9232215302035733
Energy: 1.7257892335606075
Energy: 1.9310756107976192
Energy: 1.6769485764639003
Energy: 1.7448964591988823
Energy: 1.7372950161559675
Energy: 1.659630117205601
Energy: 1.9753010749082518
Energy: 1.6415700622820608
Energy: 1.7064324653571887
Energy: 1.7200318900718186
Energy: 1.7025433793139138
Energy: 1.724897560867312
Energy: 1.8379209261292484
Energy: 1.7055722832092395
Energy: 1.5106128793256899
Energy: 1.7864108082578334
Energy: 1.6419956615539786
Energy: 1.82998813640401
Energy: 1.6669627590408045
Energy: 1.6257532091058051
Energy: 1.7571681343576218
Energy: 1.7583296185601773
Energy: 1.6536524379696709
Energy: 1.8289681669725932
Energy: 1.534664686555741
Energy: 1.6295032179531974
Energy: 1.7760014487738969
Energy: 1.7266754335375767
Energy: 1.895489533883342
Energy: 1.6116260554278357
Energy: 1.745640553206071
Energy: 1.7778932025328693
Energy: 1.739034954854806
Energy: 1.7433227125116864
Energy: 1.6112473524500075
Energy: 1.663240513502117
Energy: 1.7662704391979405
Energy: 1.7126790800197769
Energy: 1.743075605283463
Energy: 1.6821651828682171
Energy: 1.7446211801132285
Energy: 1.7873324291108348
Energy: 1.6195312791530274
Energy: 1.7257241417446214
Energy: 1.707308061236379
Energy: 1.8094261208306732
Energy: 1.8728457397223777
Energy: 1.8260734566430943
Energy: 1.6720486773373737
Energy: 1.7166047319222146
Energy: 1.684744924774039
Energy: 1.7465327160340025
Energy: 1.845406122380112
Energy: 1.730261703724918
Energy: 1.6976968730690718
Energy: 1.708390973359578
Energy: 1.7418543354069482
Energy: 1.991832668964482
Energy: 1.7357970966359308
Energy: 1.6910719023230953
Energy: 1.6499248719539437
Energy: 1.631189272879927
Energy: 1.8348208972971607
Energy: 1.829006526865053
Energy: 1.5797720345216308
Energy: 1.640937958912658
Energy: 1.7550325986214463
Energy: 1.71200126956488
Energy: 1.667053579120772
Energy: 1.6806050565367872
Energy: 1.6965534383500829
Energy: 1.6714226024301138
Energy: 1.6074659236387305
Energy: 1.7834736058197174
Energy: 1.791033372454003
Energy: 1.866310141045378
Energy: 1.6202825694641905
Energy: 1.5430973231157383
Energy: 1.7848412120591781
Energy: 1.641630883328955
Energy: 1.7267790822776723
Energy: 1.7833713882373359
Energy: 1.747608045801054
Energy: 1.7555704701480441
Energy: 1.6266166313211403
Energy: 1.5996891180275896
Energy: 1.8196972408998127
Energy: 1.7660394424958719
Energy: 1.7623248548427448
Energy: 1.7558755772888028
Energy: 1.7065990444531711
Energy: 1.8040854206241286
Energy: 1.80447244404488
Energy: 1.697424767762964
Energy: 1.693901025231153
Energy: 1.6442557653970897
Energy: 1.6459781022210258
Energy: 1.5803427069515341
Energy: 1.5754688792810974
Energy: 1.7523860206725583
Energy: 1.6098724373912299
Energy: 1.737458826546164
Energy: 1.650213886132723
Energy: 1.655814177681333
Energy: 1.878607936884696
Energy: 1.808128792659279
Energy: 1.7734382505646475
Energy: 1.7689922079804163
Energy: 1.7426653748783942
Energy: 1.8854975162554148
Energy: 1.8629995697266364
Energy: 1.8074208218664574
Energy: 1.6369972587858503
Energy: 2.009409838017724
Energy: 1.6600198483355029
Energy: 1.8060058208411427
Energy: 1.7926195754513659
Energy: 1.7381668705296922
Energy: 1.9436677565404412
Energy: 1.8479894821172442
Energy: 1.8811683564728474
Energy: 1.7992032393656754
Energy: 1.909488684823503
Energy: 1.7700692277739378
Energy: 1.6292312078308329
Energy: 1.8990919221609615
Energy: 1.8818648410353749
Energy: 1.963607683932005
Energy: 1.8462088576350084
Energy: 1.9860035514441041
Energy: 1.797698832169016
Energy: 1.6058702258219077
Energy: 1.9018199247535348
Energy: 1.6031206368167799
Energy: 2.045439760290855
Energy: 1.772985952375966
Energy: 1.817121993484307
Energy: 1.8176001270660616
Energy: 1.7131138093151246
Energy: 1.9551153832095036
Energy: 1.8752507443762128
Energy: 1.8938451890143086
Energy: 1.8499153641948207
Energy: 1.9199070731414727
Energy: 1.8604435664175423
Energy: 1.8206485657784293
Energy: 1.9049074975179372
Energy: 1.6409242283015857
Energy: 1.7645165286250175
Energy: 1.6639229860602653
Energy: 1.8022626682748886
Energy: 1.6701370542782221
Energy: 1.6335324519772907
Energy: 1.936204094151087
Energy: 1.7262318303671746
Energy: 1.8975360420087088
Energy: 1.6573969937954909
Energy: 1.7413960322320516
Energy: 1.7213916297758858
Energy: 1.6588890434069956
Energy: 1.9332110919429801
Energy: 1.6627837432256565
Energy: 1.70610103199603
Energy: 1.8020457148625957
Energy: 1.6617011507850854
Energy: 1.7208607039286108
Energy: 1.8499863060856798
Energy: 1.7083358816156287
Energy: 1.5094633747143074
Energy: 1.785000121865385
Energy: 1.667034103024412
Energy: 1.8353378963014182
Energy: 1.7567681948897558
Energy: 1.7133713377489586
Energy: 1.744317166713729
Energy: 1.7589324813270406
Energy: 1.5949481450595502
Energy: 1.894464199201703
Energy: 1.6700757923083551
Energy: 1.67115922517132
Energy: 1.7785661751380377
Energy: 1.7045967851127082
Energy: 1.9153401695796006
Energy: 1.6084739118326727
Energy: 1.6783996303612811
Energy: 1.776711638875882
Energy: 1.7390507710471845
Energy: 1.6482814315504535
Energy: 1.753555309523187
Energy: 1.650100613123416
Energy: 1.650194606564383
Energy: 1.712956696919844
Energy: 1.811593276779464
Energy: 1.7104635139567321
Energy: 1.7270433623401338
Energy: 1.7125805146673774
Energy: 1.709986088442015
Energy: 1.7076305325740981
Energy: 1.6817133866812495
Energy: 1.811362531961122
Energy: 1.831227318728173
Energy: 1.8097738419471259
Energy: 1.576274635563462
Energy: 1.693824163930895
Energy: 1.6600630822862465
Energy: 1.7124434680746454
Energy: 1.8609140136898
Energy: 1.8129261686169345
Energy: 1.7502803376349945
Energy: 1.7214043519300477
Energy: 1.7476569921733534
Energy: 1.689309283001625
Energy: 1.7434025302570209
Energy: 1.66615015522223
Energy: 1.660799654030527
Energy: 1.6464867799264302
Energy: 1.7351741408230437
Energy: 1.8719424602189558
Energy: 1.5877053320244663
Energy: 1.6784130084182043
Energy: 1.752922321625649
Energy: 1.732173282083145
Energy: 1.7302304108027977
Energy: 1.6720591793606818
Energy: 1.6779610724378358
Energy: 1.6191127518219026
Energy: 1.789003856578379
Energy: 1.76794251007833
Energy: 1.798399478416915
Energy: 1.830918267343525
Energy: 1.78839146531499
Energy: 1.5415576319183026
Energy: 1.847331127584944
Energy: 1.645651552763896
Energy: 1.721483878366591
Energy: 1.7419688881971407
Energy: 1.7284213582576697
Energy: 1.7433372161679468
Energy: 1.6351562317712585
Energy: 1.6094430640131498
Energy: 1.8380632606831775
Energy: 1.6207817478146038
Energy: 1.698023666027435
Energy: 1.775867771531628
Energy: 1.70052268084932
Energy: 1.733938307373437
Energy: 1.9845358655914318
Energy: 1.6948013922910896
Energy: 1.7352538066689671
Energy: 1.635187220170489
Energy: 1.565160921588173
Energy: 1.6780059259186142
Energy: 1.5579521117308508
Energy: 1.7632218843001914
Energy: 1.6088345651850522
Energy: 1.7531504342043052
Energy: 1.7545596652014255
Energy: 1.6451869653053013
Energy: 1.8286415101469244
Energy: 1.811204979857512
Energy: 1.777761640986404
Energy: 1.7629078525431598
Energy: 1.8141559222082775
Energy: 1.8462930876493704
Energy: 1.885144698341807
Energy: 1.8195074808448526
Energy: 1.6391042759686065
Energy: 2.021377511908224
Energy: 1.6713600281819554
Energy: 1.810555617758765
Energy: 1.8029576650836439
Energy: 1.754683970404269
Energy: 1.9496503027050522
Energy: 1.8641879100870156
Energy: 1.9278814458824718
Energy: 1.8087200219706445
Energy: 1.956645340877371
Energy: 1.8127217743632758
Energy: 1.6530927629100745
Energy: 1.8869999972617577
Energy: 1.8368728533128127
Energy: 1.9826259835109024
Energy: 1.8432561266619885
Energy: 1.877617819560143
Energy: 1.7365874570973467
Energy: 1.591514773050025
Energy: 1.8815779058215485
Energy: 1.6028620333234553
Energy: 2.065347440686476
Energy: 1.7628662245842794
Energy: 1.9532887171839437
Energy: 1.8551809635230692
Energy: 1.7057110688318056
Energy: 1.9552027014765814

minimum gb energy = 1.5094633747143074 eV
minimum distance =  2.22861645687925 Angstroms
sigma value = 365


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

Energy: 1.4606823293254652
Energy: 1.304061325566178
Energy: 1.4414773730891624
Energy: 1.3008709531373408
Energy: 1.3019702587848265
Energy: 1.2838497681961447
Energy: 1.310402906364959
Energy: 1.434636359110872
Energy: 1.7981346164259198
Energy: 1.3305469219205721
Energy: 1.3822333309552142
Energy: 1.3629248905487552
Energy: 1.3289290384799328
Energy: 1.8270804309055415
Energy: 1.3658306534111966
Energy: 1.8164372259792312
Energy: 1.3369453621535559
Energy: 1.3492821304001676
Energy: 1.3042192929661043
Energy: 1.3325525902096909
Energy: 1.3894791405803462
Energy: 1.3679052485147818
Energy: 1.8185508414566331
Energy: 1.3331844296552635
Energy: 1.3484209997665864
Energy: 1.308949379605915
Energy: 1.3316214458409934
Energy: 1.3797596881879761
Energy: 1.4194218891052408
Energy: 1.8932006706521194
Energy: 1.3267760540771152
Energy: 1.635964372141677
Energy: 1.3825640512902888
Energy: 1.3183312246155827
Energy: 1.8950247994882312
Energy: 1.4696833330208643
Energy: 1.7349437002085317
Energy: 1.3007814523382084
Energy: 1.312633062090516
Energy: 1.306645097903362
Energy: 1.2843998013491655
Energy: 1.3060097542273472
Energy: 1.3646857677294657
Energy: 1.8034964757782075
Energy: 1.338762188479747
Energy: 1.4010320073144396
Energy: 1.3543376097794495
Energy: 1.3380812984486798
Energy: 1.8283412104827885
Energy: 1.3643765090548665
Energy: 1.795017003709205
Energy: 1.3380907561363427
Energy: 1.3045291149905127
Energy: 1.320433014224947
Energy: 1.3329004672157705
Energy: 1.7952523195593204
Energy: 1.4703657865468047
Energy: 1.7664531580236726
Energy: 1.3660708729078008
Energy: 1.3130723485773117
Energy: 1.3147416309254478
Energy: 1.2835581396590368
Energy: 1.3078555167839927
Energy: 1.4466572301039147
Energy: 1.7409531010856023
Energy: 1.3270013116855377
Energy: 1.6356005899444876
Energy: 1.6377697622463976
Energy: 1.3276372414428137
Energy: 1.8943933697085116
Energy: 1.3709373684317525
Energy: 1.8335898715021315
Energy: 1.3331116907329148
Energy: 1.3132754761657954
Energy: 1.3078265437886187
Energy: 1.3317575205805317
Energy: 1.3116038950017015
Energy: 1.364654663300563
Energy: 1.8133615373141336
Energy: 1.3371162025137597
Energy: 1.3085825564486362
Energy: 1.319636914633715
Energy: 1.3432437442535896
Energy: 1.7957775229816744
Energy: 1.3645050074069354
Energy: 1.8227023394964421
Energy: 1.3394769780054763
Energy: 1.3310440135979633
Energy: 1.3431299837908228
Energy: 1.338751661608077
Energy: 1.828040065485531
Energy: 1.4697550799156365
Energy: 1.7618845120332935
Energy: 1.4415345858687114
Energy: 1.3016590123135268
Energy: 1.3065664550361624
Energy: 1.2843997568443202
Energy: 1.3047424095868017
Energy: 1.4344433561970045
Energy: 1.8587739205263805
Energy: 1.3265728152577911
Energy: 1.3816577592489057
Energy: 1.3892672395146222
Energy: 1.35579128026191
Energy: 1.8270372824913619
Energy: 1.3668770083974868
Energy: 1.8172997286531805
Energy: 1.3333633823238171
Energy: 1.3485641147988268
Energy: 1.3029187087315517
Energy: 1.33171956451158
Energy: 1.3921880209519548
Energy: 1.3670322988294974
Energy: 1.8170933559245983
Energy: 1.3336830240948714
Energy: 1.349023218068665
Energy: 1.3031407916269482
Energy: 1.3320237766480478
Energy: 1.3918936083621172
Energy: 1.434224771077369
Energy: 1.8697269109612946
Energy: 1.3486394755367737
Energy: 1.3606054623804578
Energy: 1.3882915317692044
Energy: 1.3550217909379896
Energy: 1.8271233272936651
Energy: 1.470010637147985
Energy: 1.8572194005759735
Energy: 1.4415525045360236
Energy: 1.300813193432402
Energy: 1.3061797644585935
Energy: 1.2842814526259092
Energy: 1.3047054224385413
Energy: 1.3814561825639187
Energy: 1.8076691135100735
Energy: 1.3235893991330832
Energy: 1.3429875933661637
Energy: 1.3590319905019368
Energy: 1.329841768352358
Energy: 1.8277584999493315

minimum gb energy = 1.2835581396590368 eV
minimum distance =  2.2711035457669 Angstroms
sigma value = 23