Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.491938583552837
cohesive_energy=4.443733403167747
mass=58.6934
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=[2.04780604298076e-19, 2.8939475669288398e-19, 3.54069820877562e-19, 4.0779560994548396e-19, 4.51603925648946e-19, 4.8880806926706e-19, 5.208147518844779e-19, 5.48548429419018e-19, 5.72675607350424e-19, 5.937025734950399e-19, 6.12045893777706e-19, 6.28107714533556e-19, 6.425401216526279e-19, 6.56280388465812e-19, 6.690769732415699e-19, 6.796785760287479e-19, 6.88136466479634e-19, 6.949537280573039e-19, 7.00433172145584e-19, 7.047334142312399e-19, 7.079601979721159e-19, 7.10190427846644e-19, 7.11488190920184e-19, 7.11907961198292e-19, 7.114577495641379e-19, 7.10007779710368e-19, 7.0740103832685e-19, 7.034388555109681e-19, 6.9793217441991e-19, 6.90723981743544e-19, 6.817261577669999e-19, 6.70594234513968e-19, 6.563428733545379e-19, 6.381036945530819e-19, 6.153143341110659e-19, 5.87258619073092e-19, 5.5293518904291e-19, 5.1107031359649e-19, 4.60140322754898e-19, 3.98946788395902e-19, 3.2637940211214e-19, 2.35971779008788e-19, 1.226253123834678e-19, -1.83449224593e-20, -1.9391143801301998e-19, -4.1405210970125396e-19, -6.954343810475039e-19, -1.050952569602202e-18, -1.5102437387410799e-18, -2.12378125896504e-18, -2.94033058048314e-18, -4.02881734209006e-18, -5.46452782381746e-18, -7.10113523368212e-18]
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: -8.48587922344666e-25 eV

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

Energy: 0.020779612929168863
Energy: 0.02798467536507361
Energy: 0.18670167929311146
Energy: 0.18585492091765504
Energy: 0.027564834461036372
Energy: 0.02296895124240145
Energy: 0.1850172877363998
Energy: 0.18752207817766353
Energy: 0.1853064963377317
Energy: 0.02619840889734506
Energy: 0.02177534846207304
Energy: 0.18342786379002035
Energy: 0.1856663480507122
Energy: 0.18707924829623332
Energy: 0.18742086866430166
Energy: 0.18424342652987488
Energy: 0.18350830469402007
Energy: 0.18531539175119305
Energy: 0.18691152996807478
Energy: 0.18651709511731548
Energy: 0.18815253849667363
Energy: 0.021469749624721323
Energy: 0.021379214435067084
Energy: 0.18430691202083052
Energy: 0.18568288918672393
Energy: 0.18704712739330245
Energy: 0.025440750149221907
Energy: 0.02131985138402542
Energy: 0.1841471383613515
Energy: 0.18711743210918805
Energy: 0.18566733211772884
Energy: 0.023042486614187424
Energy: 0.022891924696212144
Energy: 0.1831875874350861
Energy: 0.18380166866576692
Energy: 0.18671704842037995
Energy: 0.022680119535686223
Energy: 0.021752474008807365
Energy: 0.18318088549993986
Energy: 0.1834682228895025
Energy: 0.1850954944070466
Energy: 0.18499354114957633
Energy: 0.18830054622508544
Energy: 0.023837897034697565
Energy: 0.02168671846141336
Energy: 0.18442158063642286
Energy: 0.18611301324878302
Energy: 0.18759419432073302
Energy: 0.0248468389310452
Energy: 0.18328396151757503
Energy: 0.18749757730297875
Energy: 0.18527623224396053
Energy: 0.1857427196237469
Energy: 0.022535791183562647
Energy: 0.021622931199838123
Energy: 0.1834902973663323
Energy: 0.1836753104323543
Energy: 0.18625047174928797
Energy: 0.02357465608042632
Energy: 0.021754317918952316
Energy: 0.021679521618747023
Energy: 0.1884464196464994
Energy: 0.1855320303976189
Energy: 0.18746543560984583
Energy: 0.19040239607499354
Energy: 0.0219346326121146
Energy: 0.18977797970768734
Energy: 0.18505682658642708
Energy: 0.1887564948045989
Energy: 0.1884753809140392

minimum gb energy = 0.020779612929168863 eV
minimum distance =  2.43541514759723 Angstroms
sigma value = 3


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

Energy: 1.9944017274575152
Energy: 1.4969225098686525
Energy: 1.5216185206011474
Energy: 1.5237820599628842
Energy: 1.5199606903389338
Energy: 1.8157998630082544
Energy: 1.4769634215381675
Energy: 1.5244160920381138
Energy: 1.5222869635274712
Energy: 1.498362690108734
Energy: 1.3323577038328558
Energy: 1.6909725181783588
Energy: 1.5280462203170315
Energy: 1.3488562545895015
Energy: 1.162188126036896
Energy: 1.1598471730430433
Energy: 1.752713365802721
Energy: 1.5209311912305878
Energy: 1.347075768521091
Energy: 1.1610116092423266
Energy: 1.4751387890555954
Energy: 1.5897968354578424
Energy: 1.3623579893515723
Energy: 1.1578592633668099
Energy: 1.158531578134131
Energy: 1.158169198926061
Energy: 1.370938916373175
Energy: 1.3701025629707462
Energy: 1.2390272453778863
Energy: 1.508756669355265
Energy: 1.3114793065308805
Energy: 1.5379878425090463
Energy: 1.5644534905834535
Energy: 1.1586528629888535
Energy: 1.1607194765011257
Energy: 1.1586915882757005
Energy: 1.5280885399497892
Energy: 1.688961793959191
Energy: 1.3582393166024143
Energy: 1.4155120618701869
Energy: 1.5201132408720612
Energy: 1.571867384335279
Energy: 1.594875590326405
Energy: 1.348514477774459
Energy: 1.297328822765088
Energy: 1.557493304280073
Energy: 1.5713112106348692
Energy: 1.5981779207986897
Energy: 1.4570496036804144
Energy: 1.385252405439178
Energy: 1.5611011444462297
Energy: 1.4938117254957244
Energy: 1.6020910861947046
Energy: 1.351350524203087
Energy: 1.35617951404079
Energy: 1.5826271753990775
Energy: 1.493421637470035
Energy: 1.5818388371657988
Energy: 1.3470571358426955
Energy: 1.5729344379892816
Energy: 1.557796696939174
Energy: 1.6413998270775383
Energy: 1.657300699047367
Energy: 1.3602824503741309
Energy: 1.558494543307483
Energy: 1.5683472798188882
Energy: 1.67308598340049
Energy: 1.4629651875501983
Energy: 1.2550482717702462
Energy: 1.5584948506500167
Energy: 1.6957485766732117
Energy: 1.5557041306505202
Energy: 1.574491819670936
Energy: 1.2854440036915602
Energy: 1.5574181113659438
Energy: 1.5615647144114517
Energy: 1.5407513547174119
Energy: 1.5526487523407806
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Energy: 1.5548185334727889
Energy: 1.6756352223537767
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Energy: 1.363174191075958
Energy: 1.505240795280037
Energy: 1.590560806114406
Energy: 1.6793581845423995
Energy: 1.3410666600403214
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Energy: 1.553809443689619
Energy: 1.3669815368875222
Energy: 1.3752730782654383
Energy: 1.3497826176112668
Energy: 1.3096848685782052
Energy: 1.5757335756378674
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Energy: 1.3612366447591335
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Energy: 1.5645074496824725
Energy: 1.5726059725187314
Energy: 1.3218298410288036
Energy: 1.2618815046062264
Energy: 1.672515591153635
Energy: 1.5531446467856385
Energy: 1.6581458080923817
Energy: 1.2499066681111999
Energy: 1.2650525635271086
Energy: 1.6760039812816312
Energy: 1.5698093923602743
Energy: 1.507750932915896
Energy: 1.9375016755917787
Energy: 1.5530301901359729
Energy: 1.5582323090190127
Energy: 1.559911564178559
Energy: 1.5215984743726572
Energy: 1.516662321702042
Energy: 1.5374009474026513
Energy: 1.5591587002306888
Energy: 1.5580053121382935
Energy: 1.5689251567334477
Energy: 1.2619299331822775
Energy: 1.6134670771120796
Energy: 1.5620809384770276
Energy: 1.6791973962092581
Energy: 1.253995346181189
Energy: 1.1222328290378072
Energy: 1.5411547130028607
Energy: 1.5699944864178323
Energy: 1.387614646846718
Energy: 1.2572724889787934
Energy: 1.2660243167883816
Energy: 1.302310433416509
Energy: 1.3649133011373389
Energy: 1.4829168724131334
Energy: 1.2511924386757463
Energy: 1.272798293219502
Energy: 1.2980089765608114
Energy: 1.364467692525582
Energy: 1.2621862208695995
Energy: 1.4348543741061148
Energy: 1.2688099999940725
Energy: 1.3751130784833998
Energy: 1.362618564480627
Energy: 1.2534564032248718
Energy: 1.2681219299777815
Energy: 1.2661095940243647
Energy: 1.3761221154332988
Energy: 1.3648991741928038
Energy: 1.425259916997378
Energy: 1.2677523129693138
Energy: 1.7343418655660383
Energy: 1.5622220286211923
Energy: 1.5504997384541213
Energy: 1.4653478423701323
Energy: 1.2516161251856615
Energy: 1.6794868382471178
Energy: 1.5695139886563454
Energy: 1.594722162460573
Energy: 1.348156387759491
Energy: 1.2785995385663156
Energy: 1.5800157756870326
Energy: 1.5781687230080732
Energy: 1.5530579176950503
Energy: 1.3500489930693658
Energy: 1.4913040601272933
Energy: 1.5789403881136583
Energy: 1.5751857314258317
Energy: 1.5151755941372833
Energy: 1.4796924193081993
Energy: 1.592072766730619
Energy: 1.556124484420475
Energy: 1.667039652598634
Energy: 1.3761978272460373
Energy: 1.3556355960792827
Energy: 1.515588708028297
Energy: 1.569693752907758
Energy: 1.6708694193492477
Energy: 1.479799196669599
Energy: 1.3556898239213027
Energy: 1.5641222535768065
Energy: 1.694696233551037
Energy: 1.5551172136847822
Energy: 1.2423186330531208
Energy: 1.281445776690069
Energy: 1.5600367873132273
Energy: 1.5634407219256925
Energy: 1.5566298272729777
Energy: 1.235401356072123
Energy: 1.2841622430308137
Energy: 1.5554605742232048
Energy: 1.6718324986625763
Energy: 1.3804805005740375
Energy: 1.175228104120208
Energy: 1.2875821330457962
Energy: 1.4805429161579409
Energy: 1.6743518868909115
Energy: 1.3756716225982568
Energy: 1.18253769835003
Energy: 1.3500385762913478
Energy: 1.5518435037482068
Energy: 1.3587418206408928
Energy: 1.2612374519891616
Energy: 1.3491706774219638
Energy: 1.3471498808700664
Energy: 1.3637306347505163
Energy: 1.4617256939696797
Energy: 1.303018902126006
Energy: 1.2439017257240907
Energy: 1.389770962294406
Energy: 1.369892151941314
Energy: 1.2314416753867095
Energy: 1.3579261783362289
Energy: 1.2514027574356725
Energy: 1.342872155434564
Energy: 1.3977370089330756
Energy: 1.3585200962535469
Energy: 1.3539892425806859
Energy: 1.376072577207318
Energy: 1.350247531172409
Energy: 1.3664580379521185
Energy: 1.4150850539652984
Energy: 1.363945269606767
Energy: 1.359379400582167
Energy: 1.5937311644417105
Energy: 1.5128981396924552
Energy: 1.1586773445700191
Energy: 1.1685388411314108
Energy: 1.3618827693322537
Energy: 1.6994576897538418
Energy: 1.5250053305343014
Energy: 1.7100533239192954
Energy: 1.6131790937304218
Energy: 1.5247922863723413
Energy: 1.575542434940335
Energy: 1.5779317116771565
Energy: 1.1617249240853114
Energy: 1.2962370192117212
Energy: 1.3887953699905675
Energy: 1.5789775481416377
Energy: 1.5769807998159615
Energy: 1.525464016510752
Energy: 1.509054680698757
Energy: 1.6360612346775907
Energy: 1.5197546011431058
Energy: 1.370777673174103
Energy: 1.1679337631214788
Energy: 1.1623775258972755
Energy: 1.645125600777826
Energy: 1.5192392454296368
Energy: 1.4621316215242917
Energy: 1.9935943286248063
Energy: 1.5211910413275502
Energy: 1.5248793610013052
Energy: 1.5268553914282401
Energy: 1.5203927237570822
Energy: 1.5167749352411868
Energy: 1.4825482237375744
Energy: 1.5218056866829968
Energy: 1.521819856750584
Energy: 1.5028401238230786

minimum gb energy = 1.1222328290378072 eV
minimum distance =  2.18323339062836 Angstroms
sigma value = 75


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

Energy: 2.7063554351083563
Energy: 1.6876476088947678
Energy: 1.4758438881275784
Energy: 1.4969385168050164
Energy: 1.7143628393664954
Energy: 1.4646928195567845
Energy: 1.4570002250689877
Energy: 1.4780356206208216
Energy: 1.5089243486050576
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Energy: 1.4525765512998186
Energy: 1.499666064788735
Energy: 1.5200429885459537
Energy: 1.4929451967436012
Energy: 1.4714544193734362
Energy: 1.4544559697487187
Energy: 1.5056165971849254
Energy: 1.5141594428713439
Energy: 1.5581750171941082
Energy: 1.509112692816268
Energy: 1.6343157879988732
Energy: 1.5943894875609546
Energy: 1.4373980879581592
Energy: 1.550324662346213
Energy: 1.6131033770502596
Energy: 1.428744653811685
Energy: 1.6165912805069673
Energy: 1.4371086793032717
Energy: 1.5649785239178813
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Energy: 1.4771327650971708
Energy: 1.5395800680315495
Energy: 1.4802873040095412
Energy: 1.4261554531376173
Energy: 1.5353449909468357
Energy: 1.4865248306585253
Energy: 1.5363604396340174
Energy: 1.4475071020600783
Energy: 1.5326097999768953
Energy: 1.615372473392116
Energy: 1.4529491285560876
Energy: 1.4974750663740717
Energy: 1.7370011691119318
Energy: 1.5440662223304342
Energy: 1.4501045567403055
Energy: 1.507394320782972
Energy: 1.5047839863298809
Energy: 1.766675488850048
Energy: 1.5210026747031433
Energy: 1.4582305352709182
Energy: 1.4641833230409749
Energy: 1.5018276999575142
Energy: 1.44978517578223
Energy: 1.5166707794031669
Energy: 1.520485550401094
Energy: 1.4672579741066716
Energy: 1.4635200405469007
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Energy: 1.5406114714972499
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Energy: 1.5299218084605253
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Energy: 1.5533111289625863
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Energy: 1.4795935862125567
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Energy: 1.4630145038717552
Energy: 1.8110719548519136
Energy: 1.516872493524815
Energy: 1.4889526130675008
Energy: 1.4824633957616595
Energy: 1.500894557568763
Energy: 1.4266200122648969
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Energy: 1.5250811788106904
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Energy: 1.4977316803660008
Energy: 1.580979892047204
Energy: 1.537016095001977
Energy: 1.5415514561791392
Energy: 1.6382872961990642
Energy: 1.4533070672099972
Energy: 1.633459013014896
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Energy: 1.6112196038193827
Energy: 1.4536533836551686
Energy: 1.5821347068808251
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Energy: 1.5204388048546338
Energy: 1.4744647401191273
Energy: 1.5603304109513383
Energy: 1.5916906386830676
Energy: 1.5478249180195494
Energy: 1.5613909295858999
Energy: 1.5017693363895048
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Energy: 1.5226872604565214
Energy: 1.4749550321687677
Energy: 1.5032037706849184
Energy: 1.5129205035926592
Energy: 1.7759213477076832
Energy: 1.5461659101569107
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Energy: 1.4921378126391152
Energy: 1.509940016211948
Energy: 1.7783365702076828
Energy: 1.4871823864296396
Energy: 1.4994145484563723
Energy: 1.4982901146289833
Energy: 1.4926714803071477
Energy: 1.4629131513747646
Energy: 1.798421470161248
Energy: 1.5165993201092767
Energy: 1.5053432318651874
Energy: 1.4851500642246231
Energy: 1.4930478394099127
Energy: 1.5215356859138323
Energy: 1.5056254749747227
Energy: 1.4744596953601723
Energy: 1.6209872870219764
Energy: 1.4961220644144504
Energy: 1.6281713952375436
Energy: 1.5029661519443134
Energy: 1.5332282590561792
Energy: 1.4934403283024458
Energy: 1.4482116233506397
Energy: 1.6149062530382254
Energy: 1.604996134053619
Energy: 1.6283216312384905
Energy: 1.6642555728737696
Energy: 1.4377380346612272
Energy: 1.57680692560047
Energy: 1.6030352370418819
Energy: 1.5630464745366444
Energy: 1.7116594056532692
Energy: 1.4910720793673544
Energy: 1.5446028895230741
Energy: 1.4825405205424709
Energy: 1.4967204533117118
Energy: 1.4993914433238646
Energy: 1.4983899389523974
Energy: 1.4949120216914142
Energy: 1.4957005190886115
Energy: 1.539700685735923
Energy: 1.5257774172279464
Energy: 1.5468871254907015
Energy: 1.4747359285492998
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minimum gb energy = 1.4261554531376173 eV
minimum distance =  2.24460542860797 Angstroms
sigma value = 105


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

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Energy: 1.5861988018536637
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Energy: 1.5810153979524362
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Energy: 1.580393175317037
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Energy: 1.577094640889539
Energy: 1.5840853676884143
Energy: 1.5787490032547757
Energy: 1.5806205854279514
Energy: 1.517533693777409
Energy: 1.579286817123843
Energy: 1.5836047618280436
Energy: 1.5969934874081513
Energy: 1.6029168702710799
Energy: 1.5875849698042812
Energy: 1.5819759184553681
Energy: 1.5876445062383915
Energy: 1.5716838864633342
Energy: 1.5968322534606505
Energy: 1.5761791270810126
Energy: 1.5525684456806568
Energy: 1.5631900483494903
Energy: 1.6345364916011296
Energy: 1.4827051763836219
Energy: 1.5852995516277546
Energy: 1.5757074882603654
Energy: 1.4657228778019633
Energy: 1.5863328148247986
Energy: 1.4485159830916576
Energy: 1.5809553850057694
Energy: 1.5727000969090748
Energy: 1.479924904842781
Energy: 1.5058662286039384
Energy: 1.5075110442844148
Energy: 1.5997789268645684
Energy: 1.5797628609315382
Energy: 1.4507422528642928
Energy: 1.5699670273020205
Energy: 1.5074462113043048
Energy: 1.5770323432176705
Energy: 1.57724850621365
Energy: 1.458462694705922
Energy: 1.679526487724216
Energy: 1.6009792024309721
Energy: 1.5940650143934583
Energy: 1.5777392373239185
Energy: 1.6832012784227828
Energy: 1.5147802135270305
Energy: 1.601646328097823
Energy: 1.656692070994981
Energy: 1.5787266368278108
Energy: 1.6548321137332271
Energy: 1.5800673029795556
Energy: 1.4921304212258486
Energy: 1.4810098165891123
Energy: 1.4773807486186503
Energy: 1.5806544356933883
Energy: 1.4567185626027512
Energy: 1.4895943036271997
Energy: 1.491044192239137
Energy: 1.4584164296511295
Energy: 1.5773328037626306
Energy: 1.4676907347414907
Energy: 1.4704721528180973
Energy: 1.4841393313613667
Energy: 1.481947798460804
Energy: 1.469027601004996
Energy: 1.4639733034299287
Energy: 1.4691183540135493
Energy: 1.4749160181907173
Energy: 1.4733282193818382
Energy: 1.571721146287224

minimum gb energy = 1.426171371016458 eV
minimum distance =  2.22698943444744 Angstroms
sigma value = 165


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

Energy: 1.8670716480987406
Energy: 1.3874755659925184
Energy: 1.4058727132658884
Energy: 1.4978438917421206
Energy: 1.3874292384112337
Energy: 1.8673385043008033
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Energy: 1.497296395801557
Energy: 1.389478472927494
Energy: 1.389562405491559
Energy: 1.4836729160675464
Energy: 1.5002889699876976
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Energy: 1.4817839053841573
Energy: 1.483182221871171
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Energy: 1.4879818801503943
Energy: 1.5763960196268463
Energy: 1.4938205903508546
Energy: 1.5769265741268597
Energy: 1.4047476737355804
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Energy: 1.4050291570239652
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Energy: 1.4098978353587783
Energy: 1.4807600185836791
Energy: 1.5522254709242662
Energy: 1.5763272400161592
Energy: 1.4953855597089518
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Energy: 1.4999126845838235
Energy: 1.4987167684807203
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Energy: 1.5507016072072137
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Energy: 1.496440573777175
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Energy: 1.5678499363859748
Energy: 1.4966581022438068
Energy: 1.4937973725412172
Energy: 1.497127800586404
Energy: 1.4955505704219219
Energy: 1.8680287072847261
Energy: 1.4983571796797766
Energy: 1.4871457731548592
Energy: 1.5000472383162786
Energy: 1.4927160353808353
Energy: 1.498032544686422
Energy: 1.4967759114060812
Energy: 1.485535153975587
Energy: 1.499382854354537
Energy: 1.4926426536985231
Energy: 1.502042861537385
Energy: 1.6465576455860806
Energy: 1.4955369052993193
Energy: 1.4114736682865412
Energy: 1.4828771561196938
Energy: 1.4054153564569227
Energy: 1.3981073698958675
Energy: 1.491640771906395
Energy: 1.483054303606716
Energy: 1.4841598070206217
Energy: 1.4056174038635203
Energy: 1.48583085893263
Energy: 1.48280497726957
Energy: 1.4784323978964438
Energy: 1.3869714455243807
Energy: 1.4818549752475767
Energy: 1.575825979624707
Energy: 1.4916497791651289
Energy: 1.4115208927703229
Energy: 1.390916550667626
Energy: 1.4811875344048218
Energy: 1.391041076001482
Energy: 1.4919500882197054
Energy: 1.4984539941287143
Energy: 1.4079842852475348
Energy: 1.4831512418600021
Energy: 1.4827956903905062
Energy: 1.4884720196169585
Energy: 1.4982554192245259
Energy: 1.409163840312705
Energy: 1.4810492545105256

minimum gb energy = 1.3869714455243807 eV
minimum distance =  2.22727376092805 Angstroms
sigma value = 41


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

Energy: 2.642477775895296
Energy: 1.2900857372217645
Energy: 1.2844983561991044
Energy: 1.2870081871617125
Energy: 1.261561939797745
Energy: 1.290561611704227
Energy: 1.3010663222897465
Energy: 1.2971084834023772
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Energy: 1.3195868589866249
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Energy: 1.3971421281404777
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Energy: 1.359249514453335
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Energy: 1.308528661554205
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Energy: 1.381910879784466
Energy: 1.3616195272699432
Energy: 1.3841671204487753
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Energy: 1.400206622106829
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Energy: 1.3035703476719933
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Energy: 1.3540633684772034
Energy: 1.3865725261817405
Energy: 1.289233846390507
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Energy: 1.3583446808262847
Energy: 1.3568768577296828
Energy: 1.386715978678648
Energy: 1.2878674423716956
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Energy: 1.3530513170503824
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Energy: 1.2734294718326529
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Energy: 1.3182426536059066
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Energy: 1.3099279923922549
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Energy: 1.349570910334562
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Energy: 1.359658525906492
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Energy: 1.3712086292519456
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Energy: 1.3985875126872498
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Energy: 1.2763151718045973
Energy: 1.3956452652978821
Energy: 1.3888858708453202
Energy: 1.356468935533248
Energy: 1.3569739846184332
Energy: 1.305320841769817
Energy: 1.3791427463676427
Energy: 1.3388052127981336
Energy: 1.3396352404998093
Energy: 1.308114530693595
Energy: 1.2761507754585024
Energy: 1.4007785639494843
Energy: 1.3395300820019396
Energy: 1.3658584310755444
Energy: 1.3299867374583976
Energy: 1.38160506772538
Energy: 1.3575007419969705
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Energy: 1.2866893782322908
Energy: 1.2853486662160127
Energy: 1.3543201867857892
Energy: 1.3601682349294708
Energy: 1.3648209631555457
Energy: 1.3503246565935925
Energy: 1.3148352636936562
Energy: 1.3553114651285947
Energy: 1.3898312425903985
Energy: 1.2682895971046935
Energy: 1.3006493427512538
Energy: 1.300159329701017
Energy: 1.3315531526844018
Energy: 1.3780355615411108
Energy: 1.3047821754760465
Energy: 1.3029786923949909
Energy: 1.2710572333515313
Energy: 1.2711570461448831
Energy: 1.2891732582745745
Energy: 1.3317893029907915
Energy: 1.2845245593858514
Energy: 1.2863805978873593
Energy: 1.2714932181746357
Energy: 1.3032401428833669
Energy: 1.308754421056338
Energy: 1.315330521397773
Energy: 1.3092509605358231
Energy: 1.2944847056202728
Energy: 1.437459824868145
Energy: 1.2889634744598588
Energy: 1.285914741110854
Energy: 1.3034891404252322
Energy: 1.3148423940181626
Energy: 1.3849827271581783
Energy: 1.3079820258039692
Energy: 1.3167898939083662
Energy: 1.3049598004158824
Energy: 1.332568355373101
Energy: 1.3049300081338562
Energy: 1.2980954817321977
Energy: 1.3028144699568451
Energy: 1.2987677888490572
Energy: 1.2942826826965093
Energy: 1.2787288110932553
Energy: 1.2844899306576762
Energy: 1.2871772473225345
Energy: 1.3686404764060163

minimum gb energy = 1.261561939797745 eV
minimum distance =  2.2630711805723 Angstroms
sigma value = 185


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

Energy: 1.198364465556831
Energy: 1.1162923488208085
Energy: 0.8315422374178684
Energy: 0.9275000096730089
Energy: 0.8059103678788554
Energy: 0.80561392418847
Energy: 0.9068789371579834
Energy: 0.9214534386056845
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Energy: 1.093089653747249
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Energy: 0.8865930993590982
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Energy: 0.7230827962130602
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Energy: 0.9201931114559521
Energy: 0.7284714589500784
Energy: 0.8321045532209747
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Energy: 0.921787638122587
Energy: 0.8977920374383671
Energy: 0.811293880628998
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Energy: 0.7220539663697367
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Energy: 0.7132800736698568
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Energy: 0.7555130325499462
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Energy: 0.8477866414301414
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Energy: 0.7118478783523862
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Energy: 0.7007526915182714
Energy: 1.3593674334362331
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Energy: 0.7071692917136972
Energy: 0.7279579321746805
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Energy: 0.9216440719594745
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Energy: 0.8351369181790503
Energy: 0.8516869561537773
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Energy: 0.8254579068422714
Energy: 0.7067974198366302
Energy: 0.7245811899183243
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Energy: 0.8233317420425668
Energy: 0.6810609540061694
Energy: 0.6810783875824026
Energy: 0.8388089244624707
Energy: 1.0079349695063706
Energy: 0.675407777552762
Energy: 0.8585608336660648
Energy: 0.8570928283375523
Energy: 0.83219065337988
Energy: 0.8832507067321864
Energy: 0.8107813134414656
Energy: 0.7121047839495892
Energy: 0.6606631126267383
Energy: 0.7222550757754299
Energy: 0.8271477083199392
Energy: 0.8112316722109765
Energy: 0.7168430560285782
Energy: 0.7095310874454801
Energy: 0.8451441893380102
Energy: 0.9106670304895949
Energy: 0.7149755413722999
Energy: 0.8265453525528778
Energy: 0.8129655896495401
Energy: 0.8542683569035615
Energy: 0.8376433435977598
Energy: 0.9179054676846997
Energy: 0.8704644025979525
Energy: 0.7226965882410257
Energy: 0.7106458263190929
Energy: 0.8211832489085892
Energy: 0.8413230977014501
Energy: 0.8610894693958755
Energy: 0.9270315237175031
Energy: 1.0487850587172982
Energy: 0.8222097763634557
Energy: 0.8986638427306276
Energy: 0.9188685523156759
Energy: 0.7129424357662698
Energy: 1.1739784900084356
Energy: 0.8424471633152915
Energy: 0.7076298178614009
Energy: 0.8285734686522825
Energy: 0.9635307153848967
Energy: 0.8894929824153246
Energy: 0.8842836590407324
Energy: 0.7222379078168052
Energy: 0.730009326725052
Energy: 0.7083924699692575
Energy: 0.8864808585692934
Energy: 0.9035256288226687
Energy: 1.11836311462326
Energy: 0.8116764312356302
Energy: 0.9785614212154871
Energy: 0.7273434323322214
Energy: 0.7220973977974378
Energy: 0.8059127826651313
Energy: 0.7221672192944372
Energy: 0.8923239895743407
Energy: 0.8277935953022879
Energy: 1.1175208605812939

minimum gb energy = 0.6606631126267383 eV
minimum distance =  2.31878234282572 Angstroms
sigma value = 33


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

Energy: 1.236221805224446
Energy: 1.1890049923397237
Energy: 1.1804708248100226
Energy: 1.180046531091757
Energy: 1.1710710157643673
Energy: 1.1711752451384982
Energy: 1.18671465406719
Energy: 1.1863763282311426
Energy: 1.2150630990818663
Energy: 1.1965416282434183
Energy: 1.1801825012022436
Energy: 1.2259516597558673
Energy: 1.1777242991028813
Energy: 1.1775246188573811
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Energy: 1.1753251403265135
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Energy: 1.1969583503247183
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Energy: 1.2026013537423492
Energy: 1.1811741118523864
Energy: 1.1808873070116719
Energy: 1.1822493832557008
Energy: 1.2178984483754736
Energy: 1.1743025620025649
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Energy: 1.1825980741662723
Energy: 1.1813048402298396
Energy: 1.2243744118049882
Energy: 1.1746120386202352
Energy: 1.2889711087328686
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Energy: 1.181331665780917
Energy: 1.1906123951849221
Energy: 1.2106497329240018
Energy: 1.2723019885440874
Energy: 1.2346541712578751
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Energy: 1.2242041812499886
Energy: 1.187983856245654
Energy: 1.1943575819973817
Energy: 1.2002226648764867
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Energy: 1.2262398674803718
Energy: 1.1983505127470264
Energy: 1.2267340776777815
Energy: 1.2284832775578178
Energy: 1.1869591662538708
Energy: 1.2360621608025129
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Energy: 1.17875153009999
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Energy: 1.181779226218692
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Energy: 1.1856250221469942
Energy: 1.2165259712025402
Energy: 1.3647459577618026
Energy: 1.1740978343342972
Energy: 1.2139645953781015
Energy: 1.265557056067681
Energy: 1.186161916299556
Energy: 1.2114811925186326
Energy: 1.184257829442563
Energy: 1.187022971565036
Energy: 1.365019574644626
Energy: 1.1872178648761027
Energy: 1.1860079972974598
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Energy: 1.1885771481987062
Energy: 1.1860748527237204
Energy: 1.2247991691494517
Energy: 1.240268275040197
Energy: 1.182593839561562
Energy: 1.1823362311885643
Energy: 1.1859181037442013
Energy: 1.1982446504661857
Energy: 1.216058726919986
Energy: 1.1831769643035817
Energy: 1.182932784267248
Energy: 1.213869389039622
Energy: 1.179660808643548
Energy: 1.3051210184622228
Energy: 1.223160165683862
Energy: 1.1752872690095746
Energy: 1.2151592292780873
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Energy: 1.1951319286172029
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Energy: 1.1865105058470755
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Energy: 1.194714554696933
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Energy: 1.176579042990219
Energy: 1.194257641110031
Energy: 1.17323599251142
Energy: 1.1798979430820444
Energy: 1.3077496696220563
Energy: 1.1785752545803996
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Energy: 1.1973121495744141
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Energy: 1.1927672631375035
Energy: 1.1797753348238886
Energy: 1.1881693787279044
Energy: 1.190208902075803
Energy: 1.1895899286939777
Energy: 1.1910600416421078
Energy: 1.1970076232160713
Energy: 1.1850763699969595
Energy: 1.2319973068903436
Energy: 1.216313430420631
Energy: 1.18217233592464
Energy: 1.1748350885502006
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Energy: 1.22318058254409
Energy: 1.227636053737877
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Energy: 1.1756103231571635
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Energy: 1.1968225280709675
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Energy: 1.1922135305603918
Energy: 1.1876034294352296
Energy: 1.1775944114165002
Energy: 1.2232256211170847
Energy: 1.206251743228456

minimum gb energy = 1.1546423380364206 eV
minimum distance =  2.22501341378674 Angstroms
sigma value = 219


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

Energy: 2.188484957052037
Energy: 1.5487679644518895
Energy: 1.5934661879910437
Energy: 1.5647214586352518
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Energy: 1.5133428880254964
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Energy: 1.5537003438956791
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Energy: 1.557246094093785
Energy: 1.4732116014865235
Energy: 1.54286674517309
Energy: 1.5826176456571264
Energy: 1.5703146674253072
Energy: 1.5539833009421393
Energy: 1.5542044414867808
Energy: 1.5426293318787585
Energy: 1.5180591398841727
Energy: 1.546733485180929
Energy: 1.554487635203188
Energy: 1.581647728670852
Energy: 1.5441296727463152
Energy: 1.5779951551028166
Energy: 1.5685056828802781
Energy: 1.5548061160415256
Energy: 1.5506423679653083
Energy: 1.5819031587341588
Energy: 1.515781667485051
Energy: 1.5176416214220296
Energy: 1.5555232522175078
Energy: 1.552579186116418
Energy: 1.5823394280041965
Energy: 1.5150121277052293
Energy: 1.5184939295412871
Energy: 1.5543005564924097

minimum gb energy = 1.470503374062711 eV
minimum distance =  2.26433378949602 Angstroms
sigma value = 15


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

Energy: 2.5601248292479655
Energy: 1.7259663837834256
Energy: 1.7672719099187768
Energy: 1.727067100423082
Energy: 1.7789896236338512
Energy: 1.7141497097982945
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Energy: 1.7238672201490683
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Energy: 1.7396524561556443
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Energy: 1.7279997621394638
Energy: 1.8184963735260231
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Energy: 1.817354524279992
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Energy: 1.8111070683923403
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Energy: 1.6953116582942591
Energy: 1.796808237715197
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Energy: 1.777749300684987
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Energy: 1.7038932415871222
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Energy: 1.7368239227574969
Energy: 1.7551215555355177
Energy: 1.7442042197921985
Energy: 1.6941441613708124
Energy: 1.7368521720834227
Energy: 1.7382020221261834
Energy: 1.7365676090742739
Energy: 1.740204660277616
Energy: 1.8007976631301543
Energy: 1.712098274444822
Energy: 1.7237647637022837
Energy: 1.734582637584639
Energy: 1.7493994805119006
Energy: 1.7540704778867777
Energy: 1.7091109861230402
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minimum gb energy = 1.6737155982346112 eV
minimum distance =  2.20200538256416 Angstroms
sigma value = 293


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

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Energy: 1.7433486562471436
Energy: 1.7077179664525974
Energy: 1.7063677056192454
Energy: 1.7409332212275141
Energy: 1.7043360457221577
Energy: 1.70748463139723
Energy: 1.7009244368332732
Energy: 1.705121686766456
Energy: 1.710310581963968
Energy: 1.7120860341234907
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Energy: 1.708514112376924
Energy: 1.7066394008211194
Energy: 1.7205679603484927
Energy: 1.7168474646224332
Energy: 1.7091136408433547
Energy: 1.7135868293639451
Energy: 1.7979174147019559
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Energy: 1.6669957636446806
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Energy: 1.6663778245232619
Energy: 1.6719040695887235
Energy: 1.7058015107131794
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Energy: 1.7524974313726263
Energy: 1.6655421588277797
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Energy: 1.7197983914196204
Energy: 1.7105774446614204
Energy: 1.7182335930056527
Energy: 1.7079785126347482
Energy: 1.7023431032407792
Energy: 1.7081684143219675
Energy: 1.712326999776747
Energy: 1.7191374323228006
Energy: 1.707698614020849
Energy: 1.6999977127232344
Energy: 1.710750653447983
Energy: 1.6952450716751701
Energy: 1.7097774140137232
Energy: 1.752789523490405
Energy: 1.7043007867195805
Energy: 1.7674980596111378
Energy: 1.696363349382213
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Energy: 1.7588647565554767
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Energy: 1.7690542927704944
Energy: 1.8098136155593922
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Energy: 1.7827079672843638
Energy: 1.7282295268577095
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Energy: 1.7158989379579732
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Energy: 1.7744043808490597
Energy: 1.782410838119814
Energy: 1.7770050262680022
Energy: 1.7606457354324887
Energy: 1.8485400715083486
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Energy: 1.7797963787802735
Energy: 1.7786299721565866
Energy: 1.7812960654504617
Energy: 1.705710163222902
Energy: 1.7118754688641789
Energy: 1.7072518586357883
Energy: 1.7979798599506815
Energy: 1.7339963055247203
Energy: 1.7079596674192468
Energy: 1.7053338543822059
Energy: 1.7159786225122247
Energy: 1.7322869177148976
Energy: 1.793220793076851
Energy: 1.7160674822717852
Energy: 1.7058702415379245
Energy: 1.745170966890415
Energy: 1.6555047346570175
Energy: 1.6537738512960587
Energy: 1.705356604129298
Energy: 1.7076954628033498
Energy: 1.7471761088496547
Energy: 1.6555697593938559
Energy: 1.6517615330286644
Energy: 1.7060917483944142
Energy: 1.7037142398424359
Energy: 1.7129530152406092
Energy: 1.717811307983042
Energy: 1.704705675741812
Energy: 1.721204982701429
Energy: 1.7024465180567205
Energy: 1.709394046286094
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Energy: 1.7158104589871261
Energy: 1.7169798327087311
Energy: 1.6926215155460034
Energy: 1.695014598593578
Energy: 1.7533549807801232
Energy: 1.712425786359712
Energy: 1.7401113676059297
Energy: 1.692432336023897
Energy: 1.694577370722288
Energy: 1.753549265707725
Energy: 1.7223478875427056
Energy: 1.6675703434922804
Energy: 1.7520552728195342
Energy: 1.7612299802320106
Energy: 1.7251217051155587
Energy: 1.6603549661500585
Energy: 1.7191655809592494
Energy: 1.7045272912511362
Energy: 1.7909015483522341
Energy: 1.7268579412262026
Energy: 1.6639354795859334
Energy: 1.800378442959679
Energy: 1.7119610765737345
Energy: 1.7098978565605245
Energy: 1.7918486099655915
Energy: 1.7699232458531087
Energy: 1.7106013373221274
Energy: 1.713445217662113
Energy: 1.7111834118684475
Energy: 1.7931066126673318
Energy: 1.659147888020097
Energy: 1.7126666101288777
Energy: 1.7020200445012819
Energy: 1.7172369477118032
Energy: 1.7779691090399028
Energy: 1.717722612080116
Energy: 1.7126072616962218
Energy: 1.7046763035382124
Energy: 1.712616314164146
Energy: 1.7463518294664007
Energy: 1.7612270163392554
Energy: 1.7090059380357217
Energy: 1.777605698956587
Energy: 1.7560606165952715
Energy: 1.7105290309556165
Energy: 1.6974619013573151
Energy: 1.706494040102343
Energy: 1.75930159496819
Energy: 1.7512799221751696
Energy: 1.7055736450169432
Energy: 1.6961377915447904
Energy: 1.7106699875501097
Energy: 1.7242203680255206
Energy: 1.8203538057592996
Energy: 1.7208435393367363
Energy: 1.7750069115043674
Energy: 1.7376329265733665
Energy: 1.7291211965238327
Energy: 1.8211887092216072
Energy: 1.7216496629193476
Energy: 1.7764855213317383
Energy: 1.7065271063806855
Energy: 1.7747175169483194
Energy: 1.705125485772944
Energy: 1.711563930260856
Energy: 1.7750494016407978
Energy: 1.7047267888623512
Energy: 1.7761422764122201
Energy: 1.7048170147695099
Energy: 1.7122028334931652
Energy: 1.7418568052320937
Energy: 1.7847575272654088
Energy: 1.7832686294690938
Energy: 1.711245963288168
Energy: 1.703940326093786
Energy: 1.7830305262772594
Energy: 1.761563809117228
Energy: 1.7473442442872313
Energy: 1.7174709260478782
Energy: 1.7043890393786265
Energy: 1.7519092516175252

minimum gb energy = 1.6517615330286644 eV
minimum distance =  2.23762263299832 Angstroms
sigma value = 293


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

Energy: 1.6139665760101642
Energy: 1.6306183573189545
Energy: 1.7864013368095892
Energy: 1.6603042120285838
Energy: 1.6293263970686347
Energy: 1.616532871789849
Energy: 1.6610656986153944
Energy: 1.7860306449328314
Energy: 1.6617260616046539
Energy: 1.6282996309017967
Energy: 1.6246161439831794
Energy: 1.6486553977764655
Energy: 1.6463061278283972
Energy: 1.643979444494073
Energy: 1.6487166461994265
Energy: 1.7527211601796633
Energy: 1.6490224169012395
Energy: 1.627301142629801
Energy: 1.645644185755191
Energy: 1.6504828693771323
Energy: 1.653891616889128
Energy: 1.6483693976810003
Energy: 1.6525382397005208
Energy: 1.6646654674004775
Energy: 1.754531647546399
Energy: 1.6491677609482192
Energy: 1.6475324556346136
Energy: 1.650578535394064
Energy: 1.7870614478083346
Energy: 1.7559832280362138
Energy: 1.7877659800152037
Energy: 1.6227717919665163
Energy: 1.6265853894774671
Energy: 1.6469307471085757
Energy: 1.6664886588169974
Energy: 1.7860858637233221
Energy: 1.620106406524183
Energy: 1.6275793404581853
Energy: 1.6498679267173713
Energy: 1.6212775597274987
Energy: 1.6507242111792524
Energy: 1.6276187076241722
Energy: 1.6206161712110636
Energy: 1.6546363835881233
Energy: 1.664406543130881
Energy: 1.6486225354072583
Energy: 1.6277713616473488
Energy: 1.6223423730844695
Energy: 1.6512451618034292
Energy: 1.6498219245649837
Energy: 1.6498673273899302
Energy: 1.7871127461708944
Energy: 1.6621676545451816
Energy: 1.6522245343619202
Energy: 1.6278176260896655
Energy: 1.649692047754942
Energy: 1.7850807610588568
Energy: 1.6624277597972077
Energy: 1.656440803066159
Energy: 1.6532000055325473
Energy: 1.666622539406213
Energy: 1.6191184770123812
Energy: 1.6517949729582104
Energy: 1.64913378804826
Energy: 1.6519238396859235
Energy: 1.655662321302545
Energy: 1.6183333012192311
Energy: 1.6660980556837244
Energy: 1.6489780405256775
Energy: 1.650610420659379
Energy: 1.7087277341417386
Energy: 1.749136850400003
Energy: 1.6635171953544465
Energy: 1.6176181003455716
Energy: 1.627436234039064
Energy: 1.664365589758513
Energy: 1.7483477684908597
Energy: 1.661042273526032
Energy: 1.6157200548594721
Energy: 1.6280175540288573
Energy: 1.6494126130325473
Energy: 1.627219647347097
Energy: 1.644887799898051
Energy: 1.6251189584544434
Energy: 1.7585289586077213
Energy: 1.6483257928007895
Energy: 1.6447845591195476
Energy: 1.6449903732640387
Energy: 1.6236521351105522
Energy: 1.7611710279157748
Energy: 1.6564964778946263
Energy: 1.6513494300013578
Energy: 1.7499695321995787
Energy: 1.790907987471905
Energy: 1.660507894658763
Energy: 1.6499947678969045
Energy: 1.6530052660654382
Energy: 1.7518721852116537
Energy: 1.6632201093617125
Energy: 1.64803299555177
Energy: 1.6236066026342035
Energy: 1.6645413021383926
Energy: 1.6479707905493273
Energy: 1.6525205958419658
Energy: 1.7572436600465258
Energy: 1.6243567312465668
Energy: 1.6648972217171014
Energy: 1.618818520816022
Energy: 1.7926897745913577
Energy: 1.7568123100495006
Energy: 1.6142535768497652
Energy: 1.6597775656461848
Energy: 1.7859856641067533
Energy: 1.6609976529722983
Energy: 1.6293779199678842
Energy: 1.6163645190049323
Energy: 1.661226537381061
Energy: 1.7852905877488268
Energy: 1.6619661434748256
Energy: 1.6282731386019667
Energy: 1.7576838573365072
Energy: 1.6481979846371204
Energy: 1.646159567804091
Energy: 1.644254275529993
Energy: 1.648764913837083
Energy: 1.753016850436654
Energy: 1.6486471716394218
Energy: 1.6271968119962448
Energy: 1.6453557292068415
Energy: 1.6496860986404627
Energy: 1.6565443520342378
Energy: 1.6489618682870106
Energy: 1.6526260193440199
Energy: 1.7854341671947929
Energy: 1.7547690564680762
Energy: 1.6511083903887334
Energy: 1.6478555581110823
Energy: 1.6515322154451908
Energy: 1.7867962724565527
Energy: 1.7577591591709065
Energy: 1.788036270650871
Energy: 1.6223608256961506
Energy: 1.6264224645378509
Energy: 1.6470717032781674
Energy: 1.7922673684466879
Energy: 1.7863841219194883
Energy: 1.620310414194299
Energy: 1.6277072479425347
Energy: 1.6491618935069075
Energy: 1.7560017135426036
Energy: 1.6516998514197252
Energy: 1.6277703852221421
Energy: 1.619613110825694
Energy: 1.6530783178340744
Energy: 1.6639695633500988
Energy: 1.6487674488550952
Energy: 1.6276407745053663
Energy: 1.6216121937923667
Energy: 1.6509834696927912
Energy: 1.6496531355789972
Energy: 1.650211729881679
Energy: 1.7873358739390925
Energy: 1.6624008653128808
Energy: 1.6516615077591539
Energy: 1.6277109175992608
Energy: 1.6506782819220143
Energy: 1.7855457405578632
Energy: 1.6614276085253488
Energy: 1.6557163613528645
Energy: 1.656216840839497
Energy: 1.788775014261974
Energy: 1.6193528393743506
Energy: 1.656967534344802
Energy: 1.6500844138492319
Energy: 1.6518655283361836
Energy: 1.6636270107139897
Energy: 1.6183394128220578
Energy: 1.6655988028654836
Energy: 1.6498524473721405
Energy: 1.6500786104589609
Energy: 1.6648656154256007
Energy: 1.7489543554531617
Energy: 1.6694627782753824
Energy: 1.6183673941911478
Energy: 1.6275471135278803
Energy: 1.6659993029347782
Energy: 1.7481518283858988
Energy: 1.6623014425702858
Energy: 1.6160833680183186
Energy: 1.627937461759494
Energy: 1.6492612348720992
Energy: 1.6274429360254177
Energy: 1.645470514943388
Energy: 1.6251239021150066
Energy: 1.7589953489534311
Energy: 1.6486745818237787
Energy: 1.644070378570225
Energy: 1.6451549727545751
Energy: 1.623908533348272
Energy: 1.6530005505028926
Energy: 1.655426333560834
Energy: 1.650952735939042
Energy: 1.7488454635276534
Energy: 1.7899994958846845
Energy: 1.6589483290607057
Energy: 1.658358185753646
Energy: 1.6514717537368082
Energy: 1.7519879848730577
Energy: 1.6649726661387654
Energy: 1.6489485886239144
Energy: 1.6234278040291308
Energy: 1.6644519722682363
Energy: 1.6481345905583489
Energy: 1.6539729387415916
Energy: 1.7576185620259366
Energy: 1.6242050088164803
Energy: 1.664935657406549
Energy: 1.6188162964991084
Energy: 1.6568526628884055
Energy: 1.756581776990936

minimum gb energy = 1.6139665760101642 eV
minimum distance =  2.25601029139519 Angstroms
sigma value = 15


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

Energy: 2.7530565315981876
Energy: 1.7810369058572655
Energy: 1.8013433597857627
Energy: 1.6332027421483748
Energy: 1.8534756973106439
Energy: 1.850607267049327
Energy: 1.8108038549750172
Energy: 1.8002049005553997
Energy: 1.6328276388624243
Energy: 1.756479862585289
Energy: 1.607811995182453
Energy: 1.7238629077257763
Energy: 1.692242547404488
Energy: 1.6946764264261582
Energy: 1.78497991850962
Energy: 1.6141656227357233
Energy: 1.739666085131419
Energy: 1.6889486412899763
Energy: 1.7488181713313384
Energy: 1.632893267578794
Energy: 1.8581463629955357
Energy: 1.6781106695060684
Energy: 1.7441191583112596
Energy: 1.7488398659069107
Energy: 1.8837005622480738
Energy: 1.8416086805343717
Energy: 1.7347700135885717
Energy: 1.6300778642986622
Energy: 1.7244087148638936
Energy: 1.8513379459290966
Energy: 1.7274343664380267
Energy: 1.6396931008048636
Energy: 1.7368026100917473
Energy: 1.8844604731928605
Energy: 1.88102558273158
Energy: 1.7530921859447088
Energy: 1.7048066818351604
Energy: 1.7366621767700363
Energy: 1.8605763612398525
Energy: 1.8508311696164956
Energy: 1.8847504724320379
Energy: 1.8007543014791854
Energy: 1.7284135197842534
Energy: 1.6323360814548649
Energy: 1.7925443333112099
Energy: 1.88191465007004
Energy: 1.7993657919889952
Energy: 1.6115340105362177
Energy: 1.632936376367351
Energy: 1.607799053692354
Energy: 1.7193625971493682
Energy: 1.6305906099373226
Energy: 1.6308194667453162
Energy: 1.8750108317662526
Energy: 2.009543986359725
Energy: 1.6465889975117636
Energy: 1.632086966556028
Energy: 1.6318229881431798
Energy: 1.8848616050741411
Energy: 2.113562365000564
Energy: 1.6352765569238608
Energy: 1.6320429133811314
Energy: 1.6348099822801472
Energy: 1.6733426080591483
Energy: 1.8160731833543537
Energy: 1.6347403439922492
Energy: 1.6333557518535733
Energy: 1.6330515374840235
Energy: 1.6532920459657663
Energy: 1.8463320231910916
Energy: 1.6396190160811026
Energy: 1.6335995394483043
Energy: 1.6662952721323134
Energy: 1.7307472082683808
Energy: 1.8284774561706647
Energy: 1.6382013948152125
Energy: 1.6325459820625172
Energy: 1.6435673637176555
Energy: 1.7305271777629432
Energy: 1.742788259701765
Energy: 1.6358356025645873
Energy: 1.9860672574553042
Energy: 1.7653880904458763
Energy: 1.7324719760685292
Energy: 1.6322699204456061
Energy: 1.6339361811485429
Energy: 1.9908409132728089
Energy: 1.7221601405857752
Energy: 1.8355054975801641
Energy: 1.6502744532208933
Energy: 1.7981292449263624
Energy: 1.6325788260259588
Energy: 1.6599490634418654
Energy: 1.6491210306561963
Energy: 1.6556204139451116
Energy: 1.649897114896433
Energy: 1.6297489672431844
Energy: 1.6699984350381438
Energy: 1.6652801809380007
Energy: 1.6698183654829752
Energy: 1.794671112969778
Energy: 1.7140170838897497
Energy: 1.6579497183886884
Energy: 1.6499133331167863
Energy: 1.6524987210339102
Energy: 1.7434450289572356
Energy: 1.7447621188229852
Energy: 1.6633171655241599
Energy: 1.6633004927208292
Energy: 1.6658713401981664
Energy: 1.878223758958134
Energy: 1.7556851073947655
Energy: 1.6554011134842455
Energy: 1.6238583892027647
Energy: 1.7232016329513575
Energy: 1.8778242360751862
Energy: 1.7652150961424393
Energy: 1.6133256092260764
Energy: 1.6128849191363066
Energy: 1.7262596246506157
Energy: 1.775783181526994
Energy: 1.7226750514818425
Energy: 1.6374667967067549
Energy: 1.64005232434351
Energy: 1.693267083290229
Energy: 1.7742933665619272
Energy: 1.8509759854430858
Energy: 1.6352610011435
Energy: 1.851643955345114
Energy: 1.7947027721503028
Energy: 1.6850753976420498
Energy: 1.7381164723239428
Energy: 1.843817192439283
Energy: 1.7621876883677703
Energy: 1.7540393727125165
Energy: 1.6863950466636946
Energy: 1.731741527694482
Energy: 1.600332141076776
Energy: 1.7527030848734622
Energy: 1.7522962248486236
Energy: 1.6309798772692206
Energy: 1.743282057872382
Energy: 1.8675788810378113
Energy: 1.6848560601077298
Energy: 1.7544368958373333
Energy: 1.6627987771607746
Energy: 1.6716778192629647
Energy: 1.8821115908350432
Energy: 1.6853552619648329
Energy: 1.7722555380079275
Energy: 1.7184141348658089
Energy: 1.871976675496554
Energy: 1.6553065152111797
Energy: 1.751537836615409
Energy: 1.769304757973428
Energy: 1.7546666921483176
Energy: 1.8818339478929296
Energy: 1.6736460726020541
Energy: 1.7406242968680534
Energy: 1.7126214514363163
Energy: 1.6149972724913435
Energy: 1.7469578549035454
Energy: 1.9173473619422992
Energy: 1.9139993013316157
Energy: 1.787531922045496
Energy: 1.6166517503414013
Energy: 1.8096236972172035
Energy: 1.8593249578583817
Energy: 1.8600590175536742
Energy: 1.7636994166156197
Energy: 1.74287620941556
Energy: 1.9920307133112591
Energy: 1.9312749390819037
Energy: 1.7074907645972908
Energy: 1.6379212540322088
Energy: 1.7472364281346628
Energy: 1.9907525889339381
Energy: 1.9330643647730927
Energy: 1.7153032221761115
Energy: 1.635693059400612
Energy: 1.6352012499206263
Energy: 1.7285938322429215
Energy: 1.6796785074060856
Energy: 1.6326666980100977
Energy: 1.6422729677183219
Energy: 1.6341568693805275
Energy: 1.6744751681350734
Energy: 1.6475866624446194
Energy: 1.6336269244679467
Energy: 1.6523782805255962
Energy: 1.669471302461446
Energy: 1.7932161882437878
Energy: 1.7279185890055466
Energy: 1.6336756136851207
Energy: 1.6357307373401102
Energy: 1.6306363298662672
Energy: 1.7959540890619061
Energy: 1.722933209371269
Energy: 1.6335590057154152
Energy: 1.6370676083122424
Energy: 1.8599309480117194
Energy: 1.62714664533964
Energy: 1.6470993278383135
Energy: 1.6283598509910753
Energy: 1.6645397403247122
Energy: 1.8657417979811723
Energy: 1.6279845334600982
Energy: 1.6508503078686563
Energy: 1.9399478585260854
Energy: 1.7552563408720139
Energy: 1.6675880718034286
Energy: 1.6646583491158984
Energy: 1.7013872922473947
Energy: 1.9854457101355283
Energy: 1.6347434308328088
Energy: 1.667034696211949
Energy: 1.665328697472919
Energy: 1.7452334203749722
Energy: 1.9836749772207067
Energy: 1.63634055072472
Energy: 1.670751434425817
Energy: 1.6671572355528863
Energy: 1.6734958872347883
Energy: 1.7360588920858318
Energy: 1.6807645557062283
Energy: 1.6745356061549264
Energy: 1.6651987850751528
Energy: 1.709528937372669
Energy: 1.6992225546331294
Energy: 1.664519842204255
Energy: 1.6129739966732402
Energy: 1.654337670306538
Energy: 1.8815818710664582
Energy: 1.8854173695642993
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Energy: 1.6158157305933882
Energy: 1.7052659161128163
Energy: 1.8793389666334845
Energy: 1.8779025272208791
Energy: 1.9167059399597928
Energy: 1.6298989402342803
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Energy: 1.745561914015961
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Energy: 1.6065905086282157
Energy: 1.6279199492455008
Energy: 1.8158005184428463
Energy: 1.7450503615686164
Energy: 1.7481157382667127
Energy: 1.6321571646622497
Energy: 1.7369097257905026
Energy: 1.7858036420735728
Energy: 1.6838081146147803
Energy: 1.7738376981836628
Energy: 1.7748438863932854
Energy: 1.6294064607284882
Energy: 1.7819596594857128
Energy: 1.682910036664676
Energy: 1.7878157282170883
Energy: 1.697154671561899
Energy: 1.8669502904833566
Energy: 1.7223385052667266
Energy: 1.759293540141219
Energy: 1.7128686310406902
Energy: 1.6652564051520697
Energy: 1.84172681231881
Energy: 1.731800561082408
Energy: 1.7263154415223927
Energy: 1.7134829326239578
Energy: 1.8829572794083878
Energy: 1.6683575649993463
Energy: 1.8866962731982073
Energy: 1.8047628701834164
Energy: 1.9091529646709153
Energy: 1.8801730780597583
Energy: 1.6773698839722864
Energy: 1.792484318223777
Energy: 1.798424944273146
Energy: 1.8876143755526695
Energy: 1.8815519491867794
Energy: 1.9208484489170277
Energy: 1.7867091299754556
Energy: 1.7309731114763058
Energy: 1.7461632490686125
Energy: 1.8145310437858004
Energy: 1.922200909483398
Energy: 1.7656603462997857
Energy: 1.7316394399467903
Energy: 1.746425706689942
Energy: 1.721169506816788
Energy: 1.9679051683776556
Energy: 1.6332998545261765
Energy: 1.6339412094823327
Energy: 1.9185901033906412
Energy: 1.9303559954199916
Energy: 1.923682328702863
Energy: 1.6336546190970125
Energy: 1.6337285447685788
Energy: 1.9408751693390818
Energy: 1.9331373276391888
Energy: 1.6379282897353804
Energy: 1.631553443510085
Energy: 1.6352051748258147
Energy: 1.6872760314309994
Energy: 1.8339877760958705
Energy: 1.635724001870305
Energy: 1.6316719558791772
Energy: 1.6340219256769144
Energy: 1.6933304381721028
Energy: 1.9467390869174965
Energy: 1.641396108056305
Energy: 1.6353220948932532
Energy: 1.6477315395551653
Energy: 1.6283202031742303
Energy: 1.828525608003986
Energy: 1.6390426511044567
Energy: 1.6334316568885687
Energy: 1.6492873494552969
Energy: 1.7308183617607709
Energy: 1.7232013225339238
Energy: 1.8039626915544953
Energy: 1.8009162919130637
Energy: 1.7220258540558773
Energy: 1.7933183784303253
Energy: 1.6457444909823704
Energy: 1.7382217799231465
Energy: 1.659453511632143
Energy: 1.768170842877155
Energy: 1.793059873196416
Energy: 1.6618771066195237
Energy: 1.665100135324509
Energy: 1.9264965744293125
Energy: 1.71669606665828
Energy: 1.63916787135679
Energy: 1.6706457713312104
Energy: 1.6633434043302806
Energy: 1.925703700431387
Energy: 1.6353766061876494
Energy: 1.623331247438688
Energy: 1.658341890664985
Energy: 1.783204859279641
Energy: 1.669083979814482
Energy: 1.6617942081645614
Energy: 1.666310478411573
Energy: 1.6664630561835512
Energy: 1.7431484292354216
Energy: 1.6679798296844237
Energy: 1.658809438309339
Energy: 1.6475994578645452
Energy: 1.6542971876869021
Energy: 1.8781519479124107
Energy: 1.7768878213803483
Energy: 1.6115781395530182
Energy: 1.6122403572554256
Energy: 1.7250823552914878
Energy: 1.8775592886283432
Energy: 1.7892155840744313
Energy: 1.6305295233673187
Energy: 1.6229346741029598
Energy: 1.7233312179553242
Energy: 1.7723066342354867
Energy: 1.6143285285788986
Energy: 1.6318097577500639
Energy: 1.6407446846516198
Energy: 1.734324748012415
Energy: 1.777054744819312
Energy: 1.6375810367445343
Energy: 1.6707664651367249
Energy: 1.6455600541223752
Energy: 1.790780822484231
Energy: 1.6816012230819963
Energy: 1.7784540633184007
Energy: 1.7848704270145694
Energy: 1.6345448552195325
Energy: 1.6643528659828024
Energy: 1.682881495587252
Energy: 1.7714131942609974
Energy: 1.6426817859767169
Energy: 1.6567546493123655
Energy: 1.6640790629820852
Energy: 1.6819096503041662
Energy: 1.7510060777232392
Energy: 1.8801423436811013
Energy: 1.6857163071027166
Energy: 1.757265757782042
Energy: 1.6614797382195345
Energy: 1.7410754855093156
Energy: 1.8685089308899459
Energy: 1.6808798478123745
Energy: 1.7703534896771715
Energy: 1.9097131924822135
Energy: 1.8829402129906567
Energy: 1.881270376500502
Energy: 1.884523299324459
Energy: 1.7175784322321594
Energy: 1.9055762623886918
Energy: 1.8705517615827802
Energy: 1.8656615399167849
Energy: 1.8803816799466884
Energy: 1.6748973518607637
Energy: 1.6166109882537143
Energy: 1.831216264298155
Energy: 1.7239416775262557
Energy: 1.8554873044691353
Energy: 1.7289747049649624
Energy: 1.6353822508002882
Energy: 1.8662304729366634
Energy: 1.7348882393821372
Energy: 1.872951037992016
Energy: 1.733288728456571
Energy: 1.7908725490730155
Energy: 1.9631115823847283
Energy: 1.9891741651102317
Energy: 1.8469912151125647
Energy: 1.6372430914489864
Energy: 1.7539909274014256
Energy: 1.9920668432722382
Energy: 1.9595300612404984
Energy: 1.8079439854942914
Energy: 1.6330971624749044
Energy: 1.632797112119844
Energy: 1.8293780341291783
Energy: 1.6458292195830568
Energy: 1.6324779832828393
Energy: 1.6394239349262472
Energy: 1.635005831663012
Energy: 1.906164265309063
Energy: 1.6399530048561537
Energy: 1.635958874112205
Energy: 1.6424993810727504
Energy: 1.651051516237516
Energy: 1.792495292320235
Energy: 1.7198876079595173
Energy: 1.6319462954879576
Energy: 1.6353079364875884
Energy: 1.6487599057331004
Energy: 1.7927478064127846
Energy: 1.7081986003717413
Energy: 1.6304154828508322
Energy: 1.6347758264485404
Energy: 1.8482947167604074
Energy: 1.684305966716884
Energy: 1.6689267416078695
Energy: 1.6694477649767254
Energy: 1.7677585078176838
Energy: 1.8253473677435623
Energy: 1.6280229905707462
Energy: 1.6441920411846533
Energy: 1.6707630264591757
Energy: 1.7671155814939217
Energy: 1.6387315731146863
Energy: 1.635220080270142
Energy: 1.728751411960655
Energy: 1.9856698921518114
Energy: 1.6340823406760334
Energy: 1.6137372541024926
Energy: 1.6381589440704794
Energy: 1.7228528949040538
Energy: 1.9872251788997979
Energy: 1.6351247011254788
Energy: 1.6405945821050947
Energy: 1.6343624672041535
Energy: 1.6450167191702256
Energy: 1.6314895702839922
Energy: 1.6632287668142527
Energy: 1.6678884453192802
Energy: 1.6631211642354988
Energy: 1.6722093028046556
Energy: 1.7184375906740121
Energy: 1.6525845379180577
Energy: 1.6521245177911774
Energy: 1.6243395785621746
Energy: 1.8855849695040106
Energy: 1.8856953340201754
Energy: 1.8444469404388486
Energy: 1.623563955606246
Energy: 1.7104928786269062
Energy: 1.8832997919074936
Energy: 1.7501826552162079
Energy: 1.7565724995253948
Energy: 1.6595321211854914
Energy: 1.742886737395986
Energy: 1.745767239889719
Energy: 1.6319073756744613
Energy: 1.6004137638471736
Energy: 1.6324577380517988
Energy: 1.7804927933606043
Energy: 1.763386444675277
Energy: 1.7217852893366794
Energy: 1.6136052928532056

minimum gb energy = 1.600332141076776 eV
minimum distance =  2.21897358501627 Angstroms
sigma value = 437


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

Energy: 2.1907340516139633
Energy: 1.5177841576195665
Energy: 1.771797621315447
Energy: 1.5414219156853546
Energy: 1.5401002266578991
Energy: 2.1844447440028456
Energy: 1.6148342255113255
Energy: 1.773645827512748
Energy: 1.5414178078501284
Energy: 1.700774926326435
Energy: 1.50333074012498
Energy: 1.743597158685005
Energy: 1.8105239062901537
Energy: 1.8256989859200552
Energy: 1.7090940904723346
Energy: 1.5090080225954496
Energy: 1.7422640348249836
Energy: 1.8129547434629403
Energy: 1.7390306824647523
Energy: 1.5653091391895804
Energy: 1.6727137186462213
Energy: 1.6977877599997073
Energy: 1.7373930055799616
Energy: 1.5699005026078516
Energy: 1.6661327151617775
Energy: 1.6714398882571522
Energy: 1.6990976012013557
Energy: 1.7375592393693595
Energy: 1.56690075009414
Energy: 1.666707652917032
Energy: 1.566202587811436
Energy: 1.5676488469511114
Energy: 1.730259941041821
Energy: 1.6763384048641925
Energy: 1.6654230994181096
Energy: 1.5684169287674774
Energy: 1.5701432475224908
Energy: 1.7304726101787788
Energy: 1.6750402290855495
Energy: 1.6729808995969089
Energy: 1.557697996405324
Energy: 1.6135668689151579
Energy: 1.5700553671213402
Energy: 1.5861961259075021
Energy: 1.6814651188549516
Energy: 1.5562810512766783
Energy: 1.731032611731324
Energy: 1.576545500725439
Energy: 1.5723849885026007
Energy: 1.506480041465194
Energy: 1.6081956829156894
Energy: 1.5652100462135041
Energy: 1.5066557883239426
Energy: 1.563240026022151
Energy: 1.6455636075529292
Energy: 1.6084061944527488
Energy: 1.564839171699981
Energy: 1.5062665364150023
Energy: 1.558902856820438
Energy: 2.1928884595699767
Energy: 1.6792960738416194
Energy: 1.6725270807276225
Energy: 1.6605035421576344
Energy: 1.5695423214251052
Energy: 1.5812698659445
Energy: 1.6770001300732182
Energy: 1.6701169776315696
Energy: 1.6689956942616124
Energy: 1.5700037366526765
Energy: 1.5805412003306876
Energy: 1.7009702374294358
Energy: 1.6704104888889333
Energy: 1.5649271248951493
Energy: 1.5701309031189148
Energy: 1.7405141973589002
Energy: 1.6995111552767124
Energy: 1.6681955180899897
Energy: 1.5641172546876365
Energy: 1.5674656928869795
Energy: 1.7409079432189571
Energy: 1.566982078382494
Energy: 1.731802436746474
Energy: 1.6153669846716205
Energy: 1.5796387494808866
Energy: 1.566475204563843
Energy: 1.5648588585308723
Energy: 1.7299359757446608
Energy: 1.6162553561747812
Energy: 1.580799996829896
Energy: 1.56445493526978
Energy: 1.5110509286908818
Energy: 1.569144269089771
Energy: 1.5167323799794472
Energy: 1.5167807598008798
Energy: 1.6169444167012978
Energy: 1.5531620107875084
Energy: 1.560148376901592
Energy: 1.5188624723940998
Energy: 1.517509293793303
Energy: 1.6241987725995446
Energy: 1.5112373175371534
Energy: 1.509039821830648
Energy: 1.515820881428755
Energy: 1.6468107889326107
Energy: 1.511450879726989
Energy: 1.50879763245008
Energy: 1.5080743894039617
Energy: 1.6160658864192505
Energy: 1.6470211055456783
Energy: 1.5667713258851121
Energy: 1.509406221189953
Energy: 1.5187965190199901
Energy: 1.5173727422093797
Energy: 1.703708434866957
Energy: 1.5135765933565926
Energy: 1.5069207593191507
Energy: 1.5141097272683655
Energy: 1.5200218651641146
Energy: 1.7041493945389636
Energy: 1.5120491274340335
Energy: 1.511201918872782
Energy: 1.5166256791271042
Energy: 1.7303285613138844
Energy: 1.7327611175068354
Energy: 1.5127444953265783
Energy: 1.5118242742294181
Energy: 1.5652516224105624
Energy: 1.731117712176365
Energy: 1.7342537091189107
Energy: 1.5092022541697783
Energy: 1.7088880304424847
Energy: 1.5224468504965007
Energy: 1.7899762855509866
Energy: 1.5202412985286717
Energy: 1.5110507808679885
Energy: 1.8166845797311744
Energy: 1.5157699140654948
Energy: 1.649545462831828
Energy: 1.5193084178250496
Energy: 1.6024983103627892

minimum gb energy = 1.50333074012498 eV
minimum distance =  2.28026254001892 Angstroms
sigma value = 33