Model name: model_name=MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_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=3.5213917419314393
cohesive_energy=4.450350014970536
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=[2.46424379369004e-19, 3.2431099207764596e-19, 3.8238669070687797e-19, 4.2934809002605197e-19, 4.68817711404642e-19, 5.02724575509984e-19, 5.322430778147999e-19, 5.58159887046384e-19, 5.810293563201e-19, 6.01261642854252e-19, 6.1917237544573795e-19, 6.35011493649462e-19, 6.48982473897942e-19, 6.612487382078459e-19, 6.719496759463319e-19, 6.81202246007682e-19, 6.89110589873106e-19, 6.95759622904206e-19, 7.012278517560479e-19, 7.055809656706259e-19, 7.088798473600319e-19, 7.11180573006456e-19, 7.1252800355565e-19, 7.1296860213e-19, 7.12492755669702e-19, 7.109514617477939e-19, 7.081444482850259e-19, 7.038361953161999e-19, 6.977431175770979e-19, 6.895223492680439e-19, 6.787573244641979e-19, 6.64941755349216e-19, 6.474539973891059e-19, 6.2552981232945e-19, 5.982159050730179e-19, 5.6432346055738195e-19, 5.223480349232159e-19, 4.70376629269524e-19, 4.0594830028648193e-19, 3.2586510341262596e-19, 2.25913314100536e-19, 1.0047233650047659e-19, -5.806480382812079e-20, -2.60190281008332e-19, -5.206417168080059e-19, -8.605915550101259e-19, -1.3112662182113519e-18, -1.9200965434846197e-18, -2.76173595109116e-18, -3.95894641908132e-18, -5.724208612656179e-18, -8.450680656032999e-18, -1.2930478677061378e-17, -2.09550284137494e-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: 0.020466031121807223
Energy: 0.024401177219900216
Energy: 0.15551937374406713
Energy: 0.15538946235784118
Energy: 0.023666809996367496
Energy: 0.022278125842491156
Energy: 0.1550561950270286
Energy: 0.1565447837719621
Energy: 0.1563880381949687
Energy: 0.02310118433841854
Energy: 0.025835335716591357
Energy: 0.693120331809418
Energy: 0.15556205251389532
Energy: 1.6275400376220228
Energy: 0.15545755006916578
Energy: 0.1557821433461446
Energy: 0.693151393843683
Energy: 0.1554545730549434
Energy: 1.6242967286486762
Energy: 0.1570703088300822
Energy: 0.15528667132321286
Energy: 0.02336755850186771
Energy: 0.02100268255206785
Energy: 0.15613695874580794
Energy: 1.0841276666466053
Energy: 0.1551321926216045
Energy: 0.02268297850171189
Energy: 0.0211342766164483
Energy: 0.1553959657927275
Energy: 1.0841803804186654
Energy: 0.15525220181153648
Energy: 0.02191097712583086
Energy: 0.021533981071438134
Energy: 0.6936148383492408
Energy: 0.15572572944297491
Energy: 0.1553874256731396
Energy: 0.0222006165043247
Energy: 0.021331285068126694
Energy: 0.6939363962664457
Energy: 0.15615915083453416
Energy: 0.15710424781079965
Energy: 0.15650831604219337
Energy: 0.15541273990986829
Energy: 0.021905629993653284
Energy: 0.02134796449268691
Energy: 0.15527090821965017
Energy: 0.15694912681918696
Energy: 0.15537771139716972
Energy: 0.02256735409005126
Energy: 0.6940608932640148
Energy: 0.15517502386009643
Energy: 1.0869215858075705
Energy: 0.15647211184737514
Energy: 0.021619400483244226
Energy: 0.0241121827337997
Energy: 0.15547672038977983
Energy: 1.0849134616201341
Energy: 0.15706407116245708
Energy: 0.021753827110231078
Energy: 0.025031528165585536
Energy: 0.025256119772858084
Energy: 0.15555967353376074
Energy: 1.0848762261505993
Energy: 0.156701534967713
Energy: 0.693438723048564
Energy: 0.02514746050213629
Energy: 0.6937082730811293
Energy: 0.15504363715493225
Energy: 0.1574510850627373
Energy: 0.6932919217159138

minimum gb energy = 0.020466031121807223 eV
minimum distance =  2.2454198691784 Angstroms
sigma value = 3


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

Energy: 1.7608108319567153
Energy: 1.5900720113471267
Energy: 1.5242872697128886
Energy: 1.5465380937302933
Energy: 1.570329396215021
Energy: 1.5730188753497327
Energy: 1.5560187282853737
Energy: 1.5157935277582328
Energy: 1.5197207046907617
Energy: 1.5949029474562342
Energy: 1.595572093063637
Energy: 1.6303392457805
Energy: 1.5342119408170212
Energy: 1.4867908104023484
Energy: 1.1796777077862604
Energy: 1.3809498445320953
Energy: 1.6563368676613075
Energy: 1.5194099218972081
Energy: 1.496905818871892
Energy: 1.4525196394594886
Energy: 1.4455040456843895
Energy: 1.6385046816065159
Energy: 1.323656644574657
Energy: 1.1797817181919295
Energy: 1.4588599191401144
Energy: 1.1787651004451107
Energy: 1.759075024022912
Energy: 1.5741540574151478
Energy: 1.441032752960308
Energy: 1.448971742441001
Energy: 1.4395904058244087
Energy: 1.6395345289161705
Energy: 1.7568736156730802
Energy: 1.1826216495025907
Energy: 1.3813049281017604
Energy: 1.177831881851937
Energy: 1.5674237549124357
Energy: 1.7590240620419795
Energy: 1.6356361461096156
Energy: 1.4519641518236288
Energy: 1.773121266355717
Energy: 1.5558361276564925
Energy: 1.5908972282181972
Energy: 1.7340577955409682
Energy: 1.568666242209074
Energy: 1.766180978992343
Energy: 1.5738588298144984
Energy: 1.5805955712177386
Energy: 1.701811215786332
Energy: 1.543553184299939
Energy: 1.6004086249630038
Energy: 1.7555263932957141
Energy: 1.52536167416609
Energy: 1.3054257135395206
Energy: 1.6857887680617492
Energy: 1.6397895548596457
Energy: 1.7560500199842575
Energy: 1.5598114578229083
Energy: 1.5115389551740177
Energy: 1.6692142488124715
Energy: 1.5274640642157997
Energy: 1.736836035441688
Energy: 1.7154654636868016
Energy: 1.4301467643745944
Energy: 1.5756424900674186
Energy: 1.5535707945806652
Energy: 1.5239976721961128
Energy: 1.5147431582324697
Energy: 1.510678677928491
Energy: 1.528910933253133
Energy: 1.5085444441483906
Energy: 1.5521306629154394
Energy: 1.605724546120478
Energy: 1.6404068518376493
Energy: 1.548270817631799
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Energy: 1.6486621827106487
Energy: 1.6383009831307291
Energy: 1.5313342174361741
Energy: 1.570852219210751
Energy: 1.6339320642827662
Energy: 1.4251623547473218
Energy: 1.8151598684080716
Energy: 1.6535856811667464
Energy: 1.5714579541014424
Energy: 1.6225462258747445
Energy: 1.5491720224874315
Energy: 1.7691382873729642
Energy: 1.691580254846368
Energy: 1.5961837166216808
Energy: 1.4472140597567507
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Energy: 1.2265761587762862
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Energy: 1.254877478446116
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Energy: 1.7180844578570023
Energy: 1.3285869867402391
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Energy: 1.5925387907228783
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Energy: 1.4261664688363378
Energy: 1.3790878039202763
Energy: 1.5273781770583204
Energy: 1.643475308959714
Energy: 1.596124219605679
Energy: 1.4300820005111694
Energy: 1.2371249137241538
Energy: 1.5236740430979079
Energy: 1.8016975186384163
Energy: 1.7596579168393969
Energy: 1.6972443027310207
Energy: 1.550327256097453
Energy: 1.5138697289870473
Energy: 1.5653810921083453
Energy: 1.5690664148994116
Energy: 1.575592160428669
Energy: 1.5998380952995241
Energy: 1.5170500287447093
Energy: 1.5319750302112047
Energy: 1.6032786235921241
Energy: 1.5767340464853052
Energy: 1.7496254775187756
Energy: 1.5438362934832848
Energy: 1.5648753770323631
Energy: 1.2315558816761452
Energy: 1.1171970500398578
Energy: 1.5692762878019544
Energy: 1.5337837349382641
Energy: 1.567457324857168
Energy: 1.3165309019586535
Energy: 1.4197993566503224
Energy: 1.6207314468536829
Energy: 1.5349010373385612
Energy: 1.4595688762920584
Energy: 1.223621890738808
Energy: 1.244474867402852
Energy: 1.808660139204462
Energy: 1.3235301274192501
Energy: 1.385059168992405
Energy: 1.3795597661878918
Energy: 1.39196822352732
Energy: 1.5492650970202175
Energy: 1.75894932526865
Energy: 1.2545718847990477
Energy: 1.2135979109820658
Energy: 1.2314733678819665
Energy: 1.5368526829083886
Energy: 1.7587668620943606
Energy: 1.6242496512843052
Energy: 1.2127977837240154
Energy: 1.7282492785049057
Energy: 1.5811631368417318
Energy: 1.5972072363734304
Energy: 1.716558288157931
Energy: 1.4249364155125988
Energy: 1.634858212778328
Energy: 1.5323403264906348
Energy: 1.5966671225302715
Energy: 1.706405133733192
Energy: 1.4617006121842273
Energy: 1.6028658940147773
Energy: 1.7514723101279603
Energy: 1.6198867160080574
Energy: 1.316326596653914
Energy: 1.5864065615246754
Energy: 1.6436597409176663
Energy: 1.7576843666807305
Energy: 1.5551714910919363
Energy: 1.4459219340140375
Energy: 1.557127950323754
Energy: 1.5232811506326012
Energy: 1.5018056091196104
Energy: 1.5410983861655414
Energy: 1.5663789602262554
Energy: 1.507900048056461
Energy: 1.5302168332433022
Energy: 1.5738526540300148
Energy: 1.6400025231174546
Energy: 1.5041408927418713
Energy: 1.5334011560118441
Energy: 1.5101492427845695
Energy: 1.5455779823123794
Energy: 1.6580247007939928
Energy: 1.6431379506399708
Energy: 1.552874100462406
Energy: 1.5120363501323222
Energy: 1.543233530213088
Energy: 1.6417743025959821
Energy: 1.6398662313943615
Energy: 1.5742266830312075
Energy: 1.5745073881622793
Energy: 1.5105097624321109
Energy: 1.5400926466050737
Energy: 1.6739655405869625
Energy: 1.6439561898115729
Energy: 1.5781592634052648
Energy: 1.5190170506398488
Energy: 1.540113972784632
Energy: 1.6911485941778308
Energy: 1.536729515398723
Energy: 1.329930435233602
Energy: 1.4415890165627605
Energy: 1.3024673053028197
Energy: 1.5899194774113026
Energy: 1.8032874956528104
Energy: 1.413789131273577
Energy: 1.4502351821670418
Energy: 1.3021288021005366
Energy: 1.5066851267189585
Energy: 1.8041636937936785
Energy: 1.5462025371361785
Energy: 1.3220170390847212
Energy: 1.3947677177556357
Energy: 1.3400553316916362
Energy: 1.526625394234939
Energy: 1.5581552861943893
Energy: 1.3435045178918938
Energy: 1.4217368164124147
Energy: 1.298651604107807
Energy: 1.8049812978041098
Energy: 1.7229446783964957
Energy: 1.5783192029411282
Energy: 1.504702347799597
Energy: 1.6354977465411393
Energy: 1.5397912149660842
Energy: 1.5788758179295623
Energy: 1.413343426274398
Energy: 1.504967552710741
Energy: 1.677602215252073
Energy: 1.5139714705216614
Energy: 1.6825353649762476
Energy: 1.444939617315862
Energy: 1.6826522524057332
Energy: 1.7579270078649312
Energy: 1.6378674371715873
Energy: 1.42207069887582
Energy: 1.7301225993297484
Energy: 1.443791166467519
Energy: 1.7519034189308875
Energy: 1.5979866203293158
Energy: 1.491474555140389
Energy: 1.4564367160740408
Energy: 1.5144416316421008
Energy: 1.7498214246427175
Energy: 1.6825411871798734
Energy: 1.3773462847100515
Energy: 1.1911765362904196
Energy: 1.4967849980562067
Energy: 1.6499802845885883
Energy: 1.5778770810836031
Energy: 1.7535735410532374
Energy: 1.5481040526543746
Energy: 1.502050114522837
Energy: 1.55463263227063
Energy: 1.587281110676338
Energy: 1.579196367119537
Energy: 1.5765457349529501
Energy: 1.5104367407880896
Energy: 1.5533510503635886
Energy: 1.6148674549489588

minimum gb energy = 1.1171970500398578 eV
minimum distance =  2.17776648526796 Angstroms
sigma value = 75


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

Energy: 2.3713522695077986
Energy: 1.3695564884120808
Energy: 1.3797900648840327
Energy: 1.6130114178353865
Energy: 1.397461168004612
Energy: 1.7844184933301868
Energy: 1.3897435945975531
Energy: 1.395533786498981
Energy: 1.6152844468651406
Energy: 1.3681367863860525
Energy: 1.3800549485818312
Energy: 1.4511379290670634
Energy: 1.3823779763386825
Energy: 1.4200399938935377
Energy: 1.4069621483603127
Energy: 1.396522135515452
Energy: 1.4363323618551793
Energy: 1.3908028161819235
Energy: 1.4274327269667733
Energy: 1.5537593330983759
Energy: 1.4746042127931944
Energy: 1.782612297217207
Energy: 1.401938606608954
Energy: 1.4027415843355506
Energy: 1.3770668038776024
Energy: 1.401668833000463
Energy: 1.7844180113705213
Energy: 1.4030466261625978
Energy: 1.4519530220551295
Energy: 1.3768232670597182
Energy: 1.5169815897965009
Energy: 1.4399578633340333
Energy: 1.5461206856614345
Energy: 1.4299503371826014
Energy: 1.3818966831363362
Energy: 1.4161328607716108
Energy: 1.3829878982276025
Energy: 1.4058953317007084
Energy: 1.4970743428256528
Energy: 1.3820170831336591
Energy: 1.719755943770665
Energy: 1.3374740328674108
Energy: 1.7330177489149587
Energy: 1.6835611743993861
Energy: 1.300397292228588
Energy: 1.6659156665517043
Energy: 1.2918001865443358
Energy: 1.722398121095376
Energy: 1.6766015473670999
Energy: 1.6418657031837744
Energy: 1.4094142861540344
Energy: 1.8123710532924693
Energy: 1.4151170664937374
Energy: 1.4278350676948992
Energy: 1.6146523180629613
Energy: 1.3909488022315561
Energy: 1.7637942630959265
Energy: 1.4016352772167662
Energy: 1.433153144257894
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Energy: 1.4710333557045057
Energy: 1.475740013437008
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Energy: 1.3796942889774362
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Energy: 1.4353118589789104
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Energy: 1.6353200127563068
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Energy: 1.3163915030666826
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Energy: 1.6518184110693523
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Energy: 1.4214164841099655
Energy: 1.6623122029369752
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Energy: 1.4356399694632123
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Energy: 1.456685393218674
Energy: 1.4243451069912865
Energy: 1.4788246584098668
Energy: 1.3273280621182773
Energy: 1.4707444308831932
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Energy: 1.375745045084743
Energy: 1.4509407498140086
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Energy: 1.4806735081464388
Energy: 1.403553691548524
Energy: 1.3808840023766773
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Energy: 1.4329386645821676
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Energy: 1.3860474576890935
Energy: 1.8627636662921645
Energy: 1.6683889016684208
Energy: 1.3926185031596923
Energy: 1.323899648221321
Energy: 1.4440505584984726
Energy: 1.8616288626860586
Energy: 1.6671389687105664
Energy: 1.3836449257285728
Energy: 1.2974265947737027
Energy: 1.438849143951403
Energy: 1.6803430882966226
Energy: 1.4449026824041942
Energy: 1.2766048366127636
Energy: 1.4043551799258853
Energy: 1.4355909968156462
Energy: 1.6781212111458386
Energy: 1.4526208864020285
Energy: 1.2697520567496767
Energy: 1.6112405202986548
Energy: 1.4558263071732434
Energy: 1.4846240745516934
Energy: 1.3677957613074565
Energy: 1.3890565130200054
Energy: 1.4855202597932686
Energy: 1.7501117146606868
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Energy: 1.4278586460819023
Energy: 1.3927940954789881
Energy: 1.4225193731330708
Energy: 1.3854196012897473
Energy: 1.4860430518804641
Energy: 1.3784722158495157
Energy: 1.3745815144668314
Energy: 1.4750834117097205
Energy: 1.777651228731865
Energy: 1.4290377726700754
Energy: 1.3783637354420077
Energy: 1.374541745269933
Energy: 1.4727460543581483
Energy: 1.4038530547389256
Energy: 1.346945200685482
Energy: 1.4195999833117312
Energy: 1.3708010001210695
Energy: 1.4673037201489183
Energy: 1.3754995052902221
Energy: 1.6276567821178551
Energy: 1.4402467687907319
Energy: 1.4121518018453407
Energy: 1.4727029759442007
Energy: 1.4202359529716828
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minimum gb energy = 1.2696940886281385 eV
minimum distance =  2.20024938699749 Angstroms
sigma value = 105


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

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Energy: 1.526710437670999
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Energy: 1.461753205621706
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Energy: 1.470433706702424
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Energy: 1.509275701571927
Energy: 1.4512854709497318
Energy: 1.4295539598661593
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Energy: 1.4626518586341908
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Energy: 1.5343929742634017
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Energy: 1.4756334506570234
Energy: 1.4595070221368125
Energy: 1.4943805970545492
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Energy: 1.484180270711775
Energy: 1.4846258713700915
Energy: 1.4867862903949092
Energy: 1.4687146772538862
Energy: 1.4714975586481542
Energy: 1.4639234800854355
Energy: 1.483138547302912
Energy: 1.616836689051104
Energy: 1.4256046162477607
Energy: 1.4648910954049443
Energy: 1.4666251294101833
Energy: 1.5598409208315802
Energy: 1.5107414017857659
Energy: 1.4302706150990105
Energy: 1.4661541858100884
Energy: 1.465666817764844
Energy: 1.4461746677683731
Energy: 1.4814794357031005
Energy: 1.5422442441737192
Energy: 1.3526481894343874
Energy: 1.4355116018248928
Energy: 1.426630126791515
Energy: 1.4638704558491658
Energy: 1.5590691691075502
Energy: 1.3514762199112351
Energy: 1.4304925320640527
Energy: 1.4250255622441612
Energy: 1.5992588905744538
Energy: 1.5703541257409868
Energy: 1.3672881251924527
Energy: 1.4603011461412032
Energy: 1.4684173397908824
Energy: 1.3690158387360096
Energy: 1.5705319191120037
Energy: 1.3657714701404062
Energy: 1.435518292884051
Energy: 1.4950190374297636
Energy: 1.381775384687595
Energy: 1.4744438696434339
Energy: 1.5479145654359827
Energy: 1.5028110894980538
Energy: 1.481084403832222
Energy: 1.5389167381053488
Energy: 1.4671405951730525
Energy: 1.5304198026578466
Energy: 1.5484400625002965
Energy: 1.4814639079997556
Energy: 1.5341923615401158
Energy: 1.4310267263005736
Energy: 1.5398604580796844
Energy: 1.5043642210984733
Energy: 1.350414086956432
Energy: 1.4688609698015231
Energy: 1.4314659352712273
Energy: 1.5396408444822003
Energy: 1.3666977329748313
Energy: 1.3514740857760759
Energy: 1.49468171181215
Energy: 1.6974084546516355
Energy: 1.3603703814615178
Energy: 1.4060241634990644
Energy: 1.4067239994714726
Energy: 1.3475354957608976
Energy: 1.5298289433435395
Energy: 1.3486100839272788
Energy: 1.3950029875073988
Energy: 1.3499313314959052
Energy: 1.5268205229493914

minimum gb energy = 1.3191128971511805 eV
minimum distance =  2.25807496811044 Angstroms
sigma value = 165


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

Energy: 1.7103506380135562
Energy: 1.3647592749621977
Energy: 1.4129083805939153
Energy: 1.361233837518487
Energy: 1.3634197136222508
Energy: 1.7115124510506425
Energy: 1.3412722284582728
Energy: 1.346639143156652
Energy: 1.3624976859974747
Energy: 1.3657103521861391
Energy: 1.4413093433072663
Energy: 1.419822998736957
Energy: 1.3776202816673278
Energy: 1.3431827867009583
Energy: 1.3856860565898523
Energy: 1.4277729587512853
Energy: 1.418836776213096
Energy: 1.3409186191007834
Energy: 1.3436943056883932
Energy: 1.3833660897659705
Energy: 1.4192812827343253
Energy: 1.3880337866238897
Energy: 1.515228991570688
Energy: 1.4491521151140525
Energy: 1.364274794224459
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Energy: 1.3665866553550305
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Energy: 1.8945615119602661
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Energy: 1.3462181097766661
Energy: 1.4358508517145812
Energy: 1.3871164622897822
Energy: 1.339592811344112
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Energy: 1.367919131776945
Energy: 1.3832873224330011
Energy: 1.4871160635056608
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Energy: 1.4208848656634543
Energy: 1.3822036936635171
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Energy: 1.4163582220798425
Energy: 1.3608063031112285
Energy: 1.4213574116514196
Energy: 1.3833866702627977
Energy: 1.3639234200835926
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Energy: 1.4277212453409134
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Energy: 1.3672943822577774
Energy: 1.4194346845336077
Energy: 1.4199895302799619
Energy: 1.4274424145997044
Energy: 1.3886650648727383
Energy: 1.720738419711469
Energy: 1.4889060552645788
Energy: 1.3484410169258225
Energy: 1.4253683742455863
Energy: 1.4225966663590515
Energy: 1.3638054682649476
Energy: 1.426100128372489
Energy: 1.340738693875919
Energy: 1.421734762643237
Energy: 1.4211278661890476
Energy: 1.3671014309441634
Energy: 1.4387977285784008
Energy: 1.6443409407925602
Energy: 1.343590088270523
Energy: 1.3410076735581766
Energy: 1.4074155508194246
Energy: 1.4265095520857056
Energy: 1.3732409201821454
Energy: 1.3412651415863528
Energy: 1.3413326735528488
Energy: 1.4092282419118676
Energy: 1.3949527569334217
Energy: 1.4268520998484948
Energy: 1.382810962811965
Energy: 1.30300646213088
Energy: 1.3430058068015
Energy: 1.3892766948293893
Energy: 1.4268570957644742
Energy: 1.3396983608621456
Energy: 1.3086630653077669
Energy: 1.3433869001479486
Energy: 1.4421045349300383
Energy: 1.3944859650935053
Energy: 1.3582876278404887
Energy: 1.4497549993447016
Energy: 1.4180650493555826
Energy: 1.4404062300719769
Energy: 1.3942382713152954
Energy: 1.3571156413776446
Energy: 1.4496369614690883
Energy: 1.4197822397314543

minimum gb energy = 1.30300646213088 eV
minimum distance =  2.25264603647878 Angstroms
sigma value = 41


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

Energy: 1.4398426024378304
Energy: 1.1888003599340264
Energy: 1.2886336979120434
Energy: 1.2177874246871139
Energy: 1.2962797382536115
Energy: 1.4068270281326059
Energy: 1.1884891112590885
Energy: 1.2459604559361488
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Energy: 1.3515463111885806
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Energy: 1.2667610827667666
Energy: 1.3116958470667006
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Energy: 1.2425821955490726
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Energy: 1.225312237462839
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Energy: 1.2345041045068095
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Energy: 1.285079410100108
Energy: 1.2851656648418228
Energy: 1.3223078181781722
Energy: 1.2907839951311442
Energy: 1.3066701709002344
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Energy: 1.2944638273759634
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Energy: 1.255800369624722
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Energy: 1.264367291239835
Energy: 1.2667521627278004
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Energy: 1.3280801515152072
Energy: 1.342642476451805
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Energy: 1.4386230861019877
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Energy: 1.3096643025968155
Energy: 1.267053730831098
Energy: 1.3531764414328926
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Energy: 1.2897300709191164
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Energy: 1.3535680451677194
Energy: 1.3321138889630089
Energy: 1.2999831585591113
Energy: 1.2716033030667533
Energy: 1.3125595781412513
Energy: 1.3039171302614394
Energy: 1.3188438391863937
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Energy: 1.3605774991553128
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Energy: 1.3115415831595718
Energy: 1.2648409943851104
Energy: 1.2834427938554063
Energy: 1.3591729000445758
Energy: 1.2943318420841874
Energy: 1.2610298094823533
Energy: 1.2725571239148812
Energy: 1.3081058902865708
Energy: 1.371868200218852
Energy: 1.2936651855226338
Energy: 1.2717603342364958
Energy: 1.3104540446155688
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Energy: 1.3090742695308437
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Energy: 1.3279295645215772
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Energy: 1.2610269606074243
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Energy: 1.2401425609707437
Energy: 1.308419372074895
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Energy: 1.3689105216986157
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Energy: 1.271066162276001
Energy: 1.3037829287273286
Energy: 1.221006321695609
Energy: 1.2473684494944148
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Energy: 1.2159047977407698
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Energy: 1.220514386858879
Energy: 1.282520576093045
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Energy: 1.2532050934051744
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Energy: 1.3121308609817575
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Energy: 1.4533514826832552
Energy: 1.3456497455729552
Energy: 1.2753138194399107
Energy: 1.3210947243301532
Energy: 1.3170967927034187
Energy: 1.440951906666388
Energy: 1.31159320215608
Energy: 1.5877673689373686
Energy: 1.301279796347478
Energy: 1.272175978967836
Energy: 1.3341889521495849
Energy: 1.3236268669630191
Energy: 1.3769576884914487
Energy: 1.3006110948962601
Energy: 1.2709682793821735
Energy: 1.2953101710544561
Energy: 1.3478579870280867
Energy: 1.2680608603005656
Energy: 1.2681739966834524
Energy: 1.2892969865722375
Energy: 1.324728998121795
Energy: 1.2817279955463123
Energy: 1.2620812186549772
Energy: 1.2737235124149056
Energy: 1.2772566515746129
Energy: 1.3049658343567694
Energy: 1.2741385829836762
Energy: 1.3077798731621466
Energy: 1.340512190666278
Energy: 1.3715339464323428
Energy: 1.3102506023909688
Energy: 1.2697894377586592
Energy: 1.3269071151875025
Energy: 1.3402706278113348
Energy: 1.3705770992152655
Energy: 1.309347967468334
Energy: 1.398340782671592
Energy: 1.2478401209195136
Energy: 1.2437890950397246
Energy: 1.2406507925261019
Energy: 1.2696031786517887
Energy: 1.2470522893685312
Energy: 1.2570253159897213
Energy: 1.2424132195382913
Energy: 1.2412212034384962
Energy: 1.2380293979086632
Energy: 1.3049141231830554
Energy: 1.2442476577881705
Energy: 1.2681658989136138
Energy: 1.2605814682915863
Energy: 1.2383527116842479
Energy: 1.294295186034415
Energy: 1.2397187461624997
Energy: 1.2654472920755717
Energy: 1.263825795565838
Energy: 1.3003576622804323
Energy: 1.3480521621623935
Energy: 1.283131562388754
Energy: 1.3407149901352446
Energy: 1.2814656544189604
Energy: 1.3225236301813132
Energy: 1.2726065418200092
Energy: 1.2694478635427586
Energy: 1.3373036364682658
Energy: 1.320377485049934
Energy: 1.3089552366903743
Energy: 1.2461185439415754
Energy: 1.3867365677837442
Energy: 1.3864991714619663
Energy: 1.2446863073312575
Energy: 1.5097142129604597
Energy: 1.1954947347323819
Energy: 1.349870394674289
Energy: 1.351449804239697
Energy: 1.3074558473764801

minimum gb energy = 1.1884891112590885 eV
minimum distance =  2.25467086647766 Angstroms
sigma value = 185


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

Energy: 0.9222634807448357
Energy: 0.8550571011607734
Energy: 1.2201628733158218
Energy: 0.9373775228003068
Energy: 0.5428396818495332
Energy: 0.5429304098206386
Energy: 0.9090985753321543
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Energy: 1.2088446941587574
Energy: 1.116286458603086
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Energy: 1.0891455010969158
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Energy: 1.1804830502858599
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Energy: 1.1551633988254115
Energy: 1.2290840105678817
Energy: 1.2110491685276967
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Energy: 0.7076493800704579
Energy: 1.0563610615133416
Energy: 1.2004159389470013
Energy: 1.1393551337484331
Energy: 0.5975146204192402
Energy: 0.5970445128193648
Energy: 1.1150393742507936
Energy: 1.2244263946315417
Energy: 1.1655337525627036
Energy: 1.1060352736549635
Energy: 1.115828355305438
Energy: 1.216883730707008
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Energy: 1.138128660702511
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Energy: 1.1253946686715848
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Energy: 1.2120893807384647
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Energy: 0.5425104766866793
Energy: 1.1995190446537316
Energy: 1.1937318394361884
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Energy: 0.7158284264002092
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Energy: 1.24004212638971
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Energy: 0.5428095125819712
Energy: 1.129432764750134
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Energy: 1.22411887124655
Energy: 0.6637563055952336
Energy: 0.7165530807893986
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Energy: 1.1144625910323527
Energy: 1.2056827577884488
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Energy: 1.1814679238293597
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Energy: 1.194153351605008
Energy: 0.6522361266456069
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Energy: 0.5422761426326032
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Energy: 0.6521305120546296
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Energy: 1.2084111061865659
Energy: 1.21551190863328
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Energy: 1.2647815695242373
Energy: 0.5447225963259438
Energy: 1.1582271946928888
Energy: 1.219260597502044
Energy: 1.2112611041529393
Energy: 1.2413260579122676
Energy: 1.2430215882063256
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Energy: 1.1586659139165525
Energy: 1.1880918203870898
Energy: 0.6647686811952433
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Energy: 1.2275241198081328
Energy: 1.1887356395225128
Energy: 1.1866313331050697
Energy: 0.6147088182918352
Energy: 0.5422615302484085
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Energy: 1.1579794661681717
Energy: 0.7076552871621009
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Energy: 1.2409781710945536
Energy: 1.1737461176222472
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Energy: 0.5419216608738052
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Energy: 1.225705811891048
Energy: 1.1612716723147474
Energy: 1.0681384030159804
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Energy: 1.2131992215173422
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Energy: 0.7298181184301968
Energy: 0.6661316466616045
Energy: 1.083646968424054
Energy: 1.0749016586932865
Energy: 1.0145820633266203
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Energy: 1.109012648213432
Energy: 1.0926210623896644
Energy: 1.1517362871401566
Energy: 0.9911206686442718
Energy: 1.1191139249077937
Energy: 1.101496284040323
Energy: 1.166027019054481
Energy: 0.9923874267390743
Energy: 0.6535485070532154
Energy: 0.6537835023990634
Energy: 1.1142407339021183
Energy: 1.2052302888065929
Energy: 0.9394754751144945
Energy: 0.6530397739410064
Energy: 0.6537758419130247
Energy: 1.0235946649377925
Energy: 1.2174344951579956
Energy: 1.0220993085034473
Energy: 0.9810687517900122
Energy: 0.6248633631501646
Energy: 1.1745427789186855
Energy: 1.2100689179985047
Energy: 0.9589668721850496
Energy: 0.9596396764278825
Energy: 1.0062035277715657
Energy: 0.9964365608718558
Energy: 0.9717956002485516
Energy: 1.076718064934017
Energy: 0.6712255146867409
Energy: 1.011806838376197
Energy: 0.9759234997849741
Energy: 1.1879693745295765
Energy: 1.0599427582553738
Energy: 0.7797698750455201
Energy: 1.099023700646712
Energy: 1.0135161842625413
Energy: 0.9599578233742343
Energy: 0.598690842807713
Energy: 0.5973478868707034
Energy: 0.9344245288761134
Energy: 1.2279625885554284
Energy: 1.0867084528244444
Energy: 0.7536985320179006
Energy: 0.7531925235000714
Energy: 1.100113481944437
Energy: 1.191486955178846
Energy: 1.0207301086155085
Energy: 0.9886142775973363
Energy: 1.006906192585438
Energy: 0.9572889047632022
Energy: 0.9624984523845838
Energy: 0.9264792131645289
Energy: 0.9279850611782435
Energy: 0.926879277296081
Energy: 1.2005546099221116
Energy: 1.203715568115196
Energy: 0.9642709730585864
Energy: 0.8708651330098466
Energy: 0.9833687277728761
Energy: 1.133958044849335
Energy: 0.8959145993288911
Energy: 0.8991375135464388
Energy: 0.5425212028389237
Energy: 0.9216048199686837
Energy: 0.9323566021931559
Energy: 1.2487711844475142
Energy: 0.8609555545459899

minimum gb energy = 0.5419216608738052 eV
minimum distance =  2.3265361929439 Angstroms
sigma value = 33


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

Energy: 1.28412912556786
Energy: 1.134410668032966
Energy: 1.1867806080451926
Energy: 1.124871859734557
Energy: 1.1338255281077299
Energy: 1.135116356326982
Energy: 1.1354442823436874
Energy: 1.1837142616074077
Energy: 1.2173259834733596
Energy: 1.1307352836763018
Energy: 1.160515749982254
Energy: 1.1325499675618895
Energy: 1.1247253657279532
Energy: 1.1248293738456148
Energy: 1.1424069247643467
Energy: 1.1792565591990127
Energy: 1.129118178696424
Energy: 1.1238699990115593
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Energy: 1.1318923490689186
Energy: 1.1470060464464622
Energy: 1.1365284794841606
Energy: 1.1248630147117218
Energy: 1.1271524810124471
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Energy: 1.1674045455486595
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Energy: 1.30567503380531
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Energy: 1.2291743660041408
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Energy: 1.2122237533587676
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Energy: 1.1325183724351513
Energy: 1.1799861077814568
Energy: 1.1333732436036064
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Energy: 1.1332509699841455
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Energy: 1.1671709018660945
Energy: 1.1357979552163113
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Energy: 1.1330457784137589
Energy: 1.1616167359350518
Energy: 1.131869724411659
Energy: 1.1340541182444006
Energy: 1.133234116286451
Energy: 1.205471755374246
Energy: 1.132772294133209
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Energy: 1.1383859457428502
Energy: 1.158473953216135
Energy: 1.1306046100629321
Energy: 1.1330070237116605
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Energy: 1.1328341824655763
Energy: 1.244505032590276
Energy: 1.186632321121276
Energy: 1.163866024396627
Energy: 1.1364836426213156
Energy: 1.1367221012996427
Energy: 1.244376075720639
Energy: 1.1879201015054923
Energy: 1.163484705726189
Energy: 1.1362900372233695
Energy: 1.1374012679083711
Energy: 1.1642549096438375
Energy: 1.1310367945242124
Energy: 1.2577487158405556
Energy: 1.1635023652089602
Energy: 1.135822294140186
Energy: 1.1641699846289613
Energy: 1.1311080784899652
Energy: 1.2741392227661694
Energy: 1.1493075036291258
Energy: 1.1355957337766378
Energy: 1.2653986963333532
Energy: 1.3282431664238459
Energy: 1.137324041320519
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Energy: 1.1361928875009781
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Energy: 1.1462847042572806
Energy: 1.1726480449268832
Energy: 1.2401954839100082
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Energy: 1.1355780415077787
Energy: 1.1464157473042669
Energy: 1.229147886935156
Energy: 1.2923539158782185
Energy: 1.1473758775667673
Energy: 1.1345502861308434
Energy: 1.2445139387780064
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Energy: 1.145248686561928
Energy: 1.1366353629080836
Energy: 1.2252207152063013
Energy: 1.1314782407134922
Energy: 1.1420902250128266
Energy: 1.1793445885157823
Energy: 1.133363018244901
Energy: 1.1764580704971306
Energy: 1.1717291327711035
Energy: 1.1329707082199145
Energy: 1.1792896245073934
Energy: 1.1332124672111834
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Energy: 1.1816867145676448
Energy: 1.1332759346065395
Energy: 1.1359586305561526
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Energy: 1.1350353589278326
Energy: 1.1348442390689764
Energy: 1.139025925025465
Energy: 1.1833997239368412
Energy: 1.1472851740690675

minimum gb energy = 1.1206685541731518 eV
minimum distance =  2.25539230333843 Angstroms
sigma value = 219


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

Energy: 2.0625650982259645
Energy: 1.4016737226585394
Energy: 1.4748810210676742
Energy: 1.4220181065636852
Energy: 1.404053795822235
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Energy: 1.4680611568656057
Energy: 1.431185803741672
Energy: 1.5935345261286573
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Energy: 1.4324564245169287
Energy: 1.4306470825235669
Energy: 1.4325443654873342
Energy: 1.594002836052953
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Energy: 1.432799960868708
Energy: 1.4303614831039615
Energy: 1.4480305137210354
Energy: 1.473840822263689
Energy: 1.4209568731595132
Energy: 1.4302647346729225
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Energy: 1.4476909298833562
Energy: 1.4771036026919462
Energy: 1.4205948839373264
Energy: 1.4322468835416609
Energy: 1.4039212484732977
Energy: 1.4316950344925092
Energy: 1.4550903216066728
Energy: 1.4567527638339706
Energy: 1.4196185564982085
Energy: 1.4044014714888118
Energy: 1.4334421385940903
Energy: 1.455628114180618
Energy: 1.471491147062196
Energy: 1.4194517415246382

minimum gb energy = 1.3763230341576653 eV
minimum distance =  2.27179541825224 Angstroms
sigma value = 15


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

Energy: 2.428532092447001
Energy: 1.5877756654269954
Energy: 1.6393600434449735
Energy: 1.5857911234620143
Energy: 1.5811611753731543
Energy: 1.7803727015076312
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Energy: 1.5938161897152079
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Energy: 1.6366600446641704
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Energy: 1.7897761020031868
Energy: 1.679814280498976
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Energy: 1.637265061987024
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Energy: 1.6539340042711814
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Energy: 1.5863421471299939
Energy: 1.5798046965949095
Energy: 1.6725342851425715
Energy: 1.8142680091970294
Energy: 1.6670162349190518
Energy: 1.5856802051039434
Energy: 1.5892791217747486
Energy: 1.591787772966788
Energy: 1.6390964421139917
Energy: 1.639518757795431
Energy: 1.560029577719309
Energy: 1.598059103393655
Energy: 1.62891877712047
Energy: 1.5765178569491183
Energy: 1.589355102412222
Energy: 1.5560985354025414
Energy: 1.597693820076047
Energy: 1.651670990573617
Energy: 1.7260545518267503
Energy: 1.6350929464933568
Energy: 1.5524135283175455
Energy: 1.5505139257252047
Energy: 1.6263878873322668
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minimum gb energy = 1.5219860209341824 eV
minimum distance =  2.21718710551453 Angstroms
sigma value = 293


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

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Energy: 1.5405371350495316
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Energy: 1.5603905932790982
Energy: 1.5699041727004992
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Energy: 1.6451126101755875
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Energy: 1.5982214373526396
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Energy: 1.5339681218922612
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Energy: 1.9378795604286763
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Energy: 1.5612643275339613
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Energy: 1.5357639526234472
Energy: 1.7690373851032037
Energy: 1.5848840484982947
Energy: 1.560810875945287
Energy: 1.4854115940233996
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Energy: 1.5368490506283219
Energy: 1.4835240652616652
Energy: 1.566806164624668
Energy: 1.6067333235140802
Energy: 1.6102361000077312
Energy: 1.7456851110396823
Energy: 1.9393246606227856
Energy: 1.5388671998201513
Energy: 1.5672311627499735
Energy: 1.5682722534365983
Energy: 1.6338086837063555
Energy: 1.4856356394410426
Energy: 1.5384272114644233
Energy: 1.566922422630953
Energy: 1.6090743725071568
Energy: 1.633646976026137
Energy: 1.4842588916460433
Energy: 1.5423694326154256
Energy: 1.5329187551945778
Energy: 1.559722933929036
Energy: 1.662309585880993
Energy: 1.560215232913234
Energy: 1.5355296449968034
Energy: 1.5350286221631482
Energy: 1.5599324814012292
Energy: 1.6044630549461028
Energy: 1.6472802855342996
Energy: 1.6031404027418632
Energy: 1.6225693717262464
Energy: 1.5984925331729314
Energy: 1.9121771468335615
Energy: 1.543602652902711
Energy: 1.566445563215499
Energy: 1.6244941071813768
Energy: 1.597533787298832
Energy: 1.9119044940197178
Energy: 1.5443786700469393
Energy: 1.600481701768942
Energy: 1.5823832222126528
Energy: 1.6004810459245227
Energy: 1.6153960445900826
Energy: 1.6936878055775906
Energy: 1.5893662411663505
Energy: 1.5788238417791765
Energy: 1.5370764023176953
Energy: 1.6079013677966212
Energy: 1.6639523719881555
Energy: 1.5754127532304747
Energy: 1.6633246434314497
Energy: 1.5349799655248473
Energy: 1.6045444780420792
Energy: 1.7116335271921446
Energy: 1.57648214677155
Energy: 1.6643542303487244
Energy: 1.5347863663417431
Energy: 1.6381605202835212
Energy: 1.7105861422039752
Energy: 1.771012986830545
Energy: 1.6019815685594125
Energy: 1.7741439855521866
Energy: 1.5353868339737795
Energy: 1.5596784489768931
Energy: 1.935402147710188
Energy: 1.6019136544163715
Energy: 1.7720361984682453
Energy: 1.5372350759443554
Energy: 1.4850904423308169

minimum gb energy = 1.4818363250097775 eV
minimum distance =  2.2200065759376 Angstroms
sigma value = 293


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

Energy: 1.4430423937944727
Energy: 1.5546790783946838
Energy: 1.5995002298989993
Energy: 1.612575932755235
Energy: 1.5349738650324565
Energy: 1.4441135322062157
Energy: 1.5823634700883205
Energy: 1.5988442208936056
Energy: 1.6129415902715518
Energy: 1.5352533003501647
Energy: 1.4622416294348926
Energy: 1.5309779434109783
Energy: 1.5314717781509517
Energy: 1.6147544410297467
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Energy: 1.6401799946119298
Energy: 1.5303143611750185
Energy: 1.5361047492045201
Energy: 1.6678334283907421
Energy: 1.615251570390286
Energy: 1.6158749756024682
Energy: 1.6110629782869819
Energy: 1.5287625259659798
Energy: 1.6014924344988595
Energy: 1.5515138197302973
Energy: 1.616572182604308
Energy: 1.5312350349946942
Energy: 1.5315894663942844
Energy: 1.6005212849731658
Energy: 1.641618989825037
Energy: 1.6022264254648084
Energy: 1.4447717023991238
Energy: 1.4448115095719463
Energy: 1.6150539904267012
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Energy: 1.5196585070004218
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Energy: 1.6158022342278446
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Energy: 1.529234677425035
Energy: 1.596565612763503
Energy: 1.5301553281571556
Energy: 1.4545781096814767
Energy: 1.6147655632315197
Energy: 1.5320213910705098
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Energy: 1.5307375936669505
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Energy: 1.6145304716003863
Energy: 1.5314051867190277
Energy: 1.548784162029506
Energy: 1.6152379730768953
Energy: 1.5500418825171751
Energy: 1.530523545879664
Energy: 1.443685909502923
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Energy: 1.6155025106479317
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Energy: 1.4434599256208203
Energy: 1.535005346535524
Energy: 1.4686994067422128
Energy: 1.5968208617488104
Energy: 1.6143171123981623
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Energy: 1.64111370565324
Energy: 1.4682189154181275
Energy: 1.6151526273629127
Energy: 1.6139473662411226
Energy: 1.4445279770809607
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Energy: 1.4685055085315573
Energy: 1.698708992741622
Energy: 1.6153311890354263
Energy: 1.666533557080047
Energy: 1.529082882953215
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Energy: 1.4447735239083066
Energy: 1.616032379449954
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Energy: 1.5831907016566698
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Energy: 1.5987040375246973
Energy: 1.6127016653057284
Energy: 1.5348816239321386
Energy: 1.4445283237798958
Energy: 1.582306960975737
Energy: 1.5994651684488717
Energy: 1.6675067851148946
Energy: 1.535209098770454
Energy: 1.639084700862471
Energy: 1.5309221932829329
Energy: 1.5311709257580992
Energy: 1.6150149137395635
Energy: 1.6148887689005327
Energy: 1.6399067775538512
Energy: 1.530255146306499
Energy: 1.536249549661711
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Energy: 1.551215845109534
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Energy: 1.5994469060003678
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Energy: 1.6440754133982614
Energy: 1.444402860112841
Energy: 1.444753585485956
Energy: 1.6148300173387298
Energy: 1.6035599840362256
Energy: 1.6002320578722378
Energy: 1.4443348600684416
Energy: 1.4448393880778858
Energy: 1.616252236980064
Energy: 1.642528126167025
Energy: 1.6682374943371288
Energy: 1.5366694265607408
Energy: 1.4441632485342484
Energy: 1.470006062486431
Energy: 1.5313792245407318
Energy: 1.669355569877709
Energy: 1.444986274547753
Energy: 1.4445922537096552
Energy: 1.470518354367302
Energy: 1.5317874972544054
Energy: 1.5308707306951372
Energy: 1.6433053310512824
Energy: 1.582798163101511
Energy: 1.5302765957823408
Energy: 1.5969189097053011
Energy: 1.612088159518212
Energy: 1.598530298050229
Energy: 1.58228385739341
Energy: 1.5291533290782353
Energy: 1.5961959494624967
Energy: 1.615674899045118
Energy: 1.5212346696957635
Energy: 1.6148887095182318
Energy: 1.5321416092169033
Energy: 1.4689471989565361
Energy: 1.5301200484791524
Energy: 1.4536715970329424
Energy: 1.6147338722037097
Energy: 1.531678811694326
Energy: 1.4691491244120463
Energy: 1.6152706033914337
Energy: 1.5505700061457495
Energy: 1.5306581079195876
Energy: 1.4438345404360278
Energy: 1.5375097637403532
Energy: 1.6155380010742435
Energy: 1.6973672586597963
Energy: 1.5307599899816986
Energy: 1.4434867088268464
Energy: 1.5349104264797846
Energy: 1.468917924548861
Energy: 1.5965904028636106
Energy: 1.6145834897266342
Energy: 1.4447013560647823
Energy: 1.6434570827258386
Energy: 1.468324793832403
Energy: 1.6149218688032765
Energy: 1.6143038546022468
Energy: 1.4443361971879007
Energy: 1.5321702935619148
Energy: 1.5301062186680292
Energy: 1.4682566837914817
Energy: 1.6988620200856805
Energy: 1.6157587756664038
Energy: 1.666252181538699
Energy: 1.529446804088688
Energy: 1.4681417806853991
Energy: 1.6949011778353529
Energy: 1.6154444122470308
Energy: 1.6119304336348863
Energy: 1.4446573224073
Energy: 1.6152394174553888
Energy: 1.6168988180101636
Energy: 1.5310933911875668
Energy: 1.5831893464030857
Energy: 1.4445497023852558
Energy: 1.614765848237835
Energy: 1.5191085170677183
Energy: 1.5314028038569913
Energy: 1.5833986215698963

minimum gb energy = 1.4430423937944727 eV
minimum distance =  2.24491868800762 Angstroms
sigma value = 15


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

Energy: 2.508253559448
Energy: 1.575378526913178
Energy: 1.7179445910430449
Energy: 1.6519876690595179
Energy: 1.5240437481844251
Energy: 1.4930992986430578
Energy: 1.5689423432080332
Energy: 1.7168169244610474
Energy: 1.650811709968354
Energy: 1.5292636777755964
Energy: 1.479954055762054
Energy: 1.635504032787753
Energy: 1.512191468951872
Energy: 1.5238091789837203
Energy: 1.6814404665665126
Energy: 1.5109988439593964
Energy: 1.6884962323611514
Energy: 1.5107102408248738
Energy: 1.664044015002421
Energy: 1.6906954817010578
Energy: 1.672740456300004
Energy: 1.6088233362171096
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Energy: 1.5703487942991192
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Energy: 1.4943060565334065
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Energy: 1.5058390871705187
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Energy: 1.7965002774384067
Energy: 1.5059958433154912
Energy: 1.484331466323899
Energy: 1.6840296462413227
Energy: 1.670780202148554
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Energy: 1.6815641164631556
Energy: 1.7475855561298541
Energy: 1.5696107424834578
Energy: 1.522357612549071
Energy: 1.5225477512348702
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Energy: 1.6323731066463159
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Energy: 1.5586077952374395
Energy: 1.6793893725814375
Energy: 1.5413376243545365
Energy: 1.640156519581941
Energy: 1.7219184619688572
Energy: 1.666054464516454
Energy: 1.661818721569785
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Energy: 1.6360447950121455
Energy: 1.6654073453688436
Energy: 1.6608416674624016
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Energy: 1.579510293771353
Energy: 1.6296544753660926
Energy: 1.6894898754124448
Energy: 1.9336071360858245
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Energy: 1.670818154892485
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Energy: 1.6868707793394002
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Energy: 1.6010558690984633
Energy: 1.6704008386036449
Energy: 1.6361823521384582
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Energy: 1.5074099027277221
Energy: 1.500581560549763
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Energy: 1.4924741728376274
Energy: 1.504921856196682
Energy: 1.5059217176987028
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Energy: 1.5675551391645117
Energy: 1.491392084940365
Energy: 1.4913810577219002
Energy: 1.7827348860123935
Energy: 1.6640617097050086
Energy: 1.6488107671200531
Energy: 1.49050137204185
Energy: 1.4909551127650604
Energy: 1.638426543560316
Energy: 1.7001187732340763
Energy: 1.5067175334970737
Energy: 1.510432987581484
Energy: 1.5239052210560389
Energy: 1.6381434439522373
Energy: 1.718095931696341
Energy: 1.5066774529416231
Energy: 1.841894950879384
Energy: 1.641290197713478
Energy: 1.490589492420228
Energy: 1.5053379024144027
Energy: 1.5002242624543134
Energy: 1.8008568945551235
Energy: 1.5099287014960137
Energy: 1.4896974888391035
Energy: 1.5054710702723952
Energy: 1.6498386360174677
Energy: 1.801345373562481
Energy: 1.5097385155409606
Energy: 1.5440415161306695
Energy: 1.499218621697898
Energy: 1.5078242216529574
Energy: 1.7071397731336384
Energy: 1.4980641151420542
Energy: 1.5059240206717341
Energy: 1.498259725670484
Energy: 1.4978299397653105
Energy: 1.7086197325101007
Energy: 1.5053206996969675
Energy: 1.5078858913609487
Energy: 1.6666252787849904
Energy: 1.6558681042459282
Energy: 1.6637371909369276
Energy: 1.7192449474902751
Energy: 1.5051515522368348
Energy: 1.6669364553172663
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Energy: 1.7190134203817509
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Energy: 1.5053467973365
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Energy: 1.4952145776955656
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Energy: 1.7130935064388964
Energy: 1.5048751590294318
Energy: 1.638640376908699
Energy: 1.4921611497309866
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Energy: 1.6775557666906094
Energy: 1.6351644267304566
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Energy: 1.6882002722856706
Energy: 1.5151035991274204
Energy: 1.678019371833794
Energy: 1.723897594473003
Energy: 1.6642194755478719
Energy: 1.571395465512278
Energy: 1.678453465453828
Energy: 1.561712330242528
Energy: 1.6965627916917494
Energy: 1.6635133340175667
Energy: 1.5699002839603016
Energy: 1.706433817884297
Energy: 1.558921424799027
Energy: 1.6971277159693547
Energy: 1.6647938681623902
Energy: 1.6340026330447508
Energy: 1.924173211757193
Energy: 1.6836839971048827
Energy: 1.6559009714616368
Energy: 1.6647743995958553
Energy: 1.6967196759347638
Energy: 1.6236125204865948
Energy: 1.6833136998141627
Energy: 1.6739901158246795
Energy: 1.7091788341798722
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Energy: 1.7650497048732472
Energy: 1.4991171738717464
Energy: 1.7626995297374668
Energy: 1.6819709762089916
Energy: 1.6630154323675055
Energy: 1.8183974956755642
Energy: 1.4987917113969402
Energy: 1.7605666146208527
Energy: 1.8019808771606152
Energy: 1.4844878452730086
Energy: 1.5092363357438443
Energy: 1.689417221005571
Energy: 1.8459303248861803
Energy: 1.665958164794341
Energy: 1.4840773651395618
Energy: 1.5082718630654988
Energy: 1.6859708893154446
Energy: 1.845653513120099
Energy: 1.499889070718755
Energy: 1.4930100043341115
Energy: 1.5045164444168375
Energy: 1.5077224297538956
Energy: 1.8483088686797735
Energy: 1.499915984986283
Energy: 1.4858489387770344
Energy: 1.504441535613708
Energy: 1.5243731202712252
Energy: 1.8024060938304216
Energy: 1.5061972369377403
Energy: 1.498308441184545
Energy: 1.4978981238480507
Energy: 1.6533422455514386
Energy: 1.5747926315542822
Energy: 1.5082133059912137
Energy: 1.4981335501795454
Energy: 1.5084289110811042
Energy: 1.6727525811988773
Energy: 1.5689957182869423
Energy: 1.5900118366702158
Energy: 1.5228159580533587
Energy: 1.5676197692256888
Energy: 1.663053821574171
Energy: 1.6236246812337998
Energy: 1.51070254685547
Energy: 1.522433911771125
Energy: 1.5666754907939284
Energy: 1.691710273856558
Energy: 1.5896794924012336
Energy: 1.5235459545590997
Energy: 1.852129493703233
Energy: 1.534958517422772
Energy: 1.4971105189928577
Energy: 1.5081072125805939
Energy: 1.523702579593831
Energy: 1.8524033385701038
Energy: 1.5019568819814633
Energy: 1.4969797037999484
Energy: 1.5081665267073863
Energy: 1.8042567222213468
Energy: 1.5057672480951563
Energy: 1.5053640534850812
Energy: 1.4989284990641008
Energy: 1.505790307377195
Energy: 1.8607725408796258
Energy: 1.5247072359239056
Energy: 1.5039347283103202
Energy: 1.4839027054998866
Energy: 1.50594197359442
Energy: 1.6709266674570393
Energy: 1.8017407435620896
Energy: 1.4990651992931605
Energy: 1.4838424712726677
Energy: 1.6658623439507592
Energy: 1.6712999231692818
Energy: 1.80071450409212
Energy: 1.4961244107744964
Energy: 1.4834223198976526
Energy: 1.6654917108749145
Energy: 1.805416118853932
Energy: 1.4979291289650574
Energy: 1.5092358732403806
Energy: 1.526132420033405
Energy: 1.6812925569393349
Energy: 1.8054866715903073
Energy: 1.4981950364572179
Energy: 1.510027723964888
Energy: 1.5282811575901598
Energy: 1.680299527118103
Energy: 1.4966426566942308
Energy: 1.6823758327954679
Energy: 1.7082053219785138
Energy: 1.523722792557365
Energy: 1.7396576481579111
Energy: 1.4972967319231476
Energy: 1.6898579023663982
Energy: 1.6668978736336797
Energy: 1.5249390787938781
Energy: 1.6679057047492014
Energy: 1.6967916459981196
Energy: 1.5578810584161167
Energy: 1.7067525492171596
Energy: 1.542095302410799
Energy: 1.688116151003357
Energy: 1.6981285115478937
Energy: 1.567684178695572
Energy: 1.7068692449379945
Energy: 1.541163190387591
Energy: 1.6879452885482389
Energy: 1.7891288641500347
Energy: 1.668942182864339
Energy: 1.661468735011557
Energy: 1.6186794081558347
Energy: 1.5800959517710589
Energy: 1.6348546989172317
Energy: 1.667619804064126
Energy: 1.6644824046138516
Energy: 1.6180437060169954
Energy: 1.5796426832995578
Energy: 1.635541815560118
Energy: 1.649214853304415
Energy: 1.5678311084022605
Energy: 1.600512517655306
Energy: 1.6695905727081635
Energy: 1.6375598375417235
Energy: 1.73389887791049
Energy: 1.6216677499204708
Energy: 1.599659922011722
Energy: 2.174987685356906
Energy: 1.7193838697260446
Energy: 1.8079126966361851
Energy: 1.804779550782077
Energy: 1.789768991146658
Energy: 1.5060076258490298
Energy: 1.7195427512197572
Energy: 1.8067069570349683
Energy: 1.8033629893207053
Energy: 1.8535857580984105
Energy: 1.5088565768215276
Energy: 1.5524791557768542
Energy: 1.7081458394661984
Energy: 1.5083545418473499
Energy: 1.4980115190477654
Energy: 1.506078611176872
Energy: 1.5206108764506372
Energy: 1.7075276667103811
Energy: 1.50686355688075
Energy: 1.4898994155239709
Energy: 1.508464537866314
Energy: 1.5961950467754087
Energy: 1.654440958494967
Energy: 1.5677294508547683
Energy: 1.4910518389625669
Energy: 1.4907513469815545
Energy: 1.5898203546368235
Energy: 1.6631452789493593
Energy: 1.5077293944220755
Energy: 1.4902658187582805
Energy: 1.4902121316839363
Energy: 1.5727292272727373
Energy: 1.6719302374941571
Energy: 1.5061760181752961
Energy: 1.5099299256380374
Energy: 1.637262950333659
Energy: 1.635324525265785
Energy: 1.6542049699220656
Energy: 1.504741465857511
Energy: 1.4945440917391706
Energy: 1.637650616074576
Energy: 1.4913043545028495
Energy: 1.5042182009801954
Energy: 1.640823383093082
Energy: 1.806936719230938
Energy: 1.62900039629914
Energy: 1.4909475287508247
Energy: 1.5053793340705426
Energy: 1.6403365513046655
Energy: 1.8010351507360234
Energy: 1.5804231798685597
Energy: 1.5419399009440158
Energy: 1.4966859873642422
Energy: 1.5066971465566268
Energy: 1.497779659611592
Energy: 1.5050215990029603
Energy: 1.504354265110709
Energy: 1.49619351846318
Energy: 1.506819857758102
Energy: 1.6130858298551298
Energy: 1.5066860045329513
Energy: 1.5066948953362287
Energy: 1.5013258872223734
Energy: 1.6582904871765156
Energy: 1.6633179390311956
Energy: 1.657470094700253
Energy: 1.5046125853647352
Energy: 1.4999594204697178
Energy: 1.6767547450564313
Energy: 1.6790380697873128
Energy: 1.506526014645309
Energy: 1.5014295725440365
Energy: 1.636235588081226
Energy: 1.70643088655712
Energy: 1.6862304568266582
Energy: 1.4648061142549396
Energy: 1.4964756518018072
Energy: 1.6359687841821662
Energy: 1.6976053739784775
Energy: 1.5049547087612174
Energy: 1.4647254097767282

minimum gb energy = 1.4647254097767282 eV
minimum distance =  2.22920693210131 Angstroms
sigma value = 437


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

Energy: 1.9971514689519132
Energy: 1.4436550935501151
Energy: 1.6614935921687835
Energy: 1.7008860106946275
Energy: 1.4427147538228844
Energy: 1.9984312006669753
Energy: 1.6733201419425632
Energy: 1.6637887880468458
Energy: 1.791579724723429
Energy: 1.7033389860764645
Energy: 1.46769680054639
Energy: 1.5700559833685512
Energy: 1.6380859394045948
Energy: 1.6305134672129458
Energy: 1.681226426973029
Energy: 1.549020803025787
Energy: 1.5732978283923682
Energy: 1.6398657800599232
Energy: 1.748608566580844
Energy: 1.4282091832894308
Energy: 1.536324607448739
Energy: 1.5736083629702458
Energy: 1.7879985840871324
Energy: 1.437288660464618
Energy: 1.5230830404137683
Energy: 1.5365447967536048
Energy: 1.5768516970206772
Energy: 1.638222298129182
Energy: 1.4410247557690719
Energy: 1.5213509962177776
Energy: 1.4395536456997786
Energy: 1.445024259654766
Energy: 1.7945016951523267
Energy: 1.5372544891200106
Energy: 1.5556285872292188
Energy: 1.434822821934789
Energy: 1.4277605626618248
Energy: 1.7897812583954986
Energy: 1.5362624746458091
Energy: 1.5541119590504864
Energy: 1.4566521803984966
Energy: 1.8103153143263557
Energy: 1.6746855281710629
Energy: 1.4507595214389903
Energy: 1.7020379610975624
Energy: 1.597087536479656
Energy: 1.7464866228131277
Energy: 1.4346834847343855
Energy: 1.4537175151774433
Energy: 1.706040218982913
Energy: 1.4617265164578106
Energy: 1.4384058534862911
Energy: 1.3911642464715825
Energy: 1.4574134398653737
Energy: 2.0089416306427115
Energy: 1.4632726586613725
Energy: 1.4270518040596842
Energy: 1.3915735777469886
Energy: 1.5646249574822355
Energy: 2.0009879032015925
Energy: 1.5345668108512232
Energy: 1.5130671182237754
Energy: 1.5125366735122323
Energy: 1.4284851006755497
Energy: 1.6740036468603021
Energy: 1.5394438289112362
Energy: 1.513312144564118
Energy: 1.5139346034020291
Energy: 1.4287452639960807
Energy: 1.6259541820177026
Energy: 1.5705235272971925
Energy: 1.536571837653491
Energy: 1.428265969884565
Energy: 1.760358235323864
Energy: 1.7475926775876587
Energy: 1.5762153051765537
Energy: 1.576958879019593
Energy: 1.4272637748492847
Energy: 1.7671678072373604
Energy: 1.7415485636483645
Energy: 1.441672754785724
Energy: 1.8024068398355475
Energy: 1.4501181983956937
Energy: 1.8306976612189771
Energy: 1.439991716461292
Energy: 1.4430540506193759
Energy: 1.802201905741659
Energy: 1.6092021446860625
Energy: 1.8299624070997331
Energy: 1.429113343142931
Energy: 1.6801314994086045
Energy: 1.4336841193355723
Energy: 1.412997869285129
Energy: 1.3914289249368637
Energy: 1.8020816696276951
Energy: 1.5637561090018344
Energy: 1.438586592819518
Energy: 1.4124878032944943
Energy: 1.87391091419341
Energy: 1.7980327037451334
Energy: 1.392307655539161
Energy: 1.4168335075372007
Energy: 1.6085369550861908
Energy: 1.943030977785501
Energy: 1.3896820280085038
Energy: 1.3910169106581765
Energy: 1.4175101265346834
Energy: 1.6084700832015248
Energy: 1.8647435570852273
Energy: 1.4271306640669539
Energy: 1.4168497866029348
Energy: 1.4145852858704637
Energy: 1.3924835557244024
Energy: 1.476623129646458
Energy: 1.419161438679269
Energy: 1.4176089778280239
Energy: 1.4179049473183978
Energy: 1.4145456532701168
Energy: 1.4785314132045175
Energy: 1.392525143373459
Energy: 1.4146839007182834
Energy: 1.5328609532474418
Energy: 1.7561722739738705
Energy: 1.7492924727309085
Energy: 1.4258804411347694
Energy: 1.391660393044622
Energy: 1.5334116918613678
Energy: 1.7582960497857074
Energy: 1.7484415225997794
Energy: 1.4176465162572223
Energy: 1.6599330747905834
Energy: 1.4479418263444392
Energy: 1.9304993022729189
Energy: 1.4137016232182493
Energy: 1.422093680184567
Energy: 1.6669277720583733
Energy: 1.416185988520579
Energy: 1.8524486664327682
Energy: 1.4133114927056347
Energy: 1.4291024840840574

minimum gb energy = 1.3896820280085038 eV
minimum distance =  2.25668873563073 Angstroms
sigma value = 33