Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8664998710155487
cohesive_energy=4.316339468704817
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.59080993222044e-21, 2.27047655157408e-20, 4.0982236338749396e-20, 7.01237464815852e-20, 1.0598382412143659e-19, 1.390835116385694e-19, 4.1835235178690993e-19, 4.5545876263035e-19, 4.91534973898128e-19, 5.24107224867348e-19, 5.5240647075369e-19, 5.7694861243330195e-19, 5.985731904624e-19, 6.17512520452914e-19, 6.338659373561519e-19, 6.4777283053927195e-19, 6.59404632902112e-19, 6.689279708146079e-19, 6.76504664116794e-19, 6.82338189241188e-19, 6.866095921474319e-19, 6.894630687325859e-19, 6.91028395304004e-19, 6.914994352343999e-19, 6.91033201833906e-19, 6.89580027626868e-19, 6.870533950750499e-19, 6.8336037793368e-19, 6.78428878254228e-19, 6.725296638878401e-19, 6.66327638137626e-19, 6.606991916223839e-19, 6.56855569877418e-19, 6.55573828570218e-19, 6.512239190089079e-19, 6.36475883092938e-19, 6.030945329235479e-19, 5.40684946499346e-19, 4.36094855831826e-19, 2.72972446194384e-19, 3.15873929923002e-20, -3.1254460687755e-19, -7.893155230933679e-19, -1.4164955773558379e-18, -2.1404599177249798e-18, -2.9125808811822595e-18, -3.76485874163856e-18, -4.924113645169259e-18, -6.6881261409696e-18, -9.0583862533092e-18, -1.202949464693148e-17, -1.66571895930444e-17, -2.48302130384052e-17, -4.1945144495783395e-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: 0.014976295324284577
Energy: 0.017765395081205712
Energy: 0.11264249313368299
Energy: 0.11352086319308911
Energy: 0.14688523255275995
Energy: 0.11038361127509612
Energy: 0.14292667974868614
Energy: 0.11396359812129546
Energy: 0.11200598760000666
Energy: 0.017120659663875555
Energy: 0.015573989047551919
Energy: 0.11110368233192576
Energy: 0.16902113979165784
Energy: 0.01592157362493386
Energy: 0.016028873363027937
Energy: 0.11505710941252091
Energy: 0.1123266348971709
Energy: 0.14885276426100508
Energy: 0.11255476222132317
Energy: 0.14232545149882245
Energy: 0.11196429310868697
Energy: 0.11433813184183615
Energy: 0.14291595873887164
Energy: 0.017963198740902922
Energy: 0.11336401909094374
Energy: 0.11108814476826397
Energy: 0.016827028345590515
Energy: 0.015489954234074399
Energy: 0.11443172884240288
Energy: 0.1109985584534297
Energy: 0.01634346610630124
Energy: 0.1461155715665013
Energy: 0.1132267630619872
Energy: 0.1102868872288255
Energy: 0.11435605919288387
Energy: 0.11034756817098253
Energy: 0.0157598042837949
Energy: 0.016093572483404362
Energy: 0.11065081293911459
Energy: 0.015485531100646713
Energy: 0.01703874531190645
Energy: 0.11340606951799002
Energy: 0.11141269978471227
Energy: 0.016152044019726364
Energy: 0.015230320784926036
Energy: 0.1129787060102767
Energy: 0.11106741364759605
Energy: 0.11067560351038525
Energy: 0.11219883747186804
Energy: 0.015109075217516024
Energy: 0.11173320398835186
Energy: 0.11232286693758567
Energy: 0.1480461900954131
Energy: 0.015889155777497416
Energy: 0.015424057525672772
Energy: 0.1105314218273936
Energy: 0.015859512880134707
Energy: 0.016367231250149376
Energy: 0.14106243632967386
Energy: 0.11450577215064986
Energy: 0.01580203887088652
Energy: 0.14278125122930907
Energy: 0.11160909805959433
Energy: 0.10943025704887704
Energy: 0.11079407011251115
Energy: 0.11019346781778411
Energy: 0.015485346022553133
Energy: 0.01658474842715368
Energy: 0.10981639874579785
Energy: 0.11414205337566248

minimum gb energy = 0.014976295324284577 eV
minimum distance =  2.47712864419214 Angstroms
sigma value = 3


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

Energy: 2.2913414361165167
Energy: 1.540757119480327
Energy: 1.4409863067676532
Energy: 1.4147681843807538
Energy: 1.513578201661002
Energy: 1.5521372869926588
Energy: 1.5481456900029653
Energy: 1.449416676209651
Energy: 1.4414676901931662
Energy: 1.717895871893276
Energy: 1.563755536405087
Energy: 1.4448704288134384
Energy: 1.613007418800719
Energy: 1.906705377400507
Energy: 1.5108378638929711
Energy: 1.4642323851895955
Energy: 1.5427345919662583
Energy: 1.5505484276721488
Energy: 1.460060101572436
Energy: 1.5459034011311492
Energy: 1.5451195264532143
Energy: 1.3941505876554
Energy: 1.4949352059051275
Energy: 1.5851786861267219
Energy: 1.426670159216429
Energy: 1.6296391891995265
Energy: 1.854638253147523
Energy: 1.5013830291447359
Energy: 1.5897087754136443
Energy: 1.6181451703342573
Energy: 1.8398731954229395
Energy: 1.5340145128136897
Energy: 1.6369938137079394
Energy: 1.7784019589361288
Energy: 1.4184729076489364
Energy: 1.5392778667993814
Energy: 1.5330400124962678
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Energy: 1.6099180065761476
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Energy: 1.8273500072698037
Energy: 1.8072620973977642
Energy: 1.7426859325968733
Energy: 1.8021882954236115
Energy: 1.4849779413835318
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Energy: 1.4741144215424016
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Energy: 1.4955941111112037
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Energy: 1.577793890165049
Energy: 1.3812050209078788
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Energy: 1.5293598947453602
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Energy: 1.5381835548672864
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Energy: 1.472586308457505
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Energy: 1.5107913714883527
Energy: 1.4682581201225449
Energy: 1.4802407431881757
Energy: 1.7336543944861815
Energy: 1.5079950105677007
Energy: 1.5384115440030515
Energy: 1.4962987677854374
Energy: 1.506298532115553
Energy: 1.505311274843515
Energy: 1.5673062700241789
Energy: 1.4527677807460633
Energy: 1.4534880693339405
Energy: 1.4995833326775998
Energy: 1.5280587545754236
Energy: 1.4999144242874738
Energy: 1.5113878999864396
Energy: 1.5789454411544817
Energy: 1.478342123015475
Energy: 1.4847112033619556
Energy: 1.6933446019519134
Energy: 1.593875419983376
Energy: 1.6032563884508364
Energy: 1.8913554131492987
Energy: 1.6897642491169602
Energy: 1.7617796489358872
Energy: 1.8696804756738827
Energy: 1.5097773543423647
Energy: 1.5943008875623754
Energy: 1.6683860731499893
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Energy: 1.5767328697501999
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Energy: 1.5406217816829377
Energy: 1.5618743520039815
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Energy: 1.8120382372927435
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Energy: 1.573517017270183
Energy: 1.4193655134012468
Energy: 1.4967578448915677
Energy: 1.4665747863551133
Energy: 1.3535907919132255
Energy: 1.4921134294336549
Energy: 1.5405897224350051
Energy: 1.8220979975817104
Energy: 1.829476320645129
Energy: 1.7396894952257351
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Energy: 1.6249518582215614
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Energy: 1.4112552295586938
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Energy: 1.5075224518191868
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Energy: 1.750791103101202
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Energy: 1.4067612028463212
Energy: 1.6638121932437397
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Energy: 1.4852821024627627
Energy: 1.478664589709257
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Energy: 1.3781797459821792
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Energy: 1.5387422449518804
Energy: 1.3835189625561652
Energy: 1.7053647108234382
Energy: 1.6535823991078253
Energy: 1.3673907090566169
Energy: 1.5668819249531318
Energy: 1.3674902363145134
Energy: 1.4676286813636057
Energy: 1.53450778531701
Energy: 1.481036551738507
Energy: 1.5018311863612375
Energy: 1.467402041181241
Energy: 1.5799630476584459
Energy: 1.5575036554599129
Energy: 1.3637678094445613
Energy: 1.7553447337170165
Energy: 1.5885015453401727
Energy: 1.3605807550848106
Energy: 1.5019273820384138
Energy: 1.3537750121699625
Energy: 1.3919027014039835
Energy: 1.4732415417552112
Energy: 1.361056977018739
Energy: 1.384524803875924
Energy: 1.5298794848853596
Energy: 1.5513270017367
Energy: 1.6718788855440259
Energy: 1.3827168279363942
Energy: 1.374841732750752
Energy: 1.513697816186775
Energy: 1.7190118876838725
Energy: 1.376843962223692
Energy: 1.495869812015773
Energy: 1.4490671046288113
Energy: 1.4416941270047983
Energy: 1.521111061745967
Energy: 1.4127720067633718
Energy: 1.6490413166266262
Energy: 1.406887001049426
Energy: 1.7219037139127578
Energy: 1.7397914126432055
Energy: 1.4773016866077728
Energy: 1.4875803371832956
Energy: 1.590691888717477
Energy: 1.3953575727877328
Energy: 1.5019699919696197
Energy: 1.4143149677848625
Energy: 1.5712126190961042
Energy: 1.5235218442031775
Energy: 1.5126473433626864
Energy: 1.6093332540768963
Energy: 1.678776674470287
Energy: 1.6225337956589585
Energy: 1.734532580871971
Energy: 1.5513212019360114
Energy: 1.5014117767366615
Energy: 1.4539309423727114
Energy: 1.527814386314428
Energy: 1.4980828242665447
Energy: 1.396113536276424
Energy: 1.503633631527521
Energy: 1.514378183061572
Energy: 1.4683546552210371
Energy: 1.5373249455312472
Energy: 1.7339954460585074
Energy: 1.7155194680430672
Energy: 1.5041058973599983
Energy: 1.5269161647145226
Energy: 1.5997815015204357
Energy: 1.4213526620724986
Energy: 1.8793827440824054
Energy: 1.5984012461672066
Energy: 1.4549554056992864
Energy: 1.4918086608254129
Energy: 1.6337317858247233
Energy: 1.5134946515262362
Energy: 1.558662084010138
Energy: 1.6591945132780848
Energy: 1.5947050397063922
Energy: 1.9101450939299283

minimum gb energy = 1.3535907919132255 eV
minimum distance =  2.21946752486748 Angstroms
sigma value = 75


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

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Energy: 1.579506291194007
Energy: 1.64524165786908
Energy: 1.5757974552382215
Energy: 1.5805938970780522
Energy: 1.5911723818822237
Energy: 1.5534554090219728
Energy: 1.5808145267151288
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Energy: 1.7053121968407714
Energy: 1.6171982171187496
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Energy: 1.604522487841266
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Energy: 1.6432864954992306
Energy: 1.5368315511638067
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Energy: 1.5405219491112803
Energy: 1.6451429633138581
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Energy: 1.626563069449988
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Energy: 1.7268744530161595
Energy: 1.655923116095142
Energy: 1.7073529242860803
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Energy: 1.5515310475803463
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Energy: 1.6738139584341665
Energy: 1.5060744022817998
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Energy: 1.891584410561478
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Energy: 1.5805785409937383
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Energy: 1.7159180562637562
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Energy: 1.4976590476256137
Energy: 1.6417311340997505
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Energy: 1.7720078557813992
Energy: 1.840729506815755
Energy: 1.7071052799455397
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minimum gb energy = 1.484668326999349 eV
minimum distance =  2.21496166134851 Angstroms
sigma value = 105


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

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Energy: 1.638801571054511
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Energy: 1.6271435363598634
Energy: 1.6218515412027426
Energy: 1.6023090510501856
Energy: 1.7486157295901654
Energy: 1.5604221478061993
Energy: 1.7511629708559648
Energy: 1.683554124279173
Energy: 1.6348265655708716
Energy: 1.7388164493191063
Energy: 1.6833196882097745
Energy: 1.567747476018793
Energy: 1.5406100281329433
Energy: 1.5668822742022033
Energy: 1.5712086756768464
Energy: 1.6847187022519423
Energy: 1.5298150528788181
Energy: 1.6167223665382142
Energy: 1.7029533057901742
Energy: 1.712939524366554
Energy: 1.5337923388843802
Energy: 1.5459806722443588
Energy: 1.5459125293385731
Energy: 1.5453002682974124
Energy: 1.5833121426366719
Energy: 1.6038744333870845
Energy: 1.6844534105564235
Energy: 1.5106142701775482
Energy: 1.6437114307272667
Energy: 1.5958330940770276
Energy: 1.518753596984593
Energy: 1.6418414257592244
Energy: 1.5968549378477028
Energy: 1.5416244564620136
Energy: 1.5634520902598388
Energy: 1.52663725873344
Energy: 1.634492417351746
Energy: 1.6401717791916546
Energy: 1.664421629087894
Energy: 1.7138674915724874
Energy: 1.5930546170654987
Energy: 1.6060029819436341
Energy: 1.7381598596816583
Energy: 1.5320709592741368
Energy: 1.5735323426287244
Energy: 1.5240384289026674
Energy: 1.590183358933542
Energy: 1.7114897326754583
Energy: 1.6187562963285933
Energy: 1.609949265060929
Energy: 1.7626049615651058
Energy: 1.7596824597044571
Energy: 1.7676592393178006
Energy: 1.6645200885776326
Energy: 1.7533810087112258
Energy: 1.6100220657848112
Energy: 1.7831926989757272
Energy: 1.6075017186033924
Energy: 1.5532982911705602
Energy: 1.587124751900817
Energy: 1.6773823421829186
Energy: 1.604182459698004
Energy: 1.6005176634983946
Energy: 1.7938283244369753
Energy: 1.780116419603306
Energy: 1.6157214017758528

minimum gb energy = 1.5040462391042744 eV
minimum distance =  2.2212078963561 Angstroms
sigma value = 165


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

Energy: 1.7704640881477798
Energy: 1.4559728866866979
Energy: 1.5373175753815556
Energy: 1.5346504042546893
Energy: 1.6121892540823337
Energy: 1.5356702982368886
Energy: 1.6066197083525422
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Energy: 1.6208934998887885
Energy: 1.4614261695375128
Energy: 1.544916574999108
Energy: 1.4685591198095214
Energy: 1.6306677947793866
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Energy: 1.6105741109771106
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Energy: 1.8738869636596294
Energy: 1.8855479660176206
Energy: 1.626471450393433
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Energy: 1.5966785451453467
Energy: 1.8710482104568846
Energy: 1.6991808725477886
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Energy: 1.5017781888233381
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Energy: 1.6323469308203356
Energy: 1.6041199984592893
Energy: 1.5263115249767285
Energy: 1.5185609727870555
Energy: 1.490838374654467
Energy: 1.5962638420959068
Energy: 1.774352168215334
Energy: 1.6109546609264995
Energy: 1.645133868630531
Energy: 1.585846983882276
Energy: 1.560378712563204
Energy: 1.5625420946185002
Energy: 1.505105806634951
Energy: 1.5224176671827738
Energy: 1.5130548730489892
Energy: 1.5351487001924073
Energy: 1.5405897790399006
Energy: 1.557300957428312
Energy: 1.5613305243936555
Energy: 1.5645904125075363
Energy: 1.4936318386088863
Energy: 1.5324895612167337
Energy: 1.4813200724932032
Energy: 1.56852175807933
Energy: 1.579627915544612
Energy: 1.6098471479284975
Energy: 1.5271533468429643
Energy: 1.6148366114777097
Energy: 1.6533612702405975
Energy: 1.901966735062028
Energy: 1.6355415600347796
Energy: 1.5013461340126741
Energy: 1.5243941696120238
Energy: 1.5495345674534962
Energy: 1.527009521819478
Energy: 1.4935138101747791
Energy: 1.570705498977291
Energy: 1.542737339227952
Energy: 1.5793760245920736
Energy: 1.6753829545320675
Energy: 1.7110418802857603
Energy: 1.6203638718727298
Energy: 1.784162359244772

minimum gb energy = 1.4559728866866979 eV
minimum distance =  2.22400673133627 Angstroms
sigma value = 41


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

Energy: 3.1352980184116666
Energy: 1.4484479854708587
Energy: 1.6951164556795844
Energy: 1.5533994799226973
Energy: 1.5138325265646992
Energy: 1.5559101611386892
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Energy: 1.565327172603267
Energy: 1.6951228499376358
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Energy: 1.6540909273291258
Energy: 1.4835456978175279
Energy: 1.6786078434115879
Energy: 1.8809073653714687
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Energy: 1.5598163178034732
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Energy: 1.6056533129299404
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Energy: 1.6051455021380787
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Energy: 1.5687839868544267
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Energy: 1.5072453352220236
Energy: 1.399957019154091
Energy: 1.5392847847553375
Energy: 1.408555034661755
Energy: 1.5496523148349308
Energy: 1.549925124118991
Energy: 1.6845668563035443
Energy: 1.5820611275155694
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Energy: 1.5286598555443867
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Energy: 1.4162730850707195
Energy: 1.5759281363873108
Energy: 1.6689262179999875
Energy: 1.4959790537274351
Energy: 1.562721323170479
Energy: 1.666985280552617
Energy: 1.8751199009615809
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Energy: 1.4585025230350186
Energy: 1.552094704846945
Energy: 1.6689641012838543
Energy: 1.6712608559006534
Energy: 1.6778714014423375
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Energy: 1.5224285165236053
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Energy: 1.6324592704641907
Energy: 1.5643383310606729
Energy: 1.4651611879718565
Energy: 1.4817539316526351
Energy: 1.3923829728489436
Energy: 1.5827409289111836
Energy: 1.53749402898075
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Energy: 1.5714335967095183
Energy: 1.543711041474585
Energy: 1.6848904825217814
Energy: 1.8319659353715187
Energy: 1.5043868008552643
Energy: 1.4438827750931065
Energy: 1.6013448552606886
Energy: 1.6761223519762507
Energy: 1.462205365144441
Energy: 1.635287435544381
Energy: 1.610479624990215
Energy: 1.686944965998621
Energy: 1.5698010019260022
Energy: 1.545367147184832
Energy: 1.8575286975297771
Energy: 1.460405031273738
Energy: 1.8586616998439642
Energy: 1.8445067117741087
Energy: 1.4752653014643944
Energy: 1.5295208017329425
Energy: 1.865932606828534
Energy: 1.6605632173389657
Energy: 1.5829861781673686
Energy: 1.444512814407637
Energy: 1.6118349142802293
Energy: 1.8759052020654317
Energy: 1.6304612215293177
Energy: 1.5210383054282757
Energy: 1.5951738595864022
Energy: 1.5469689697164535
Energy: 1.8139674162615753
Energy: 1.5126516419562095
Energy: 1.4543356920830355
Energy: 1.4190713055810174
Energy: 1.5253209482079477
Energy: 1.5469845399010813
Energy: 1.4812004965753702
Energy: 1.4338911529709735
Energy: 1.526347405714741
Energy: 1.5568480972259158
Energy: 1.598072394115088
Energy: 1.7755309555121324
Energy: 1.7833506481751602
Energy: 1.477369559668937
Energy: 1.5357770415866694
Energy: 1.5070652639072133
Energy: 1.4907389269603883
Energy: 1.4820122919292094
Energy: 1.468103419653078
Energy: 1.5077500880972723
Energy: 1.5805076876370314
Energy: 1.6692584370384087
Energy: 1.6335253585653045
Energy: 1.6253058413630022
Energy: 1.5300068912445768
Energy: 1.4813879198876714
Energy: 1.5544238175050336
Energy: 1.5264222692769083
Energy: 1.512204940871064
Energy: 1.6013776633666972
Energy: 1.4985271784914667
Energy: 1.6683828278178139
Energy: 1.700444609600361
Energy: 1.5598659629741451
Energy: 1.540961586681923
Energy: 1.572779129043454
Energy: 1.4672597383211259
Energy: 1.6247057888780259
Energy: 1.5886991329991
Energy: 1.5630335723069453
Energy: 1.518243711238945
Energy: 1.4856516656359824
Energy: 1.5655334506570877
Energy: 1.6634906320303242
Energy: 1.891063640281111
Energy: 1.7888547281897815

minimum gb energy = 1.3622067831351772 eV
minimum distance =  2.21239931672183 Angstroms
sigma value = 185


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

Energy: 2.8096019756632153
Energy: 1.6443467809130443
Energy: 1.595921738328671
Energy: 1.6163384053593775
Energy: 1.5851247944041496
Energy: 1.7718226289694168
Energy: 1.7226469001657279
Energy: 1.729719904214792
Energy: 1.5822389826630443
Energy: 1.6630588860607842
Energy: 1.6408073848299547
Energy: 1.7240287770177447
Energy: 1.62786938179746
Energy: 1.467019265479919
Energy: 1.4776588523286402
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Energy: 1.609397666527457
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Energy: 1.5643522033837638
Energy: 1.4906584396871225
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Energy: 1.545382304075221
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Energy: 1.62296435562834
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Energy: 1.541629234847097
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Energy: 1.5421677042449033
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Energy: 1.558434345957844
Energy: 1.5765080548647503
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Energy: 1.4777025840066087
Energy: 1.5852347948402696
Energy: 1.5551267670185998
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Energy: 1.529640201440272
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Energy: 1.6471545757402655
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Energy: 1.6275522737782284
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Energy: 1.581230215823047
Energy: 1.548602563401491
Energy: 1.595317801397071
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Energy: 1.545620461455923
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Energy: 1.7093319406804535
Energy: 1.7025459068220148
Energy: 1.552764665286244
Energy: 1.6188879032468255
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Energy: 1.7033185664579271
Energy: 1.7250989518773205
Energy: 1.6150366302669619
Energy: 1.650585226144435
Energy: 1.6045288949309757
Energy: 1.632715489704676
Energy: 1.740155308218742
Energy: 1.6888217460640447
Energy: 1.5474833618321115
Energy: 1.7266778827064035
Energy: 1.6947964606140078
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Energy: 1.605954603308062
Energy: 1.6471283270562544
Energy: 1.7028336028212931
Energy: 1.5195507614254884
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Energy: 1.5200028623366435
Energy: 1.7094334959704904
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Energy: 1.5748652125066525
Energy: 1.7348112983322725
Energy: 1.710070762739954
Energy: 1.7211155991856801
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Energy: 1.492635281250282
Energy: 1.508201806759021
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Energy: 1.5713931200038156
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Energy: 1.508140977570501
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Energy: 1.668859736388829
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Energy: 1.5774755202648854
Energy: 1.5797621167206548
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Energy: 1.6187125187744489
Energy: 1.6749118486821872
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Energy: 1.9636417106833235
Energy: 1.6340260766473784
Energy: 1.6930222230353875
Energy: 1.7047029503978242
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Energy: 1.572660900132793
Energy: 1.6833707092592187
Energy: 1.7049984047174247
Energy: 1.7211440286413662
Energy: 1.6808345240271274
Energy: 1.7433382538506799
Energy: 1.6305487966489463
Energy: 1.6863162007633998
Energy: 1.4516757083385305
Energy: 1.7015118677623118
Energy: 1.7283648376555156
Energy: 1.5284575552749595
Energy: 1.8543037804896536
Energy: 1.7078881755967799
Energy: 1.4859244267284761
Energy: 1.6093544828494444
Energy: 1.6347063702570106
Energy: 1.7061462911474043
Energy: 1.5615605987101764
Energy: 1.7112359997117261
Energy: 1.4468882782402481
Energy: 1.7004897789392268
Energy: 1.7082326083597181
Energy: 1.7315149386548874
Energy: 1.4734852622947983
Energy: 1.47054111608042
Energy: 1.6013993790441694
Energy: 1.5740914035750946
Energy: 1.583843753986996
Energy: 1.5773867424338508
Energy: 1.733524585336629
Energy: 1.5780839379993572
Energy: 1.7658888351902722
Energy: 1.7178296516750424
Energy: 1.6629976617612041
Energy: 1.6306031045182485
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Energy: 1.5878740295291887
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Energy: 1.6834234612622743
Energy: 1.7302654123629846
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Energy: 1.621792366668389
Energy: 1.571911688629258
Energy: 1.5831870226255707
Energy: 1.6974138264408525
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Energy: 1.6197761118805878
Energy: 1.764071537524689
Energy: 1.6823823898703831
Energy: 1.6759204832844798
Energy: 1.7106290418507506
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Energy: 1.744489088707918
Energy: 1.7126905122473888
Energy: 1.7276806628224433
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Energy: 1.5569814415945635
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Energy: 1.5623388529549627
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Energy: 1.6878100982109554
Energy: 1.6938993009265209
Energy: 1.4866998885695415
Energy: 1.591805362595099
Energy: 1.5111959107509172
Energy: 1.5916177822672946
Energy: 1.5717599729261087
Energy: 1.528428048023314
Energy: 1.7502113242868425
Energy: 1.704925307057691
Energy: 1.4809575632054688
Energy: 1.6808952007518834
Energy: 1.642914109435164
Energy: 1.6798760700194475
Energy: 1.6960391552773069
Energy: 1.5705429415253005
Energy: 1.5335550549835386
Energy: 1.4379179199052203
Energy: 1.522697922014245
Energy: 1.4730337884929317
Energy: 1.4309935600990473
Energy: 1.3481801593825269
Energy: 1.6291627615637891
Energy: 1.686837895860334
Energy: 1.6969384768136102
Energy: 1.605078938499645
Energy: 1.5629150882197962
Energy: 1.6905516467010773
Energy: 1.7271640754504796
Energy: 1.5440489823705712
Energy: 1.8545708209194827
Energy: 1.6310764316324946
Energy: 1.6299143633942075
Energy: 1.6426450844659382
Energy: 1.4646642673782109
Energy: 1.7201780376303093
Energy: 1.4554011762302255
Energy: 1.7099255713460728
Energy: 1.7096201737466048
Energy: 1.6857415536095324
Energy: 1.4453607592478366
Energy: 1.6032290009677401
Energy: 1.6355368930864824
Energy: 1.6645264809119507
Energy: 1.5717442320447272
Energy: 1.606491518558998
Energy: 1.4396785596665038
Energy: 1.5253715509125971
Energy: 1.7743693547443922
Energy: 1.4453098510049311
Energy: 1.4437534534957441
Energy: 1.499231439843908
Energy: 1.5635542656979402
Energy: 1.533574204778366
Energy: 1.5833574564728685
Energy: 1.579198577997755
Energy: 1.75124639718796
Energy: 1.6838425576755403
Energy: 1.6983615137591024
Energy: 1.616258260244319
Energy: 1.6290620009575985
Energy: 1.6045997683859572
Energy: 1.526829578034244
Energy: 1.5579774774386106
Energy: 1.5839280784543834
Energy: 1.5895957780797463
Energy: 1.4968719996161037
Energy: 1.584394299684795
Energy: 1.7493194057065145
Energy: 1.78566211249149
Energy: 1.6576127736754571
Energy: 1.7031779082311123
Energy: 1.7369098079411651
Energy: 1.5890193611114065
Energy: 1.5162029209275154
Energy: 1.5994191882400117
Energy: 1.5957262142722703
Energy: 1.4940098837459201
Energy: 1.5966132540868365
Energy: 1.6453826164612873

minimum gb energy = 1.3481801593825269 eV
minimum distance =  2.2196003325948 Angstroms
sigma value = 33


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

Energy: 2.698083326189913
Energy: 1.7209156810300585
Energy: 1.7286571345581263
Energy: 1.5500589818435904
Energy: 1.6185194360268882
Energy: 1.5989699877726964
Energy: 1.5837999552210968
Energy: 1.634389043528359
Energy: 1.5030953102120328
Energy: 1.549055145517941
Energy: 1.5023261884299859
Energy: 1.6338465236769644
Energy: 1.7123707442513516
Energy: 1.5676361985072884
Energy: 1.7122905506145225
Energy: 1.7132646335141368
Energy: 1.64598886072118
Energy: 1.5954591605127948
Energy: 1.5494564046942807
Energy: 1.4837720079689558
Energy: 1.5117073858830008
Energy: 1.6612202623961916
Energy: 1.6468828425801034
Energy: 1.5417876696580477
Energy: 1.6208969635617885
Energy: 1.5354347599098515
Energy: 1.5665250334807173
Energy: 1.5678412475000316
Energy: 1.508581658357717
Energy: 1.4859909095755879
Energy: 1.4780667800984955
Energy: 1.5131136546211905
Energy: 1.6214255876091623
Energy: 1.5688059151844873
Energy: 1.630866018432274
Energy: 1.5530628264395678
Energy: 1.578747278308278
Energy: 1.6402028544312215
Energy: 1.4837323326738991
Energy: 1.5075175492518846
Energy: 1.5521685096667481
Energy: 1.5851637578578837
Energy: 1.6661058561528777
Energy: 1.5554741939313406
Energy: 1.7141156355935052
Energy: 1.5521560937114642
Energy: 1.8771828339788235
Energy: 1.6896734942818552
Energy: 1.5071639476638463
Energy: 1.4797766593645785
Energy: 1.6598978618529532
Energy: 1.6252746142858487
Energy: 1.6172409643199628
Energy: 1.5957693534304267
Energy: 1.823787284591881
Energy: 1.5563091357055452
Energy: 1.7908601018043007
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Energy: 1.5086223649264612
Energy: 1.666811224143269
Energy: 1.7722471975927765
Energy: 1.7355860676956127
Energy: 1.6250144906940778
Energy: 1.5682069812244899
Energy: 1.5733794941628927
Energy: 1.5722355353817352
Energy: 1.7215806122908497
Energy: 1.612538244293793
Energy: 1.544911896828129
Energy: 1.5942189648663636
Energy: 1.6941762694495226
Energy: 1.6556031847534114
Energy: 1.6731781453391563
Energy: 1.5616365552712757
Energy: 1.5301842744208702
Energy: 1.5348902196295913
Energy: 1.5130829410395117
Energy: 1.5299102964836702
Energy: 1.526601895656175
Energy: 1.7176416334620819
Energy: 1.6366151463740233
Energy: 1.7766887330310477
Energy: 1.6267856897440318
Energy: 1.50078151818823
Energy: 1.5587377577187431
Energy: 1.5626752492820515
Energy: 1.485871516178286
Energy: 1.4875379976580039
Energy: 1.5436987373917124
Energy: 1.535053918009525
Energy: 1.5850684480275725
Energy: 1.5913854424333629
Energy: 1.72778576995313
Energy: 1.4431204459849694
Energy: 1.5059098624283807
Energy: 1.6550179541122354
Energy: 1.545658549331795
Energy: 1.5650136989674088
Energy: 1.580347527140212
Energy: 1.5917181835356362
Energy: 1.629119442825002
Energy: 1.6884341668547491
Energy: 1.672431438878214
Energy: 1.627337587129751
Energy: 1.7714516377352307
Energy: 1.6858104355334025
Energy: 1.6392956457821926
Energy: 1.569931602116422
Energy: 1.6325334043351027
Energy: 1.6016348128109528
Energy: 1.6320866420529563
Energy: 1.7608135004405516
Energy: 1.5335633587485065
Energy: 1.5135499904002723
Energy: 1.716838895733455
Energy: 1.7124409817908446
Energy: 1.5770676414189198
Energy: 1.7015618088674378
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Energy: 1.6198577701565608
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Energy: 1.6087106652802556
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Energy: 1.625532639513119
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Energy: 1.5334974252021647
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Energy: 1.5824276052844715
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Energy: 1.5925383035170684
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Energy: 1.5215980740177333
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Energy: 1.5330575180278518
Energy: 1.5585317111494483
Energy: 1.655154473461294
Energy: 1.5510205938098003
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Energy: 1.7678812772838433
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Energy: 1.568160956288012
Energy: 1.7634848115167638
Energy: 1.6343077092179743
Energy: 1.6952453218623145
Energy: 1.5000816236048642

minimum gb energy = 1.4431204459849694 eV
minimum distance =  2.22712551044277 Angstroms
sigma value = 219


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

Energy: 2.4121629277468446
Energy: 1.570021043548625
Energy: 1.7073114563663232
Energy: 1.560001444935995
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Energy: 1.4655101201906147
Energy: 1.5380896275107543
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Energy: 1.5322321294767693
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Energy: 1.446891119424046
Energy: 1.5742455245741842
Energy: 1.4860664200696143
Energy: 1.4591190063639357
Energy: 1.5508205211988353
Energy: 1.4695336655826585
Energy: 1.4553555966875495
Energy: 1.4668312561879404
Energy: 1.5642903303750273
Energy: 1.3813048973387838
Energy: 1.485270905517964
Energy: 1.4378849837137968
Energy: 1.4660137400731674
Energy: 1.4568806571587085
Energy: 1.4613532191498928
Energy: 1.439116855102321
Energy: 1.4377140227177794
Energy: 1.553603249069686
Energy: 1.5084484313789492

minimum gb energy = 1.3756511445019213 eV
minimum distance =  2.23055285713631 Angstroms
sigma value = 15


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

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Energy: 1.8841198155140413
Energy: 1.8355453897791099
Energy: 1.7617463706769771
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Energy: 1.6849298120762193
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Energy: 1.6529288985081179
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Energy: 1.7556915176500425
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Energy: 1.8196265534477607
Energy: 1.8786407889228134
Energy: 1.6560831477479954
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Energy: 1.619199204787228
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Energy: 1.637520187655692
Energy: 1.753567887486818
Energy: 1.702759458312107
Energy: 1.77341512079812
Energy: 1.8591448105434203
Energy: 1.7782856270706404
Energy: 1.6640612360531504
Energy: 1.6581661020198626
Energy: 1.910454895679672
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minimum gb energy = 1.5912319101471117 eV
minimum distance =  2.22718344743064 Angstroms
sigma value = 293


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

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Energy: 1.816161163422476
Energy: 1.7131631131638774
Energy: 1.73946392075239
Energy: 1.6715190762818568
Energy: 1.6622621552728307
Energy: 1.6943964209267488
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Energy: 1.6753890099785376
Energy: 1.6500465922006353
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Energy: 1.6549101281495926
Energy: 1.7198850305839661
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Energy: 1.635313472116133
Energy: 1.681607013803931
Energy: 1.8994858171128608
Energy: 1.7826890501069506
Energy: 1.6429686988701002
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Energy: 1.6949865279626017
Energy: 1.6669153688223706
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Energy: 1.6630437872203698
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Energy: 1.764955029455056
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Energy: 1.888441972050125
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Energy: 1.6301279996010574
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Energy: 1.6509473782362576
Energy: 1.6893700274864498
Energy: 1.7310548013827507
Energy: 1.7332784353683919
Energy: 1.654581685721647
Energy: 2.088810976830487
Energy: 1.6289624920689565
Energy: 1.6259063649717282
Energy: 1.6988325646606293
Energy: 1.6859182771346213
Energy: 1.6684625996976838
Energy: 1.729033861641425
Energy: 1.7238607851108734
Energy: 1.6535534401071625
Energy: 1.645079537091381
Energy: 1.798782350626539
Energy: 1.7465348060002857
Energy: 1.6484712576420377
Energy: 1.6327142974868327
Energy: 1.6223233329258833
Energy: 1.6835247020466912
Energy: 1.7349790535811738
Energy: 1.7784014590626591
Energy: 1.7377214886585408
Energy: 1.6853712745268046
Energy: 1.7118009702543622
Energy: 1.769963506283573
Energy: 1.7139008535038542
Energy: 1.6779355832253748
Energy: 1.7225988025681045
Energy: 1.6231798711293512
Energy: 1.6742700212409323
Energy: 1.7742520500889172
Energy: 2.039068755700122
Energy: 1.9121896421957845
Energy: 1.8836669206276897
Energy: 1.7884148325079134
Energy: 1.631255121173121
Energy: 1.6314215677666963
Energy: 1.6103780267579764
Energy: 1.6330288179887584
Energy: 1.7635742802456498
Energy: 1.65890644862072
Energy: 1.7036945026321482
Energy: 1.801460062704997
Energy: 1.7813049505311067
Energy: 1.8228934709460582
Energy: 1.7855829402567938
Energy: 1.934865280964098
Energy: 1.8361993496147215
Energy: 1.614655020137489
Energy: 1.6404658382662634
Energy: 1.634240882122895
Energy: 1.6639639231581864
Energy: 1.6630007181046167
Energy: 1.6396274244988887
Energy: 1.7380249885430323
Energy: 1.8846323764570978
Energy: 1.8199657241755705
Energy: 1.6470600631389987
Energy: 1.6109288677507243
Energy: 1.6022939045279165
Energy: 1.6056540199535143
Energy: 1.6554899003950148
Energy: 1.628876790702265
Energy: 1.68311070345331
Energy: 1.732641605439321
Energy: 1.8004207981472968
Energy: 1.6571607235755847
Energy: 1.6900914109031018
Energy: 1.7097221866293448
Energy: 1.6746174567908456
Energy: 1.6202573643002947
Energy: 1.7357700395023397
Energy: 1.9680892135911905
Energy: 1.6231748157113925
Energy: 1.7406033899522326
Energy: 1.801764899974211

minimum gb energy = 1.5965810305269057 eV
minimum distance =  2.23437973252653 Angstroms
sigma value = 293


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

Energy: 1.8815112297665455
Energy: 1.6406759863917315
Energy: 1.6708974885328947
Energy: 1.6533855319424202
Energy: 1.6525039341147505
Energy: 1.6162676830768576
Energy: 1.5181868838295294
Energy: 1.4575958556031186
Energy: 1.5117335653445227
Energy: 1.7173439203783276
Energy: 1.4620210403649925
Energy: 1.785375637291121
Energy: 1.654378338940145
Energy: 1.5746003635559391
Energy: 1.5219040910351902
Energy: 1.4894606223846645
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Energy: 1.6212495693548452
Energy: 1.637873983418688
Energy: 1.5164617929830442
Energy: 1.6988517820541866
Energy: 1.662056240559023
Energy: 1.4979130949650228
Energy: 1.6990077194574587
Energy: 1.7008374861030537
Energy: 1.6582435093941628
Energy: 1.6245725801570057
Energy: 1.511232121986301
Energy: 1.4815439438537172
Energy: 1.6727531655370942
Energy: 1.5340176073781968
Energy: 1.472121673472937
Energy: 1.4624336886051439
Energy: 1.6972980778793556
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Energy: 1.5068676029481365
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Energy: 1.5343732038887834
Energy: 1.6174857883694533
Energy: 1.4575001566622967
Energy: 1.6580737476215925
Energy: 1.6764297802617472
Energy: 1.737715327449233
Energy: 1.5421975576108307
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Energy: 1.666387185074436
Energy: 1.6506627211260245
Energy: 1.508562080460324
Energy: 1.4925068403442576
Energy: 1.4542224451595585
Energy: 1.5255216384225072
Energy: 1.5025779873547243
Energy: 1.4778110302553789
Energy: 1.7063650243609478
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Energy: 1.6202324167287823
Energy: 1.6659438652924143
Energy: 1.503663907445662
Energy: 1.6154088792724413
Energy: 1.790163280927175
Energy: 1.4710453590655725
Energy: 1.5075673224978323
Energy: 1.4895020325105837
Energy: 1.6165815610984426
Energy: 1.6544490116741721
Energy: 1.4980710650514977
Energy: 1.5037070738501996
Energy: 1.5217107183981533
Energy: 1.5076599514201718
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Energy: 1.6598320681166472
Energy: 1.672714564685665
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Energy: 1.6178633637573765
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Energy: 1.4995115156183827
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Energy: 1.5428611193095163
Energy: 1.7262553560927207
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Energy: 1.4591806742843982
Energy: 1.5742610211370531
Energy: 1.7174518060135384
Energy: 1.7455543061529508
Energy: 1.55213970652531
Energy: 1.675073652102904
Energy: 1.6846395931593492
Energy: 1.6823499218116769
Energy: 1.4973976965302112
Energy: 1.5359482480860815
Energy: 1.6227533352595556
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Energy: 1.4882225476260553
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Energy: 1.7009365463135586
Energy: 1.694025948136849
Energy: 1.4865454119550519
Energy: 1.5219718468571761
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Energy: 1.470429106974982
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Energy: 1.6823286977682528
Energy: 1.6584884573431453
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Energy: 1.68320889499136
Energy: 1.7225363975672712
Energy: 1.4908280080299348
Energy: 1.5688805480518506
Energy: 1.4384432338088116
Energy: 1.5247016644271478
Energy: 1.4917579639845757
Energy: 1.4665699706579056
Energy: 1.7224654678346538
Energy: 1.6831064730205798
Energy: 1.688405349719826
Energy: 1.5864917359025088
Energy: 1.6471150393442666
Energy: 1.6974948400065737
Energy: 1.5036789790805078
Energy: 1.4739856424644329
Energy: 1.5699464000333299
Energy: 1.7162217271353628
Energy: 1.4655525984156288
Energy: 1.5319235973850889
Energy: 1.5171907389254378
Energy: 1.6820373041685936
Energy: 1.714920610014917
Energy: 1.6432500555771232
Energy: 1.6509576170462739
Energy: 1.6254071331949091
Energy: 1.5358357498817186
Energy: 1.5057351143880338
Energy: 1.6669146355562723
Energy: 1.6939549966096812
Energy: 1.6918459869038127
Energy: 1.6690244731532164
Energy: 1.6634649137188195
Energy: 1.6526755439095981
Energy: 1.5059320324826009
Energy: 1.4937750712136817
Energy: 1.5132478157072322
Energy: 1.6592085554646905
Energy: 1.679021563244919
Energy: 1.6940214765705883
Energy: 1.51199652139747
Energy: 1.6512433317253352
Energy: 1.6607670300028405
Energy: 1.5068211372382903
Energy: 1.5025706477759568
Energy: 1.6439791799397474
Energy: 1.4743198297438271
Energy: 1.52273609972965
Energy: 1.5054315074416584
Energy: 1.5605679514584307
Energy: 1.7078514367556712
Energy: 1.4950212234250329
Energy: 1.6162452871844923
Energy: 1.7290986358691436
Energy: 1.497320594839936
Energy: 1.5141990485121557
Energy: 1.504931489485817
Energy: 1.6132129290086854
Energy: 1.6528162798216521
Energy: 1.558146802006182
Energy: 1.5099782131615247
Energy: 1.6997959459397802
Energy: 1.488421962195021
Energy: 1.6793662178792539
Energy: 1.6449890336540351
Energy: 1.6135102032100805
Energy: 1.5410062469217043
Energy: 1.5037593782121643
Energy: 1.5889999215256916
Energy: 1.6606647906466476
Energy: 1.6991970984525968
Energy: 1.478195081079994
Energy: 1.6341657223256176
Energy: 1.6661620903667633
Energy: 1.6660761907165313
Energy: 1.5570906265562854
Energy: 1.5089341327009225
Energy: 1.4926694747690505
Energy: 1.6115544203926928
Energy: 1.6735044645306365
Energy: 1.546733868109332

minimum gb energy = 1.4384432338088116 eV
minimum distance =  2.23167064613623 Angstroms
sigma value = 15


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

Energy: 1.8397827491569803
Energy: 1.5791466145501971
Energy: 1.5788809224984426
Energy: 1.5904917628233723
Energy: 1.7483896806427937
Energy: 1.7462325844074356
Energy: 1.6441463628477886
Energy: 1.5970017720467518
Energy: 1.599982517423138
Energy: 1.6563280968599579
Energy: 1.8127815025649912
Energy: 1.8763844176494857
Energy: 1.845377304858493
Energy: 1.9124281552636524
Energy: 1.5980753845610147
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Energy: 1.615222427052927
Energy: 1.6901944749961688
Energy: 1.7972022515514126
Energy: 1.8352097535489516
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Energy: 1.6251147704329485
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Energy: 1.873980436369559
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Energy: 1.843205737434852
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Energy: 1.5834958163213448
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Energy: 1.5858545894942813
Energy: 1.8107807851102975
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Energy: 1.651129966255154
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Energy: 1.6056543355917203
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Energy: 1.7374540120193558
Energy: 1.7431335381935964
Energy: 1.7942588212098394
Energy: 1.767590917150252
Energy: 1.8039061924292665
Energy: 1.6538296349231032
Energy: 1.5770963159939044
Energy: 1.5522200043383723
Energy: 1.5941590521244402
Energy: 1.6140931572236097
Energy: 1.8054224532657197
Energy: 1.8932913677612386
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Energy: 1.871347158263284
Energy: 1.862066310442965
Energy: 1.7125075438489634
Energy: 1.6081894520896733
Energy: 1.58208455407906
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Energy: 1.5787988740009617
Energy: 1.5996001606112122
Energy: 1.6303262352017744
Energy: 1.6080361751122554
Energy: 1.5876576533986049
Energy: 1.7782081258441487
Energy: 1.6414637574827358
Energy: 1.593716261973705
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Energy: 1.8029632614552198
Energy: 1.9947620646779531
Energy: 1.6038034064438178
Energy: 1.599635932085331
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Energy: 1.5785695001645628
Energy: 1.8169512032480126
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Energy: 1.6195662854998307
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Energy: 1.6145064361146833
Energy: 1.6024920089704322
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Energy: 1.7581373659571031
Energy: 1.7761760742363342
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Energy: 1.721298039067454
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Energy: 1.7430904056828613
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Energy: 1.7221506761870764
Energy: 1.6321852460880533
Energy: 1.6186438891726787
Energy: 1.6471189114307259
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Energy: 1.581785026906678
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Energy: 1.7929615067655897
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Energy: 1.6832834525647584
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Energy: 1.9125579586885055
Energy: 1.7511703752909975
Energy: 1.7051213618655343
Energy: 1.613198945157745
Energy: 1.6137100235936463
Energy: 1.715766253238719
Energy: 1.7182946970879867
Energy: 1.7382161129275184
Energy: 1.697575745173808
Energy: 1.7903441941531957
Energy: 1.6026429344687148
Energy: 1.744943445932666
Energy: 1.691278402152762
Energy: 1.5665727316369276
Energy: 1.6895076808189982
Energy: 1.5780041329405616
Energy: 1.6301408110319833
Energy: 1.6593202654629702
Energy: 1.7121650075114092
Energy: 1.7106188622497585
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Energy: 1.7518190941186764
Energy: 1.7413243177299953
Energy: 1.7231712490856033
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Energy: 1.622989988409313
Energy: 1.6210452750481472
Energy: 1.6260346419160254
Energy: 1.5742881570902276
Energy: 1.606322692915505
Energy: 1.8076664339420518
Energy: 1.8333822282045167
Energy: 1.844194867724947
Energy: 1.6765168900664251
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Energy: 1.580603389790907
Energy: 1.5741689096864637
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Energy: 1.652318024407707
Energy: 1.752213833824588
Energy: 1.847701029670101
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Energy: 1.8459744112630192
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Energy: 1.5870800277719883
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Energy: 1.66717481693363
Energy: 1.7438864282807423
Energy: 1.8096672447449618
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Energy: 1.7060781704540064
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Energy: 1.5752238569987176
Energy: 1.5534345420869509
Energy: 1.5845463564896116
Energy: 1.6327113517336567
Energy: 1.5965816732865084
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Energy: 1.735803163644138
Energy: 1.752560716753929
Energy: 1.650652253326642
Energy: 1.6036091801884245
Energy: 1.5765098776150361
Energy: 1.7451052618939231
Energy: 1.8112263144456173
Energy: 1.6434649854581105
Energy: 1.6133596541729478
Energy: 1.5730956070005295
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Energy: 1.612921479406332
Energy: 1.6157182672515595
Energy: 1.59571164682515
Energy: 1.5890005482137681
Energy: 1.6051901909870672
Energy: 1.611652523177571
Energy: 1.6571208868454925
Energy: 1.6721942910039356
Energy: 1.8385047559326102
Energy: 1.7325553280631554
Energy: 1.700638572763998
Energy: 1.8130149925536643
Energy: 1.742734111893614
Energy: 1.5851534040752082
Energy: 1.6896881207553696
Energy: 1.6432241909803271
Energy: 1.6635059421736849
Energy: 1.6541637992782519
Energy: 1.624157614685945
Energy: 1.9343907181697453
Energy: 1.6630158056711617
Energy: 1.80240324601633
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Energy: 1.7599071493063068
Energy: 1.646466924760256
Energy: 1.5868382378590575
Energy: 1.6312842241064975
Energy: 1.6751829963740175
Energy: 1.6077896102226024
Energy: 1.669214089193834
Energy: 1.6928345777566758
Energy: 1.5803900171692309
Energy: 1.6632647238982998
Energy: 1.6866492711028467
Energy: 1.6542981529136875
Energy: 1.6469211415280638
Energy: 1.7252500714153696
Energy: 1.5782899927687246
Energy: 1.7440959614453593
Energy: 1.6573087978615826
Energy: 1.6477009164383751
Energy: 1.7085006224654804
Energy: 1.6563301906587193
Energy: 1.6577667454807448
Energy: 1.661661374695508
Energy: 1.5854487012852747
Energy: 1.5895688272546498
Energy: 1.7301711659160735
Energy: 1.8027252413035182
Energy: 1.6686174989453142
Energy: 1.6719812871939617
Energy: 1.8200703670233718
Energy: 1.7299751563495227
Energy: 1.6831287860837474
Energy: 1.779898609748702
Energy: 1.752753430463589
Energy: 1.7565504820733138
Energy: 1.6308733880230675
Energy: 1.7093013073517629
Energy: 1.641177452744679
Energy: 1.884475453141405
Energy: 1.5753020642519124
Energy: 1.5936627843891875
Energy: 1.597776402328382
Energy: 1.7895818050115746
Energy: 1.6693904545449192
Energy: 1.5555021308963721
Energy: 1.619675417674612
Energy: 1.640490052852515
Energy: 1.7964990558325131
Energy: 1.7638555378246674
Energy: 1.7951229993607567
Energy: 1.7944114945134526
Energy: 1.667948473722686
Energy: 1.5661231703642555
Energy: 1.5805496409868787
Energy: 1.581861117669776
Energy: 1.5743336696345964
Energy: 1.6182540968919574
Energy: 1.7880153565347203
Energy: 1.9038487261597563
Energy: 1.8117263887648585
Energy: 1.8301825775478395
Energy: 1.6425193180670208
Energy: 1.5795871592042416
Energy: 1.5941660574135241
Energy: 1.5927431775853584
Energy: 1.5766705891274015
Energy: 1.5880602261592602
Energy: 1.849305990597559
Energy: 1.896985923148924
Energy: 1.7849614250644967
Energy: 1.6982955204490848
Energy: 1.5919230293095996
Energy: 1.593127078479053
Energy: 1.5779778007437553
Energy: 1.7952444768829883
Energy: 1.865319249933327
Energy: 1.5846138698721917
Energy: 1.5850052133665729
Energy: 1.5736422016883918
Energy: 1.726950708925722
Energy: 1.6351590945286567
Energy: 1.9039366941662454
Energy: 1.8252703117075226
Energy: 1.5922764082687326
Energy: 1.5911666500810535
Energy: 1.6146192565491777
Energy: 1.5969249860639592
Energy: 1.6210868715174778
Energy: 1.76382695344327
Energy: 1.5746900387365144
Energy: 1.8771192157601087
Energy: 1.8938769344268365
Energy: 1.632412455769747
Energy: 1.5817256252697383
Energy: 1.5682207774697114
Energy: 1.5987684373556843
Energy: 1.587847721856663
Energy: 1.6233048274697857
Energy: 1.7036199319936476
Energy: 1.798631307389449
Energy: 1.7795718062680923
Energy: 1.6625031986641923
Energy: 1.5490288181124412
Energy: 1.6206577738952952
Energy: 1.6129872432806884
Energy: 1.5749498541547922
Energy: 1.6441888258716502
Energy: 1.800897445835648
Energy: 1.7897474523906047
Energy: 1.7307361573836946
Energy: 1.750258148539136
Energy: 1.5718031473350111
Energy: 1.6556512536542696
Energy: 1.6263857705759397
Energy: 1.5945305275072519
Energy: 1.6766929459070448
Energy: 1.5873144005848714
Energy: 1.7076497017781593
Energy: 1.6349586117416517
Energy: 1.5880004439041235
Energy: 1.653798049610608
Energy: 1.9537227820205496
Energy: 1.7767673995224058
Energy: 1.707732996396062
Energy: 1.6461682107425282
Energy: 1.5935416975340206
Energy: 1.5689037887817587
Energy: 1.7074279104072172
Energy: 1.739050007470062
Energy: 1.7640668186070128
Energy: 1.7308161549478494
Energy: 1.5841514146884335
Energy: 1.6369285896603696
Energy: 1.7188120170596424
Energy: 1.5741742202809004
Energy: 1.740139611801996
Energy: 1.7166711508489068
Energy: 1.7400779527244197
Energy: 1.7197118440294574
Energy: 1.8726493851763129
Energy: 1.827883608519226
Energy: 1.64253024820472
Energy: 1.5701889519648575
Energy: 1.807661354464049
Energy: 1.6774618542478468
Energy: 1.5875577802046092
Energy: 1.5878647729151856
Energy: 1.623562796948975
Energy: 1.6339136449131335
Energy: 1.9347275264184594
Energy: 1.7044264062247334
Energy: 1.7168051475861787
Energy: 1.7338249109774966
Energy: 1.618391897036498
Energy: 1.5920719084446937
Energy: 1.63206420629625
Energy: 1.6260604964251963
Energy: 1.673357313468964
Energy: 1.5767682759145236
Energy: 1.7987425495285643
Energy: 1.7712777828845794
Energy: 1.8112594941554911
Energy: 1.7085167947188364
Energy: 1.6721352082278373
Energy: 1.593086968594528
Energy: 1.6180062102893056
Energy: 1.5766496108324206
Energy: 1.592732686779839
Energy: 1.799092038090805
Energy: 1.8810806707390144
Energy: 1.7149793406084601
Energy: 1.674247771011645
Energy: 1.6070497528983732
Energy: 1.5773024342008213
Energy: 1.6061398497022925
Energy: 1.5988171075080055
Energy: 1.5795616526578788
Energy: 1.8242250327125649
Energy: 1.5877614290172337
Energy: 1.599341473504464
Energy: 1.811406492560459

minimum gb energy = 1.5441193852659023 eV
minimum distance =  2.21503607287964 Angstroms
sigma value = 437


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

Energy: 2.1720715047041663
Energy: 1.5780689064045734
Energy: 1.6469152379563101
Energy: 1.7038421101347698
Energy: 1.8953508096956224
Energy: 1.723143313610864
Energy: 1.7333450339744234
Energy: 1.6138697459401397
Energy: 1.7211094313002748
Energy: 1.5987898921894685
Energy: 1.7926508022415963
Energy: 1.5948156669476115
Energy: 1.7424319980121403
Energy: 1.823037732636591
Energy: 1.642524700522783
Energy: 1.6261238604012371
Energy: 1.649446759672894
Energy: 1.6144417655377554
Energy: 1.6388854408860984
Energy: 1.7122037120214644
Energy: 1.827083626062013
Energy: 1.708041854877191
Energy: 1.514292181639671
Energy: 1.7139589563749251
Energy: 1.600358434471616
Energy: 1.6107719570498173
Energy: 1.6427790953277739
Energy: 1.56227370172933
Energy: 1.5196770461481002
Energy: 1.7757471339717266
Energy: 1.8147434552483583
Energy: 1.7330441607573168
Energy: 1.8752064763999836
Energy: 1.6859599733206345
Energy: 1.6097978439992657
Energy: 1.5694598448777566
Energy: 1.7189182061126322
Energy: 1.681263198837403
Energy: 1.9441012456909057
Energy: 1.813430219225757
Energy: 1.611193828572808
Energy: 1.89775276930651
Energy: 1.6181785453703867
Energy: 1.8203553818864944
Energy: 1.6379677434659075
Energy: 1.679853958405474
Energy: 1.7745787031533558
Energy: 1.755633428295598
Energy: 1.5400970697861347
Energy: 1.5144917043356545
Energy: 1.6244440643902103
Energy: 1.6630919175540873
Energy: 1.7372215517031546
Energy: 1.6665499546883162
Energy: 1.7205373851284143
Energy: 1.5764716999440054
Energy: 1.5887586446448738
Energy: 1.7175177434063214
Energy: 1.5259534552820524
Energy: 1.580509259745431
Energy: 1.701171323552984
Energy: 1.511967255227047
Energy: 1.6300221564584398
Energy: 1.7109406928853967
Energy: 1.7887383899205829
Energy: 1.625975384061897
Energy: 1.6023821733899395
Energy: 1.6017653520610369
Energy: 1.5768768631886616
Energy: 1.5874974355866676
Energy: 1.722824861350458
Energy: 1.577263409681402
Energy: 1.6000065130208916
Energy: 1.6595249130676077
Energy: 1.9179712495774879
Energy: 1.768660546166664
Energy: 1.66457213059579
Energy: 1.5824312699440184
Energy: 1.6542554041848685
Energy: 1.5478607915544522
Energy: 1.8161494042661517
Energy: 1.5296918653006397
Energy: 1.5246113335780198
Energy: 1.7761310758534667
Energy: 1.6294427281440518
Energy: 1.5722245399319628
Energy: 1.6423244989680896
Energy: 1.6677255054609805
Energy: 1.7168750043734429
Energy: 1.808805209944341
Energy: 1.726734291710792
Energy: 1.536223516180878
Energy: 1.5287070912389313
Energy: 1.685646786793381
Energy: 1.6153935489754647
Energy: 1.619325227474941
Energy: 1.6688603160787077
Energy: 1.635554579354552
Energy: 1.6412600093796037
Energy: 1.7614205075705553
Energy: 1.7034155435776819
Energy: 1.6346149189594446
Energy: 1.9155639005462146
Energy: 1.6402354850999732
Energy: 1.6120872602748197
Energy: 1.6569279098169314
Energy: 1.7459157399320617
Energy: 1.881065737665983
Energy: 1.7200827876112423
Energy: 1.6812799046603462
Energy: 1.6753696592268752
Energy: 1.8844993616202443
Energy: 1.642830613088229
Energy: 1.8022204740864336
Energy: 1.8037868644726347
Energy: 1.6451780732972319
Energy: 1.6156655301994225
Energy: 1.783480835566354
Energy: 1.519059349493917
Energy: 1.6714016189820833
Energy: 1.7504580599362696
Energy: 1.5293769285224614
Energy: 1.609846583345932
Energy: 1.6300759276116032
Energy: 1.7499285294568176
Energy: 1.565384869918113
Energy: 1.592504467659663
Energy: 1.6654865340888805
Energy: 1.6700041863357087
Energy: 1.724754324034619
Energy: 1.673309176769699
Energy: 1.550000159479784
Energy: 1.6372123161686283
Energy: 1.6854325475414875
Energy: 1.79851950144284
Energy: 1.6947132753337435
Energy: 1.7470199024853152
Energy: 1.591668084120533
Energy: 1.6720232980417757
Energy: 1.7315842471902156

minimum gb energy = 1.511967255227047 eV
minimum distance =  2.22703456811951 Angstroms
sigma value = 33