Model name: model_name=SNAP_ZuoChenLi_2019_Mo__MO_014123846623_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.169258482754231
cohesive_energy=5.496712243166805
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-1.1677896984600179e-20, 2.5115080043930398e-20, 6.31654933601232e-20, 1.1418776957583359e-19, 1.81605119287266e-19, 2.5950454940898e-19, 3.40875896296572e-19, 4.2033264210653395e-19, 4.94428504899132e-19, 5.612889380125859e-19, 6.201561118990139e-19, 6.710043917322719e-19, 7.14253547790468e-19, 7.5057168772998e-19, 7.807278563351279e-19, 8.055071201565721e-19, 8.25652889152488e-19, 8.418348731558879e-19, 8.54639468814816e-19, 8.645585443559099e-19, 8.7194457863865e-19, 8.76892100084442e-19, 8.79702317900478e-19, 8.806011389921518e-19, 8.79646241718288e-19, 8.76554040814668e-19, 8.708935507667459e-19, 8.620735683965759e-19, 8.492898010338898e-19, 8.314495642142999e-19, 8.071076946139378e-19, 7.743752259813179e-19, 7.308681194850479e-19, 6.736527897082739e-19, 5.99241298118778e-19, 5.03633009661462e-19, 3.82365862410636e-19, 2.3061730469796e-19, 4.2700410561051e-20, -1.8834547638650397e-19, -4.72949724943728e-19, -8.30595604068378e-19, -1.297864010667942e-18, -1.93472441615304e-18, -2.82372416506062e-18, -4.05929074166874e-18, -5.745261213626939e-18, -8.06011805796282e-18, -1.1407737960575098e-17, -1.651844109654e-17, -2.58572082607992e-17, -4.5812318237269193e-17, -9.29267254249902e-17, -2.27662890984864e-16]
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: -5.3546056935499 eV

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

Energy: 0.01688966279422884
Energy: 0.01803140489125774
Energy: 2.7095673870315284
Energy: 0.01762388155952108
Energy: 0.017621821303755062
Energy: 2.085297571702269
Energy: 0.01766412967822301
Energy: 0.01758472236315674
Energy: 0.3503694127492996
Energy: 0.7897463249304572
Energy: 0.24815549358284833
Energy: 0.3509049825862686
Energy: 0.35009794945919925
Energy: 0.24858365728816173
Energy: 0.24867538019520785
Energy: 0.35069502546666714
Energy: 0.7905608977644758
Energy: 0.2483551517841161
Energy: 0.7920725561240665
Energy: 0.3505771046288524
Energy: 0.24853490826509841
Energy: 0.24816751324265618
Energy: 0.34991157301599657
Energy: 0.3501623290631157
Energy: 0.24763357598653668
Energy: 0.7907649504897908
Energy: 0.35004578488751686
Energy: 0.24863930540114684
Energy: 0.2484110516707626
Energy: 0.35195473269998245
Energy: 0.7916518296025777
Energy: 0.2503705653141358
Energy: 0.7924849691265109
Energy: 0.3501802479075564
Energy: 0.2481014589572255
Energy: 0.01924033955763001
Energy: 0.3506661865677718
Energy: 0.7897333482279079
Energy: 0.018015203418305727
Energy: 0.017945165909151524
Energy: 0.35039732099897786
Energy: 0.24804961279743823

minimum gb energy = 0.01688966279422884 eV
minimum distance =  2.70679225959984 Angstroms
sigma value = 5


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

Energy: 3.5534794460339367
Energy: 2.1821028944538945
Energy: 2.4003047882711805
Energy: 3.3272634919983104
Energy: 3.327240327147419
Energy: 2.448153902441248
Energy: 2.1809228704908046
Energy: 2.0002147936876518
Energy: 1.9962194339531536
Energy: 2.045423600095218
Energy: 2.060614613919267
Energy: 2.0479057358243833
Energy: 2.0555736236909814
Energy: 2.046801452503444
Energy: 2.0341105930211385
Energy: 2.0228325529123454
Energy: 2.1542076437880255
Energy: 2.07934904349212
Energy: 2.0773592592301333
Energy: 2.115211557625138
Energy: 2.0467101557944685
Energy: 2.065653717616431
Energy: 2.1569485878296644
Energy: 2.087120129792583
Energy: 2.0910245023352596
Energy: 2.0294562529804367
Energy: 2.2108658363912363
Energy: 2.0808793294006045
Energy: 2.034387539402228
Energy: 2.017792532525926
Energy: 2.0524014098796317
Energy: 2.0476918634557677
Energy: 2.057477517544893
Energy: 2.126733391076325
Energy: 2.047160917373009
Energy: 2.1382796967801223
Energy: 2.042257397164738
Energy: 2.0880640946243183
Energy: 2.1883003148543994
Energy: 2.03073473892156
Energy: 2.0443801294269983
Energy: 2.0793895020046214
Energy: 2.137998199388491
Energy: 2.0394302924610384
Energy: 2.1069309322226015
Energy: 2.2155255612761833
Energy: 2.186110805134458
Energy: 2.0524367995515953
Energy: 2.0798254893471175
Energy: 2.1050372756640225
Energy: 2.05022232864448
Energy: 2.0788331554679282
Energy: 2.1847729812485586
Energy: 2.06196895868176
Energy: 2.0793236125079084
Energy: 2.148348706584615
Energy: 2.035957123700267
Energy: 1.9606610767774868
Energy: 1.9847495856188346
Energy: 2.016450280872494
Energy: 1.9845486011939208
Energy: 1.991731401263509
Energy: 2.001065575808296
Energy: 2.0342222090292883
Energy: 2.072020678856904
Energy: 1.9478692019866262
Energy: 2.0307098180263305
Energy: 1.9841656175259552
Energy: 1.9644541874079997
Energy: 2.10736754449451
Energy: 2.148552846185777
Energy: 2.1079662126503385
Energy: 2.05397135618833
Energy: 2.0400279455171653
Energy: 2.104008387330464
Energy: 2.1338904213049856
Energy: 2.1456625122442476
Energy: 2.1520547268693577
Energy: 2.0523312541814946
Energy: 2.0778911071685857
Energy: 2.219094752625927
Energy: 2.191729350602097
Energy: 2.0859823555349672
Energy: 2.1374580111317085
Energy: 2.1330649830606996
Energy: 2.0410927738879847
Energy: 2.1409452600858274
Energy: 2.188328855738499
Energy: 2.0600333247123888
Energy: 2.040028630434576
Energy: 2.117089909832543
Energy: 2.206648504483717
Energy: 2.0240206873750646
Energy: 2.1268791361612926
Energy: 1.989606644315338
Energy: 2.100808581668475
Energy: 2.114642468377681
Energy: 2.144695877427323
Energy: 1.9895943518541064
Energy: 1.9939266532385937
Energy: 2.0204550279158378
Energy: 2.0366797291810417
Energy: 2.008506431097271
Energy: 2.0452553850095634
Energy: 2.022738108242966
Energy: 1.9857431275572626
Energy: 1.997739764125417
Energy: 2.067443516572632
Energy: 2.079187122377963
Energy: 2.0359523914675766
Energy: 2.0789804167780854
Energy: 2.0270467870605393
Energy: 1.990102757320682
Energy: 2.0681364414171464
Energy: 2.1242262187908216
Energy: 2.0516251812670174
Energy: 2.072419619605614
Energy: 2.1339255160759967
Energy: 2.0658352232043935
Energy: 1.9482701267658504
Energy: 2.180686745840883
Energy: 1.9990157171797425
Energy: 1.9069374068763698
Energy: 1.9798925797023004
Energy: 2.1808536909395424
Energy: 1.9627681782748736
Energy: 2.065132066136297
Energy: 1.9944385832113931
Energy: 1.9893612568513643
Energy: 1.9452727856465934
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Energy: 2.0997241315218584
Energy: 1.9096117472942766
Energy: 2.1647400232144425
Energy: 2.0094802904418905
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Energy: 2.06919202801965
Energy: 2.026828726357802
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Energy: 1.9986196155160936
Energy: 1.985800209866335
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Energy: 2.0513481586124414
Energy: 2.051194062417105
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Energy: 2.0276206598859527
Energy: 2.006183446849987
Energy: 1.999303947363983
Energy: 2.0235845656951397
Energy: 2.01914031275129
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Energy: 2.039587406810155
Energy: 2.0329270869985008
Energy: 1.9885490393623226
Energy: 2.0142294090044475
Energy: 2.000831488678323
Energy: 1.9737446667159828
Energy: 2.0359229620776564
Energy: 2.0793954962897363
Energy: 1.9658275596308004
Energy: 1.963830136412423
Energy: 2.0024279246990626
Energy: 1.9645560264875106
Energy: 1.9412616708658121
Energy: 2.0597789581138355
Energy: 2.0811383371725554
Energy: 1.9545565897273678
Energy: 1.940563897074627
Energy: 2.0142153624600536
Energy: 2.0054750218213764
Energy: 1.9615324824503106
Energy: 2.0310610084196425
Energy: 2.1052590642997457
Energy: 1.9594154195111746
Energy: 2.0234706458564617
Energy: 1.9418501432023114
Energy: 2.0883346071473894
Energy: 2.0896727366547183
Energy: 2.042864273229432
Energy: 1.941850345482136
Energy: 1.959844010787423
Energy: 2.163385077692091
Energy: 2.3504274609028135
Energy: 2.136344406874526
Energy: 2.038051562133391
Energy: 2.217748099026941
Energy: 2.1171801295526267
Energy: 1.9662845912657683
Energy: 2.0403606320826526
Energy: 1.9420266019037755
Energy: 1.9610882805266538
Energy: 2.0834373084851
Energy: 2.030138419839478
Energy: 1.9626255606985545
Energy: 1.9664886282810272
Energy: 1.9423574989191656
Energy: 2.1597892814372055
Energy: 2.0076109565791214
Energy: 1.9633674122074813
Energy: 2.03003024644732
Energy: 2.0968996598218785
Energy: 1.9596360246166835
Energy: 2.317239739720545
Energy: 2.1643337887413265
Energy: 2.0156068923850072
Energy: 2.1182771269828646
Energy: 2.1650666304699873
Energy: 2.037851868657709
Energy: 2.1815609695755342
Energy: 1.9415821192125253
Energy: 2.0864333746660875
Energy: 2.0952336501402318
Energy: 1.942501864522982
Energy: 2.042905744302324
Energy: 2.0772803299934552
Energy: 2.0889084642720372
Energy: 2.0447748183132832
Energy: 1.940514716139405
Energy: 1.9566141026324788
Energy: 2.098303323655932
Energy: 2.030647672414017
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Energy: 1.961845630299673
Energy: 2.0024901865415035
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Energy: 2.0607412919864823
Energy: 1.9436865400139625
Energy: 1.9655245462443451
Energy: 2.0122399999412033
Energy: 1.9864367356484538
Energy: 1.9749924034026947
Energy: 2.075612657795671
Energy: 2.035348883022426
Energy: 1.9735535226763783
Energy: 1.9964448299280773
Energy: 2.0949893886357898
Energy: 2.0087442990543076
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Energy: 2.0304832976327987
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Energy: 1.996627439615669
Energy: 2.0041570944019282
Energy: 2.0696055559373665
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Energy: 2.02712062013654
Energy: 2.0285453310143833
Energy: 2.042332281293834
Energy: 1.9973413433481944
Energy: 2.1546022441820423
Energy: 2.1280414246780466
Energy: 2.135504166397732
Energy: 2.027282274071611
Energy: 2.0411788076911193
Energy: 2.2117994959294562
Energy: 2.0296498961715623
Energy: 1.9711667570890272
Energy: 1.9091369317344358
Energy: 2.0672829737687404
Energy: 2.0247889974292277
Energy: 1.949164940464653
Energy: 1.9447447877649846
Energy: 2.1932062499585947
Energy: 2.069227209926372
Energy: 1.9097772121610097
Energy: 2.1806939900021143
Energy: 2.1870887827916836
Energy: 1.9084351390394048
Energy: 1.908365000167771
Energy: 2.062244155407094
Energy: 2.0715028808255123
Energy: 2.0900165571920315
Energy: 2.123984258811021
Energy: 2.074022811725435
Energy: 2.106670950193389
Energy: 2.1238767856790157
Energy: 1.995275113665039
Energy: 2.0050302952774124
Energy: 2.078370490541593
Energy: 2.0767888138040176
Energy: 2.034003112756716
Energy: 2.1093262825060943
Energy: 2.037041227095393
Energy: 1.9895723107576544
Energy: 1.9908794089661597
Energy: 2.042080133131089
Energy: 2.028943319825711
Energy: 2.021745481559091
Energy: 2.0589850434444754
Energy: 2.0322219828120924
Energy: 2.1625351497746355
Energy: 2.1041086295145006
Energy: 2.2224085718934297
Energy: 2.157754620394412
Energy: 2.116048503711436
Energy: 2.191230608639912
Energy: 2.154554814199438
Energy: 2.032049838166
Energy: 2.1334337688864062
Energy: 2.080475070319394
Energy: 2.075740186340101
Energy: 2.0590876877660134
Energy: 2.18266760155648
Energy: 2.0803473390337155
Energy: 2.0348157884444773
Energy: 2.0227400212946773
Energy: 2.1743425752284438
Energy: 2.08686249695506
Energy: 2.193968379525277
Energy: 2.2225536814823412
Energy: 2.0511145420114003
Energy: 2.038203302098831
Energy: 2.1073680001474773
Energy: 2.0438492334775904
Energy: 2.123082168883839
Energy: 2.0952831149974687
Energy: 1.9870474543725292
Energy: 2.0463803805087397
Energy: 1.966165546075328
Energy: 2.1836251059277187
Energy: 2.049190350487397
Energy: 1.9681097164916765
Energy: 1.9633483703671475
Energy: 2.1984632533917234
Energy: 2.1338328892474565

minimum gb energy = 1.9069374068763698 eV
minimum distance =  2.45573296639619 Angstroms
sigma value = 401


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

Energy: 3.215079589465146
Energy: 2.246597040468676
Energy: 2.4888415383618363
Energy: 2.093552568416864
Energy: 2.0961062261543395
Energy: 2.2308087587547534
Energy: 2.253893421811555
Energy: 2.1064708033740507
Energy: 2.0950199898034585
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Energy: 2.116713056450573
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Energy: 2.105725897040658
Energy: 2.163308005430632
Energy: 2.0996941029292446
Energy: 2.070617366416245
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Energy: 2.3030531962248757
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Energy: 2.089993322477727
Energy: 2.1381707992865517
Energy: 2.3820784063984983
Energy: 2.0663004221192383
Energy: 2.154790906949512
Energy: 2.1072260809623056
Energy: 2.156623419450922
Energy: 2.2405158396764433
Energy: 2.120981968447095
Energy: 2.1710700101758813
Energy: 2.2551175913783035
Energy: 2.118901362375486
Energy: 2.3492457526774575
Energy: 2.1079449881619925
Energy: 2.1987074004810183
Energy: 2.3562067628190633
Energy: 2.180117028149177
Energy: 2.1073392881172506
Energy: 2.1931503161979555
Energy: 2.331899915661352
Energy: 2.1154808393254876
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Energy: 2.351104747526671
Energy: 2.338428714724085
Energy: 2.197111767893461
Energy: 2.1930349222681946
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Energy: 2.126174198095122
Energy: 2.0503290002884293
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Energy: 2.1746596013084933
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Energy: 2.339306987793061
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Energy: 2.068304626474496
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Energy: 2.074612532370235
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Energy: 2.090388068109356
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Energy: 2.170423708436261
Energy: 2.140397015928572
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Energy: 2.04448534219513
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Energy: 2.191406480590132
Energy: 2.1183740653735565
Energy: 2.109279854983426
Energy: 2.0408791658671332
Energy: 2.128465394694599
Energy: 2.089545892082851
Energy: 2.1067699094375634
Energy: 2.127402616783574
Energy: 2.0825007925967984
Energy: 2.0656857404839353
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Energy: 2.154314254526401
Energy: 2.252348076989653
Energy: 2.0658126251572266
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Energy: 2.049079887380235
Energy: 2.0727239143060414
Energy: 2.254024431217675
Energy: 2.0507689718551223
Energy: 2.0980379405493337
Energy: 2.0457547618868186
Energy: 2.1293734869345013
Energy: 2.108764572105883
Energy: 2.1030467582708843
Energy: 2.1262219613704967
Energy: 2.0862923917908516
Energy: 1.975133767644567
Energy: 2.0185679205416487
Energy: 2.1470552677266754
Energy: 1.9745514741922625
Energy: 1.9749190536708152
Energy: 2.096377252051252
Energy: 2.228849741668866
Energy: 1.9851656142632979
Energy: 2.01796036476386
Energy: 2.034321778740904
Energy: 1.9814396980125462
Energy: 1.9811765313596181
Energy: 2.130092944985404
Energy: 2.047876446927282
Energy: 2.0959060932804303
Energy: 2.089679078759414
Energy: 2.1838626095106046
Energy: 2.1060657456804392
Energy: 2.1040399273561006
Energy: 2.1104298794520227
Energy: 2.1040276835377396
Energy: 2.057883597943004
Energy: 2.0846584131504198
Energy: 2.166125529809222
Energy: 2.0491471575805753
Energy: 2.083860430278968
Energy: 2.244574840551519
Energy: 2.0467283096874818
Energy: 2.056743315736424
Energy: 2.0908920675684004
Energy: 2.059892480938649
Energy: 2.0653340460694225
Energy: 2.144810332688352
Energy: 2.2157688266351845
Energy: 2.06057043264906
Energy: 2.2210142968473914
Energy: 2.1646862935815214
Energy: 2.1201822234993566
Energy: 2.059991581407068
Energy: 2.088939309392536
Energy: 2.122206033421744
Energy: 2.1530514161959453
Energy: 2.3617347525414485
Energy: 2.1201949728346388
Energy: 2.2297060099139245
Energy: 2.283217625321224
Energy: 2.3571113901998415
Energy: 2.2322784861442404
Energy: 2.205503822101213
Energy: 2.104878110664271
Energy: 2.130197254080506
Energy: 2.1500579441152974
Energy: 2.193184785146873
Energy: 2.0745383613939175
Energy: 2.134492775364026
Energy: 2.14651588897482
Energy: 2.1509733520657504
Energy: 2.088675141178024
Energy: 2.148242907989678
Energy: 2.088952155374638
Energy: 2.1492862319494903
Energy: 2.2096271921826895
Energy: 2.097191549967261
Energy: 2.1337302427341984
Energy: 2.1078787410036193
Energy: 2.775508910876546
Energy: 2.417973749907757
Energy: 2.1334715058710527
Energy: 2.77121149350111
Energy: 2.424156690703556
Energy: 2.132143441699886
Energy: 2.1657309278014116
Energy: 2.1031024712937447
Energy: 2.1453993554504747
Energy: 2.2500121996236535
Energy: 2.1729135985223875
Energy: 2.1207674544253177
Energy: 2.11024242450201
Energy: 2.1322038025148795
Energy: 2.1592027273804653
Energy: 2.1280243559406467
Energy: 2.0753832955184075
Energy: 2.138276235672322
Energy: 2.1726618855019963
Energy: 2.355664962956248
Energy: 2.2822540661163715
Energy: 2.1729349563255456
Energy: 2.303170880264793
Energy: 2.3616542176532453
Energy: 2.216452166689337
Energy: 2.1836931606499563
Energy: 2.1305018549000962
Energy: 2.1443208966491945
Energy: 2.1368602618488204
Energy: 2.129567367101828
Energy: 2.0716855554661437
Energy: 2.136927756659786
Energy: 2.143820243252972
Energy: 2.1177633777952782
Energy: 2.0855022761773694
Energy: 2.105081536852788
Energy: 2.0618414116709722
Energy: 2.1809497696820435
Energy: 2.195591139601948
Energy: 2.149473895769667
Energy: 2.121612954758006
Energy: 2.0817879242248014
Energy: 2.1343011478233476
Energy: 2.149626484322229
Energy: 2.128856018185237
Energy: 2.1550061658995725
Energy: 2.1089684883016133
Energy: 2.138184673628624
Energy: 2.1037441572724487
Energy: 2.1646551824691413
Energy: 2.171829673264606
Energy: 2.1893384815629267
Energy: 2.0984903928262297
Energy: 2.096636853893895
Energy: 2.1014559406091746
Energy: 2.0758571819502847
Energy: 2.1400865893683387
Energy: 2.1081530867421177
Energy: 2.039507081488674
Energy: 2.2992223538959835
Energy: 2.163449054510311
Energy: 2.093511192968146
Energy: 2.0264022008104603
Energy: 2.2645600452042958
Energy: 2.138709032930292
Energy: 2.1895294513883203
Energy: 2.275886830734479
Energy: 2.3126628552067143
Energy: 2.1517519980082125
Energy: 2.2080234681243494
Energy: 2.2026775376956684
Energy: 2.1475909323560844
Energy: 2.1153907163410093
Energy: 2.2153734493922617
Energy: 2.142400294909763
Energy: 2.1105914861438135
Energy: 2.0928559660406143
Energy: 2.2056019868866126
Energy: 2.1080866077550877
Energy: 2.1096199098635062
Energy: 2.0457788958424863
Energy: 2.1354716809545855

minimum gb energy = 1.9745514741922625 eV
minimum distance =  2.41605187905567 Angstroms
sigma value = 311


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

Energy: 2.550396005462155
Energy: 2.58865723572516
Energy: 2.050329242761101
Energy: 2.544515149628838
Energy: 2.5438247950711843
Energy: 2.0679713228594436
Energy: 2.0547056834896296
Energy: 2.100467337371234
Energy: 2.103621468615483
Energy: 2.082504683828658
Energy: 2.1430681641004017
Energy: 2.1054531641693854
Energy: 2.1219647033662463
Energy: 2.0919090541014285
Energy: 2.132595514044878
Energy: 2.1313764286313743
Energy: 2.100661078464228
Energy: 2.165378000786688
Energy: 2.1283031397963215
Energy: 2.1284113897607515
Energy: 2.1517970570630247
Energy: 2.121032569114133
Energy: 2.105322543232302
Energy: 2.0853710184304943
Energy: 2.130161458248848
Energy: 2.161125323031985
Energy: 2.1120212494331443
Energy: 2.11432674816027
Energy: 2.098685145498153
Energy: 2.1359665783928223
Energy: 2.1966083050749265
Energy: 2.1414830502271864
Energy: 2.123945313131892
Energy: 2.1750231131714384
Energy: 2.151436059837932
Energy: 2.1059537190221325
Energy: 2.1470075128071664
Energy: 2.1483935132434455
Energy: 2.116853026810432
Energy: 2.1168100524145315
Energy: 2.1470618006670055
Energy: 2.1639783461430406
Energy: 2.10274972359716
Energy: 2.0960010892399357
Energy: 2.285934301324393
Energy: 2.280296128341687
Energy: 2.266118231817364
Energy: 2.285828597626338
Energy: 2.2824633121188587
Energy: 2.100753153862515
Energy: 2.1435852567282057
Energy: 2.1444593321727967
Energy: 2.123025382968804
Energy: 2.1270166327443567
Energy: 2.164675238186274
Energy: 2.146398637528533
Energy: 2.2826462158302188
Energy: 2.146671422220632
Energy: 2.156125185769311
Energy: 2.1529382781163497
Energy: 2.1699777811322583
Energy: 2.1553562571101654
Energy: 2.183751351162572
Energy: 2.2804916567342004
Energy: 2.2792691920305805
Energy: 2.3306266185924227
Energy: 2.2833716830479527
Energy: 2.1596718777205086
Energy: 2.280993014357339
Energy: 2.332918425037719
Energy: 2.1100206433182316
Energy: 2.131095445770253
Energy: 2.1825579063467657
Energy: 2.1460777740535835
Energy: 2.129466548090906
Energy: 2.142888731807406
Energy: 2.1466407934192193
Energy: 2.079833637111153
Energy: 2.050535152387094
Energy: 2.1109565479107
Energy: 2.311001625073729
Energy: 2.063258221365819
Energy: 2.0721881266269686
Energy: 2.0872772341714034
Energy: 2.0798797634401835
Energy: 2.0510582132232207
Energy: 2.0264533883716247
Energy: 2.0410139720173617
Energy: 2.0301772981473984
Energy: 2.0335480810349917
Energy: 2.038658633036538
Energy: 2.1112569537952153
Energy: 2.0857673313597753
Energy: 2.1431553588252843
Energy: 2.122554314592337
Energy: 2.125383680030971
Energy: 2.1229343038834965
Energy: 2.1083950081102016
Energy: 2.1327473057986728
Energy: 2.156210968719132
Energy: 2.131733575130555
Energy: 2.124950704342043
Energy: 2.144300904221788
Energy: 2.145657525460301
Energy: 2.1015749042078147
Energy: 2.1082630790357375
Energy: 2.138609252682235
Energy: 2.145449919411016
Energy: 2.135048703694348
Energy: 2.161134006746138
Energy: 2.110777791022078
Energy: 2.097480302829899
Energy: 2.094114563017038
Energy: 2.1611291086706994
Energy: 2.1412646734770506
Energy: 2.1360595242283518
Energy: 2.1936691835783586
Energy: 2.1837895259806865
Energy: 2.1232615426919095
Energy: 2.147111124139429
Energy: 2.1439749217725894
Energy: 2.116741947834416
Energy: 2.0810125940804856
Energy: 2.1488768749205924
Energy: 2.118489633425016
Energy: 2.1072809438566398
Energy: 2.1031817714548438
Energy: 2.132122298286165
Energy: 2.1391991277855222
Energy: 2.2814946392055
Energy: 2.286779402911626
Energy: 2.2839414405564313
Energy: 2.1023037613435442
Energy: 2.112246476854252
Energy: 2.141806624234855
Energy: 2.12472822105291
Energy: 2.129541535422066
Energy: 2.143977453296816
Energy: 2.128681755590926
Energy: 2.1298774018534354
Energy: 2.2788962169418974
Energy: 2.3311388426757946
Energy: 2.2808449854089194
Energy: 2.27655964960824
Energy: 2.151537701889208
Energy: 2.3320346680921715
Energy: 2.283499125933999
Energy: 2.27941687951915
Energy: 2.156095128616397
Energy: 2.1538985089674765
Energy: 2.1166145332277346
Energy: 2.13895581125868
Energy: 2.2975402390644155
Energy: 2.172066095256985
Energy: 2.0896817698361567
Energy: 2.180648304143211
Energy: 2.1454417012023836
Energy: 2.129042604939918
Energy: 2.1653412581188105
Energy: 2.1469458438179294
Energy: 2.10388689633709
Energy: 2.0701505580131867
Energy: 2.0780131138299285
Energy: 2.310596701085171
Energy: 2.0773442748875097
Energy: 2.0593552764240917
Energy: 2.059305098359319
Energy: 2.328916695805831
Energy: 2.070258092400938
Energy: 2.1011913119701338
Energy: 2.02676820584873
Energy: 2.0306353630517293
Energy: 2.041378850009989
Energy: 2.0410944008928897
Energy: 2.0786993556058855
Energy: 2.0929950637697994
Energy: 2.1310204151188357
Energy: 2.122546624963436
Energy: 2.127937292667858
Energy: 2.14272410891883
Energy: 2.128253644691957
Energy: 2.1447496651189564
Energy: 2.1537127289540643
Energy: 2.1779387558771823
Energy: 2.124460871385263
Energy: 2.1524698859149165
Energy: 2.189211609854185
Energy: 2.128582413095781
Energy: 2.1276839535336753
Energy: 2.1401240851911583
Energy: 2.095735537345099
Energy: 2.142518018192712
Energy: 2.1576486117840425
Energy: 2.1762291559543794
Energy: 2.1054049066102336
Energy: 2.1459417147505047
Energy: 2.1289316000390666
Energy: 2.102562197767593
Energy: 2.133460667744169
Energy: 2.1540774616498863
Energy: 2.1162129042626043
Energy: 2.0838109319420495
Energy: 2.1945768640342553
Energy: 2.155072279927812
Energy: 2.3947040818870247
Energy: 2.084998195609848
Energy: 2.2877953971759757
Energy: 2.280114397024371
Energy: 2.266921871335867
Energy: 2.102216023717748
Energy: 2.12752451044248
Energy: 2.09968102009676
Energy: 2.1405009676039612
Energy: 2.143156015870814
Energy: 2.143633956973648
Energy: 2.1222469381454245
Energy: 2.1032955955636967
Energy: 2.1551180406297408
Energy: 2.126510104219691
Energy: 2.130111178201102
Energy: 2.146906698097549
Energy: 2.1308900872573537
Energy: 2.1261618209607414
Energy: 2.1740972004264716
Energy: 2.331381871414585
Energy: 2.2797157742426144
Energy: 2.2778630636901323
Energy: 2.3298261829510194
Energy: 2.3346942223624483
Energy: 2.283824019767941
Energy: 2.278290247349131
Energy: 2.167885785456274
Energy: 2.154141273819539
Energy: 2.1159967778400213
Energy: 2.172508183481398
Energy: 2.1545570199308277
Energy: 2.174639813105279
Energy: 2.15479383786947
Energy: 2.130279944790876
Energy: 2.106600642320785
Energy: 2.128272164257562
Energy: 2.178589327952867
Energy: 2.145277297547098
Energy: 2.124364986613643
Energy: 2.1606247988354172
Energy: 2.0789660982106724
Energy: 2.087205946581935
Energy: 2.0758213500140847
Energy: 2.060949640429288
Energy: 2.0596521184325707
Energy: 2.0641040660509975
Energy: 2.0596637833502847

minimum gb energy = 2.0264533883716247 eV
minimum distance =  2.42760610194415 Angstroms
sigma value = 39


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

Energy: 2.8279139515273948
Energy: 2.324543268549265
Energy: 2.2512596832376386
Energy: 2.56570362031018
Energy: 2.5655613253003073
Energy: 2.6638788006982286
Energy: 2.567846611686631
Energy: 2.237869943512288
Energy: 2.159292727484293
Energy: 2.1048817120449037
Energy: 2.287633300487293
Energy: 2.1609092166918034
Energy: 2.108167758998838
Energy: 2.2909890891077698
Energy: 2.3010964692679634
Energy: 2.1027497034135805
Energy: 2.1877139702760866
Energy: 2.2955280613558546
Energy: 2.1597711143961504
Energy: 2.1075849711819785
Energy: 2.1947311269309986
Energy: 2.288280520727655
Energy: 1.9993412578180472
Energy: 2.2142008415913894
Energy: 2.163540739591467
Energy: 2.0004898243397387
Energy: 2.0026823569884673
Energy: 2.165178398650483
Energy: 2.1741568599011036
Energy: 2.0804502228501356
Energy: 2.079232061614873
Energy: 2.0784897861765135
Energy: 2.080899584999827
Energy: 2.078197423802461
Energy: 2.0770959687068
Energy: 2.1794458078400063
Energy: 2.0805044232053818
Energy: 2.0783649669583073
Energy: 2.0973115628326737
Energy: 2.0811494007824463
Energy: 2.0845696256267416
Energy: 2.078581735975735
Energy: 2.142309632239486
Energy: 2.0977365946245965
Energy: 2.0962147636325317
Energy: 2.1505331004346875
Energy: 2.1199260243968765
Energy: 2.096652154485432
Energy: 2.0792908755995088
Energy: 2.1788816242467868
Energy: 2.1354642839279987
Energy: 2.2086507030347597
Energy: 2.1771605206524973
Energy: 2.1420009938741464
Energy: 2.1324177622611917
Energy: 2.196621093657555
Energy: 2.176445849866468
Energy: 2.142597018854156
Energy: 2.135454710320084
Energy: 2.1770280035287253
Energy: 2.1449978792979167
Energy: 2.132506591998248
Energy: 2.1768533338750418
Energy: 2.1773113933032313
Energy: 2.1598843948356383
Energy: 2.4312410977999024
Energy: 2.1786347708499174
Energy: 2.163525123564983
Energy: 2.4318856504232045
Energy: 2.308025172392163
Energy: 2.198980999442692
Energy: 2.160473046978463
Energy: 2.170250474994412
Energy: 2.288819327318928
Energy: 2.1610741007874
Energy: 2.173470446901394
Energy: 2.288247947495694
Energy: 2.1550060328815572
Energy: 2.074829060758379
Energy: 2.1722610916035143
Energy: 2.2898717823383246
Energy: 2.159299863567818
Energy: 2.17106346050742
Energy: 2.2990230439188175
Energy: 2.1632850108554518
Energy: 2.6173143162361465
Energy: 2.4307244958421084
Energy: 2.245513954239483
Energy: 2.6176594880833863
Energy: 2.618285882760575
Energy: 2.406811224816176
Energy: 2.2010188169479816
Energy: 2.1539150143870884
Energy: 2.1725142707589944
Energy: 2.2971690017064033
Energy: 2.16065412011859
Energy: 2.2207898484388022
Energy: 2.297639060778002
Energy: 2.214373907873793
Energy: 2.1596041655200215
Energy: 2.1725283610780632
Energy: 2.2875196476521853
Energy: 2.161085158621807
Energy: 2.2139212391226604
Energy: 2.2906445285838
Energy: 2.827611458327295
Energy: 2.1993675515385767
Energy: 2.1862181204393654
Energy: 2.564995404391023
Energy: 2.5652307541688093
Energy: 2.1368172012884985
Energy: 2.300930267049933
Energy: 2.197000384698511
Energy: 2.1570366807571397
Energy: 2.105045977405535
Energy: 2.287904349358736
Energy: 2.16059033130677
Energy: 2.1081901073102824
Energy: 2.2908319054886297
Energy: 2.293582407851461
Energy: 2.1025478580253405
Energy: 2.1883724709328014
Energy: 2.2937470882473185
Energy: 2.1595302839972392
Energy: 2.107877029511807
Energy: 2.163567580617837
Energy: 2.3231380139855236
Energy: 1.9997607276311644
Energy: 2.2031562767105157
Energy: 2.1637350231504686
Energy: 2.0008274472336
Energy: 2.029676673185504
Energy: 2.2142881557236054
Energy: 2.1745821630451387
Energy: 2.0804565642751567
Energy: 2.0789011405776474
Energy: 2.078405653916213
Energy: 2.080929248854665
Energy: 2.077534430142856
Energy: 2.0775425433654577
Energy: 2.17915662667514
Energy: 2.0804205154197413
Energy: 2.078326939380599
Energy: 2.097204554167235
Energy: 2.081268921297687
Energy: 2.0846620103635702
Energy: 2.0793775269369714
Energy: 2.1355441382491582
Energy: 2.097591969596661
Energy: 2.0960792647153537
Energy: 2.2261125761522393
Energy: 2.120144523726038
Energy: 2.0974040947907406
Energy: 2.0792803356147433
Energy: 2.178315560994622
Energy: 2.1352430162760987
Energy: 2.208333377886646
Energy: 2.1771016655542623
Energy: 2.1420148946639874
Energy: 2.1320858477847113
Energy: 2.1491689292723284
Energy: 2.176899942430542
Energy: 2.1427722315695643
Energy: 2.13397258352825
Energy: 2.1772571411922033
Energy: 2.1449681279751247
Energy: 2.132307372354172
Energy: 2.176559498492692
Energy: 2.177237798073506
Energy: 2.1601159036393685
Energy: 2.4311743162755826
Energy: 2.178452078765029
Energy: 2.1630724474519627
Energy: 2.4314230289878487
Energy: 2.3072113880813316
Energy: 2.19902178834001
Energy: 2.1605012886374784
Energy: 2.1701217706180658
Energy: 2.287908117888835
Energy: 2.1605041320162823
Energy: 2.1739804852228737
Energy: 2.296377009493724
Energy: 2.1538077314977815
Energy: 2.075273029908129
Energy: 2.172161357255912
Energy: 2.290491031493404
Energy: 2.159651568321764
Energy: 2.171309718581592
Energy: 2.2751931755806707
Energy: 2.289855168045884
Energy: 2.617631626125802
Energy: 2.4319236085618217
Energy: 2.2436492145141385
Energy: 2.6177564190039915
Energy: 2.617781194714503
Energy: 2.251542147437703
Energy: 2.200865154844523
Energy: 2.1544323148224818
Energy: 2.1723997428134583
Energy: 2.2960571080324965
Energy: 2.160503865580079
Energy: 2.220311797056632
Energy: 2.298369183086337
Energy: 2.214203152408529
Energy: 2.159668389460763
Energy: 2.1733197383062564
Energy: 2.2875306003560647
Energy: 2.161205696296237
Energy: 2.2140379344176004
Energy: 2.2910149033468157

minimum gb energy = 1.9993412578180472 eV
minimum distance =  2.45492611955937 Angstroms
sigma value = 21


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

Energy: 3.1056151753549175
Energy: 2.1428659071086864
Energy: 2.147186661110592
Energy: 2.240071098875785
Energy: 2.3565940764329265
Energy: 2.086043973244232
Energy: 2.111990289043932
Energy: 2.239151366272747
Energy: 2.0995183552093217
Energy: 2.098042489137429
Energy: 2.1865593246627357
Energy: 2.0992933046874094
Energy: 2.0990252758585943
Energy: 2.222716710893376
Energy: 2.140904291558321
Energy: 2.1001742838036637
Energy: 2.1010468306157994
Energy: 2.094771878797954
Energy: 2.1002400066734777
Energy: 2.0990280968501707
Energy: 2.1198357233017013
Energy: 2.222976509305771
Energy: 2.103160546101179
Energy: 1.9872207880378148
Energy: 2.093654853336681
Energy: 2.1028245103615575
Energy: 1.9873859204625623
Energy: 2.1206030016138997
Energy: 2.032214668510739
Energy: 1.9903944318170896
Energy: 2.1003664675418645
Energy: 2.0960365696420467
Energy: 2.0290807214174174
Energy: 1.9867965214021008
Energy: 2.120943950284678
Energy: 2.029221498583622
Energy: 2.0544044307669163
Energy: 2.0982816265609285
Energy: 2.0260135360337608
Energy: 2.024371552065814
Energy: 2.1011237443174084
Energy: 2.0957865470975365
Energy: 1.9812360062504124
Energy: 1.9832504514188793
Energy: 1.9787554147259956
Energy: 2.0283834972409216
Energy: 1.9826511518429093
Energy: 2.094449646924718
Energy: 1.9954603838067704
Energy: 1.9817704153132136
Energy: 1.9823027078799516
Energy: 2.0706539367766528
Energy: 1.981818146323114
Energy: 1.9812158887997924
Energy: 1.9814661400802085
Energy: 1.9759901806810498
Energy: 1.9868466214283027
Energy: 1.9814079944367002
Energy: 2.068148771906549
Energy: 2.0048577959544778
Energy: 1.9818757303609766
Energy: 2.0670576836613406
Energy: 2.0055031009534865
Energy: 1.9643750449446902
Energy: 1.9429251664867069
Energy: 1.9996833929916606
Energy: 1.975873534905897
Energy: 1.9438718494118776
Energy: 1.9616616666445335
Energy: 1.9756465021485217
Energy: 2.031443656006804
Energy: 2.0307064333589357
Energy: 2.029887352202127
Energy: 2.0041109540148687
Energy: 2.030356837345687
Energy: 2.032338426444493
Energy: 2.005015393421253
Energy: 2.0047649085248658
Energy: 2.0302461720666423
Energy: 2.02892271030237
Energy: 2.0041836178230024
Energy: 2.0286406532687997
Energy: 2.028975390307207
Energy: 1.996686817347322
Energy: 1.967927469429395
Energy: 1.9620768736228595
Energy: 1.953536577888685
Energy: 1.9760156278561598
Energy: 1.999469278300782
Energy: 1.9417746061887777
Energy: 1.966915945237725
Energy: 2.0048117228117746
Energy: 1.9636511875901923
Energy: 2.0023691425567507
Energy: 1.9750138188336088
Energy: 1.9613066327096136
Energy: 1.9537155687540253
Energy: 1.9657610116999158
Energy: 2.0062412941739267
Energy: 1.9804299232065643
Energy: 1.9807794738163715
Energy: 1.982091836047264
Energy: 2.0669302636485987
Energy: 1.9814431168452187
Energy: 1.982477030956154
Energy: 2.108804061028343
Energy: 2.0979782454395686
Energy: 1.9829842083079658
Energy: 2.0280902148602564
Energy: 2.0939404292882653
Energy: 1.983243946940425
Energy: 2.028109373061863
Energy: 2.105223267147677
Energy: 2.1205933898383607
Energy: 1.984781773676131
Energy: 2.0274570713910625
Energy: 2.095369014288
Energy: 1.9826980111104469
Energy: 2.0287368568928836
Energy: 2.120545855048759
Energy: 2.100730540855687
Energy: 2.0275590968057253
Energy: 2.091762804295212
Energy: 2.099715941609904
Energy: 2.0246528796537535
Energy: 2.093781357743233
Energy: 2.120716907296564
Energy: 1.9873237245266835
Energy: 2.024399936788962
Energy: 2.1251637635779734
Energy: 1.9871564632551575
Energy: 1.9872693795157077
Energy: 2.0919865867362133
Energy: 2.120704720935355
Energy: 2.0996614143346553
Energy: 2.0993940480348017
Energy: 2.0938564538089177
Energy: 2.1001897017592244
Energy: 2.1000269598212045
Energy: 2.0931784920007437
Energy: 2.1186862884612694
Energy: 2.0991125246239672
Energy: 2.099506339298823
Energy: 2.1859053039105936
Energy: 2.0997121012876305
Energy: 2.0993181872701423
Energy: 2.2116130996651115
Energy: 2.0994933568046408
Energy: 2.1021065473226694
Energy: 2.1816054903031903
Energy: 2.1826520416378172
Energy: 2.103903524421434
Energy: 2.087411117068085
Energy: 2.240223862400886
Energy: 2.2232542622623352
Energy: 2.102330445557493
Energy: 2.1814665662062924
Energy: 2.1843653145034687
Energy: 2.102207631367501
Energy: 1.9869848608365805
Energy: 2.23967408372908
Energy: 2.188228595340154
Energy: 2.1037915930467337
Energy: 2.1020233104308117
Energy: 2.1859523346566783
Energy: 2.1000936984332226
Energy: 2.101195218026659
Energy: 2.2108443125449444
Energy: 2.23909519130054
Energy: 2.100788656055735
Energy: 2.098300014049572
Energy: 2.181360076112261
Energy: 2.1814440961651522
Energy: 2.0997828199482487
Energy: 2.0936505769624767

minimum gb energy = 1.9417746061887777 eV
minimum distance =  2.48485806969412 Angstroms
sigma value = 113


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

Energy: 3.03455228447031
Energy: 1.9009511617110584
Energy: 1.7737412343286876
Energy: 2.0746219325484017
Energy: 2.0743291496236296
Energy: 1.810020557280584
Energy: 1.9010429652545435
Energy: 1.965962799673271
Energy: 1.8575551901971419
Energy: 1.8912910827963454
Energy: 1.907442431765224
Energy: 1.9006721097466661
Energy: 1.8984502539056447
Energy: 1.9013496700020502
Energy: 1.9566482904201865
Energy: 1.8559335324988584
Energy: 1.9009071217203768
Energy: 1.903781759987595
Energy: 1.9365456629262077
Energy: 1.9034097385569637
Energy: 1.9088344097825725
Energy: 1.9193631681464542
Energy: 1.9097969243168158
Energy: 1.8527764378609393
Energy: 1.9429289638722191
Energy: 1.8182276834730309
Energy: 1.852617002014331
Energy: 1.91360941311222
Energy: 1.7831213385526565
Energy: 1.8605373197412785
Energy: 1.9014014140902915
Energy: 1.9043867253193476
Energy: 1.8553479641423294
Energy: 1.8521234220325669
Energy: 1.9119998718863407
Energy: 1.8242148627853965
Energy: 1.8296059174577841
Energy: 1.8833924339213384
Energy: 1.8868109737835126
Energy: 1.8303223558039527
Energy: 1.8424249654844604
Energy: 1.8997083126997512
Energy: 1.8186105945326332
Energy: 1.9077035365582022
Energy: 1.8314796469733199
Energy: 1.827981484233373
Energy: 1.8308816031766033
Energy: 1.8452705784207886
Energy: 1.8220378800709474
Energy: 1.819435078359084
Energy: 1.8549010007842768
Energy: 1.8177950175201039
Energy: 1.782782421030655
Energy: 1.812027909663475
Energy: 1.8368650149404093
Energy: 1.7600659748695542
Energy: 1.8242766353583857
Energy: 1.828052205133179
Energy: 1.7954907249956609
Energy: 1.8297168605167844
Energy: 1.8265878839001597
Energy: 1.8381059714914452
Energy: 1.8260331647030055
Energy: 1.7374810305840476
Energy: 1.7856096235876149
Energy: 1.8105556093414252
Energy: 1.7989306099417142
Energy: 1.783509809510987
Energy: 1.7946800489464376
Energy: 1.771932627618439
Energy: 1.7491636339438654
Energy: 1.7901804764999174
Energy: 1.7586460446087344
Energy: 1.7451374189485198
Energy: 1.7453980987154565
Energy: 1.7581195912745202
Energy: 1.7711658140465334
Energy: 1.785293768171102
Energy: 1.7972293865468074
Energy: 1.7636582600525144
Energy: 1.7761818345009444
Energy: 1.7846852979047223
Energy: 1.7780362178064046
Energy: 1.780660923070295
Energy: 1.7343678872037882
Energy: 1.7567426884791444
Energy: 1.7069485078562576
Energy: 1.7435477651220412
Energy: 1.7787922645745877
Energy: 1.7100741564387782
Energy: 1.7250099796415692
Energy: 1.7464565462250614
Energy: 1.7249606366143064
Energy: 1.70480323082201
Energy: 1.7376721249893121
Energy: 1.7778727296352448
Energy: 1.6766855428172411
Energy: 1.7234300101442734
Energy: 1.7616628660434246
Energy: 1.7397927056262756
Energy: 1.716483389495677
Energy: 1.7222244399440296
Energy: 1.750727650546543
Energy: 1.7181308365117545
Energy: 1.7256909470824862
Energy: 1.6979452785378781
Energy: 1.6882886219419537
Energy: 1.7100233213124854
Energy: 1.7193080419535278
Energy: 1.6935444964874422
Energy: 1.7108984437123234
Energy: 1.7217021987881143
Energy: 1.689956438493719
Energy: 1.6890408950040512
Energy: 1.7108962070061704
Energy: 1.7189213796417038
Energy: 1.6878822947825947
Energy: 1.710157537785187
Energy: 1.7176865996433992
Energy: 1.6959728848311726
Energy: 1.6902286320672026
Energy: 1.7548084575442962
Energy: 1.702083280848047
Energy: 1.6986664495918145
Energy: 1.7596860597741888
Energy: 1.7011911056029487
Energy: 1.6936850980139937
Energy: 1.6885961768442967
Energy: 1.7572285765950244
Energy: 1.7229780690074703
Energy: 1.6886035954529623
Energy: 1.7538717256227714
Energy: 1.7273582698610814
Energy: 1.6806072212121574
Energy: 1.6833771183369313
Energy: 1.721305430816158
Energy: 1.692389414474493
Energy: 1.6697163487836038
Energy: 1.7224464035000988
Energy: 1.6933857455056396
Energy: 1.736560280784178
Energy: 1.7361780904297368
Energy: 1.7361888901388678
Energy: 1.7174306566822588
Energy: 1.7403104906501499
Energy: 1.7332185193416403
Energy: 1.718140523239521
Energy: 1.7239013847108988
Energy: 1.7266497608017934
Energy: 1.724858629817203
Energy: 1.7157121243150275
Energy: 1.7322427388906498
Energy: 1.725165194342491
Energy: 1.713929172628564
Energy: 1.7033982922932402
Energy: 1.6954758954376217
Energy: 1.6732656277280133
Energy: 1.6931736726051096
Energy: 1.7213519038032907
Energy: 1.6737101241002943
Energy: 1.682464897040707
Energy: 1.7732804070628425
Energy: 1.7313211706851714
Energy: 1.6905216542682142
Energy: 1.7305631161146997
Energy: 1.758466692043969
Energy: 1.6935604295267501
Energy: 1.7054221787470663
Energy: 1.7812818410270426
Energy: 1.7380538319637369
Energy: 1.6915358143383863
Energy: 1.7023687185542047
Energy: 1.7596242161499756
Energy: 1.6907722376967715
Energy: 1.6996677951258958
Energy: 1.7178864423595672
Energy: 1.7133067731229128
Energy: 1.6890966407058792
Energy: 1.7212285798361535
Energy: 1.7103129369907781
Energy: 1.6889510347568888
Energy: 1.7113842179745138
Energy: 1.7306222615021085
Energy: 1.716500352366953
Energy: 1.6930311022767184
Energy: 1.7201063762534397
Energy: 1.7088029912329181
Energy: 1.6903325243513208
Energy: 1.7106019889744677
Energy: 1.719000114660738
Energy: 1.713753722744317
Energy: 1.7538255277480244
Energy: 1.7228956514362126
Energy: 1.7202043225479067
Energy: 1.753586215898221
Energy: 1.7231233882877637
Energy: 1.7082437134645372
Energy: 1.7061992591252657
Energy: 1.7786909553311596
Energy: 1.7363673514388385
Energy: 1.7053093486724191
Energy: 1.7614668036911363
Energy: 1.7392037508802642
Energy: 1.7155491231425375
Energy: 1.7124104845199724
Energy: 1.7850401634130808
Energy: 1.736054590341597
Energy: 1.7043056380747639
Energy: 1.777355409714796
Energy: 1.745739292401254
Energy: 1.7749160522696292
Energy: 1.758645963568772
Energy: 1.7869941846805382
Energy: 1.776066727698345
Energy: 1.7764095512790914
Energy: 1.787201359900099
Energy: 1.7793288081230965
Energy: 1.7709186379828148
Energy: 1.738547747368493
Energy: 1.7482936569349532
Energy: 1.7709617748439428
Energy: 1.757562265678092
Energy: 1.7519167714289547
Energy: 1.7478247689772861
Energy: 1.77805434419078
Energy: 1.7904385719963494
Energy: 1.7843481309476044
Energy: 1.7981719331155277
Energy: 1.8132611107098435
Energy: 1.7841589716146993
Energy: 1.7905867745267645
Energy: 1.8249683850156104
Energy: 1.844460504299495
Energy: 1.8293916267321904
Energy: 1.8353175357952347
Energy: 1.8393650081433364
Energy: 1.8310686844773
Energy: 1.8316679574493009
Energy: 1.7621627342359916
Energy: 1.8555139474910316
Energy: 1.8108721925628068
Energy: 1.760430548325558
Energy: 1.7830265399106393
Energy: 1.8110436293480598
Energy: 1.8295196934125544
Energy: 1.7877569283155195
Energy: 1.8629376714442025
Energy: 1.8310664608282596
Energy: 1.7713878287568463
Energy: 1.8903070246603066
Energy: 1.8315894272960493
Energy: 1.8656006011760555
Energy: 1.9077804865977632
Energy: 1.8488419487223167
Energy: 1.8336637214849854
Energy: 1.8983147120483448
Energy: 1.914117722477516
Energy: 1.8355696864318456
Energy: 1.8653238929469556
Energy: 1.9160298287454225
Energy: 1.852559830781667
Energy: 1.8377215406774436
Energy: 1.9066380304347532
Energy: 1.8517348784749663
Energy: 1.8556964232560438
Energy: 1.8769959238742542
Energy: 1.916242584255347
Energy: 1.9045302310462766
Energy: 1.7898835308209715
Energy: 1.8838566840799102
Energy: 1.851907731656912
Energy: 1.8056154213829734
Energy: 1.9221130763762642
Energy: 1.9416250194346438
Energy: 1.9030835171551264
Energy: 1.8927421302096914
Energy: 1.9052736411572455
Energy: 1.9280021610744311
Energy: 1.8585985938629528
Energy: 1.9063160853128038
Energy: 1.9079625611997557
Energy: 1.907093500401132
Energy: 1.9479078866281327
Energy: 1.9043505967516365
Energy: 1.8958949521390946
Energy: 1.8254450042397408
Energy: 1.9500959500617472
Energy: 1.976912034002653
Energy: 1.9320762192395826
Energy: 1.9042937607238326
Energy: 1.9606055559739164
Energy: 1.8283165608946437
Energy: 1.9032714479992214
Energy: 1.9504471377746302
Energy: 1.953396285255704
Energy: 1.8984219573301464
Energy: 1.9015429791042475
Energy: 1.9042980998490675
Energy: 1.9023596819496342
Energy: 1.9024266744791944
Energy: 1.9081919882555731
Energy: 1.9143179704394897
Energy: 1.903439270947454
Energy: 1.9013433323698905
Energy: 1.9042138384023481
Energy: 1.9021235366334457
Energy: 1.9035536734829988
Energy: 1.9068294143588802
Energy: 1.9664198811899476
Energy: 1.9266199155528216
Energy: 1.8276543439114097
Energy: 1.9046868349332406
Energy: 1.9041315508115935
Energy: 1.8122488686721545
Energy: 1.9386442482041362

minimum gb energy = 1.6697163487836038 eV
minimum distance =  2.49124162531312 Angstroms
sigma value = 365


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

Energy: 2.757092606446744
Energy: 2.0070644141644656
Energy: 2.755801126942667
Energy: 2.75108721558382
Energy: 2.750787939631193
Energy: 2.7537742031062633
Energy: 2.1219545855215136
Energy: 1.4740292757649451
Energy: 0.815410745498475
Energy: 0.8011524507850606
Energy: 0.7957705818839571
Energy: 0.7958248928032027
Energy: 0.8006504431365042
Energy: 0.794685300239338
Energy: 0.8152181437438997
Energy: 0.8128134511365431
Energy: 0.7963988317522402
Energy: 0.795026811730749
Energy: 1.1561612647305821
Energy: 0.7974007731422259
Energy: 0.8127996288463517
Energy: 1.7156383212469866
Energy: 1.7396380854976667
Energy: 2.125132980713933
Energy: 2.125422205929138
Energy: 2.1364958306589124
Energy: 2.1148816122765113
Energy: 2.112705270591005
Energy: 1.528739126980322
Energy: 1.5240883204309186
Energy: 1.5246525984005737
Energy: 1.5282398996689572
Energy: 2.1134869976179878
Energy: 1.5292534743098258
Energy: 1.525728809404016
Energy: 0.8145430861739043
Energy: 0.815157965357933
Energy: 0.8005533203332028
Energy: 0.7964089239400276
Energy: 0.7955184240658436
Energy: 0.798159384339676
Energy: 0.7955036649974913
Energy: 1.5290981507891923
Energy: 1.5264983197937094
Energy: 2.1128657958524024
Energy: 2.1143518997974255
Energy: 2.111634767412202
Energy: 2.1163055725976356
Energy: 1.5248691359067732
Energy: 1.5301983124469885
Energy: 1.5258597740246742
Energy: 2.1118413714713644
Energy: 2.1155185442405644
Energy: 2.1562702715545243
Energy: 2.114355124987126
Energy: 1.5524552638534599
Energy: 0.8141282803057325
Energy: 0.815308455365607
Energy: 0.7968312188429316
Energy: 0.7959965528140456
Energy: 0.7952641852290278
Energy: 0.7960390057889748
Energy: 0.8125880140844083
Energy: 1.528213080564712
Energy: 1.5247047608557458
Energy: 1.5305795806226499
Energy: 1.5280967946993238
Energy: 1.5284038760353964
Energy: 1.530336272711395
Energy: 1.5242908252932061
Energy: 1.5270473730736147
Energy: 1.7405071741538662
Energy: 2.1227276959354877
Energy: 2.1220220463464137
Energy: 2.1220754758141935
Energy: 2.121248966151485
Energy: 2.1232566593883617
Energy: 0.8151051318886651
Energy: 0.8119860446572406
Energy: 0.796158397680488
Energy: 0.7956825981841988
Energy: 1.1554861971445916
Energy: 0.7987022432062425
Energy: 0.7974136908133851
Energy: 0.8148505712693278
Energy: 0.8129213334731397
Energy: 0.801232664067082
Energy: 0.796384732283379
Energy: 0.7955886965392035
Energy: 0.796419906006714
Energy: 0.796455826468458
Energy: 1.52765107664812
Energy: 1.5264466131065784
Energy: 2.12518412946259
Energy: 2.1226897795139323
Energy: 2.1206203825239567
Energy: 2.1740764153528893
Energy: 2.175113026798838
Energy: 1.5281022096652732
Energy: 1.523892955415003
Energy: 1.5245098144088582
Energy: 1.1563039588603632
Energy: 0.7954682967603582
Energy: 0.7988140145768005
Energy: 1.524514018551801
Energy: 0.8154305566739811
Energy: 0.815760971459998
Energy: 0.7985263408054165
Energy: 1.1556061436405876
Energy: 1.1557456217526076
Energy: 0.7965388102511983
Energy: 0.8150386034185313
Energy: 1.7134382090736897
Energy: 1.551974341656845
Energy: 2.1131855683183574
Energy: 2.112756001654184
Energy: 2.1440425943535786
Energy: 2.113525185829541
Energy: 2.1102951600869497
Energy: 1.5298087253718125
Energy: 1.524594080590065
Energy: 1.5252244487061553
Energy: 2.1131391840009406
Energy: 2.1143224523093735
Energy: 1.530000270911093
Energy: 1.5252212290433156
Energy: 0.8153523960056936
Energy: 0.8153081153031083
Energy: 0.7946302981715935
Energy: 0.796421109211507
Energy: 0.7953874272607531
Energy: 0.7983369760188935
Energy: 0.7949583575847272
Energy: 1.530004232492373
Energy: 1.5251889833761298
Energy: 1.5249210227840195
Energy: 2.1138750817248133
Energy: 2.1117425757812422
Energy: 2.113171437145329
Energy: 1.5243178015562655

minimum gb energy = 0.7946302981715935 eV
minimum distance =  2.64088916546485 Angstroms
sigma value = 23