Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.589836478233337
cohesive_energy=3.5173113226742925
mass=63.546
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=[1.60183216602369e-19, 2.2777824770251198e-19, 2.7910397617270196e-19, 3.2072692294738797e-19, 3.5557907126679e-19, 3.85594248328146e-19, 4.1186994512574594e-19, 4.34487872667924e-19, 4.54202656149294e-19, 4.71478926793716e-19, 4.8663711992799e-19, 4.99920766400484e-19, 5.11533342643716e-19, 5.21643077204256e-19, 5.304021768623339e-19, 5.37958041868278e-19, 5.444260289397359e-19, 5.498445903159239e-19, 5.54247371706156e-19, 5.5771127758886395e-19, 5.60310008089212e-19, 5.621060480959259e-19, 5.631522694379279e-19, 5.63490328707702e-19, 5.631282367884179e-19, 5.61961852198866e-19, 5.59853387748522e-19, 5.56649034480522e-19, 5.5218216602493e-19, 5.46274940775372e-19, 5.3869183876665e-19, 5.29019498427192e-19, 5.167756645901639e-19, 5.014941038550719e-19, 4.826300761663559e-19, 4.59494645571396e-19, 4.3121783015793e-19, 3.9673097811107997e-19, 3.5471069153116195e-19, 3.0334010211521998e-19, 2.4032649509999997e-19, 1.6283081349005399e-19, 6.73990848978048e-20, -5.0561490215772e-20, -1.9900475753250598e-19, -3.8691764622783e-19, -6.2697978218322e-19, -9.375216682682698e-19, -1.3445370181929959e-18, -1.88837344613142e-18, -2.62814646334824e-18, -3.6521295936703194e-18, -5.08014962755452e-18, -6.99587222882832e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.33896697780266e-24 eV

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

Energy: 0.01556267070573744
Energy: 0.020272618620959946
Energy: 0.12021115933749442
Energy: 0.11960316407002144
Energy: 0.019923552934730564
Energy: 0.01694378962576826
Energy: 0.11889504474213963
Energy: 0.12087106173598595
Energy: 0.1189805329802302
Energy: 0.019055855545371456
Energy: 0.01636045677918978
Energy: 0.11786061615163552
Energy: 0.11928986120727193
Energy: 0.12037780004078923
Energy: 0.12053686204853457
Energy: 0.11861593710427902
Energy: 0.11791246677739145
Energy: 0.11909363576149302
Energy: 0.12057670311467365
Energy: 0.11993216107795726
Energy: 0.12080592240518705
Energy: 0.019103837287371382
Energy: 0.015986370011135724
Energy: 0.11862463153635106
Energy: 0.12009494256928652
Energy: 0.12056322642204095
Energy: 0.01878379468706699
Energy: 0.016004014291156124
Energy: 0.11814439116551302
Energy: 0.12035162986143451
Energy: 0.11979155367687411
Energy: 0.017375753082066396
Energy: 0.017027991990229217
Energy: 0.11789496345653101
Energy: 0.11801233780725652
Energy: 0.12024324194169607
Energy: 0.017724827046632273
Energy: 0.016221957282331834
Energy: 0.11772547792721305
Energy: 0.11809236485688518
Energy: 0.11902777675135229
Energy: 0.11882500175051393
Energy: 0.12122694626855711
Energy: 0.017598622390396952
Energy: 0.01621459661673572
Energy: 0.1195027007874101
Energy: 0.11961073464987682
Energy: 0.12108976308913452
Energy: 0.018434554135575067
Energy: 0.11786653309075759
Energy: 0.12105927206874197
Energy: 0.11887879001885769
Energy: 0.11965507699739807
Energy: 0.01674585188309646
Energy: 0.016185419304271392
Energy: 0.1217197850715489
Energy: 0.1181101245152398
Energy: 0.11990930536684949
Energy: 0.01749061695566362
Energy: 0.016388199478682777
Energy: 0.01619503332557339
Energy: 0.12167656108471582
Energy: 0.12037254468017212
Energy: 0.12039542633846737
Energy: 0.12221512749890183
Energy: 0.016345652031453384
Energy: 0.12203649610037241
Energy: 0.11905919318221893
Energy: 0.121346749134753
Energy: 0.12140832557041964

minimum gb energy = 0.01556267070573744 eV
minimum distance =  2.50314713039641 Angstroms
sigma value = 3


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

Energy: 1.179781837199885
Energy: 0.9455555368410626
Energy: 0.8658590230871643
Energy: 0.8391929648339099
Energy: 0.9231352591692111
Energy: 1.1421667731983236
Energy: 0.8375379801164657
Energy: 0.8658265731256912
Energy: 0.8665893425515033
Energy: 0.9424633793509641
Energy: 0.7420621255035597
Energy: 1.049396182002048
Energy: 0.8673651227835587
Energy: 0.771438070754499
Energy: 0.8858697124816338
Energy: 0.7846658027695022
Energy: 0.9176482619566169
Energy: 0.8652213582036379
Energy: 0.7697962820864382
Energy: 0.9289620421422952
Energy: 0.8339149774428583
Energy: 1.0247069777250766
Energy: 0.8395177366569863
Energy: 0.7852318817005512
Energy: 0.8715814569481911
Energy: 0.7855949308269069
Energy: 0.8377732913246412
Energy: 0.8384077593976056
Energy: 0.8777261480756079
Energy: 0.9182004379416006
Energy: 0.8776854506371938
Energy: 0.8430090413152926
Energy: 1.0717301116307145
Energy: 0.7856134842037066
Energy: 0.8287961965273546
Energy: 0.7897482836818963
Energy: 0.8691558759538709
Energy: 1.065453103492027
Energy: 0.8345713161881847
Energy: 0.9139149577738638
Energy: 1.0932013501138462
Energy: 0.9489546421464297
Energy: 0.9716463067044346
Energy: 0.8520636265379342
Energy: 0.8481859994819195
Energy: 1.0552648136677933
Energy: 0.9512127685225026
Energy: 0.9641815774623511
Energy: 0.9637509062701989
Energy: 0.8494508196230556
Energy: 0.9464548082120223
Energy: 0.9451042625073137
Energy: 0.9861344160133526
Energy: 0.8510871862406173
Energy: 1.0410271343353337
Energy: 0.9470608727517428
Energy: 0.947520589182984
Energy: 0.9064976878830385
Energy: 0.8742347976650633
Energy: 1.0370475991349875
Energy: 0.883362086487415
Energy: 0.9457485371388956
Energy: 0.956133127962968
Energy: 0.8756135452701336
Energy: 0.8857847518974136
Energy: 0.88694180845047
Energy: 0.9638242278161899
Energy: 1.0304923360639024
Energy: 0.8825939575652826
Energy: 0.8855890247548378
Energy: 0.8866238402468103
Energy: 0.8840506077662336
Energy: 0.9213276276382751
Energy: 0.6964650204330517
Energy: 0.8847674070400489
Energy: 0.8848963368929924
Energy: 0.8811413370736605
Energy: 0.9247387947974777
Energy: 1.083930936596291
Energy: 0.8835644147171179
Energy: 0.9631720061062169
Energy: 0.7869015371975304
Energy: 0.939170915425237
Energy: 1.0607414627994127
Energy: 0.8768902289700882
Energy: 0.9643227148551479
Energy: 0.7893458441226271
Energy: 0.7055933737371627
Energy: 1.0601573495700096
Energy: 0.9601855505870379
Energy: 1.0282855473501178
Energy: 0.8506575260807038
Energy: 0.8478768277213455
Energy: 0.8548247896953761
Energy: 0.939661946850168
Energy: 0.8575187171802096
Energy: 0.849989060273013
Energy: 0.8539558684196212
Energy: 0.7898931699615579
Energy: 0.855286664174917
Energy: 0.9636215485477492
Energy: 0.8499320269616101
Energy: 0.8515874911807273
Energy: 0.8708016283128935
Energy: 0.8537746860096461
Energy: 0.8322049307330637
Energy: 0.8536208548378342
Energy: 0.8512319543985962
Energy: 0.7889156063378256
Energy: 0.8855452278012854
Energy: 1.0421891907201015
Energy: 0.8757875430723665
Energy: 0.8627399463531984
Energy: 0.9611163838580216
Energy: 0.8770477611300145
Energy: 0.8546096062763298
Energy: 0.8505523538446047
Energy: 0.8840020185509684
Energy: 0.9591808868301007
Energy: 0.8896118931610779
Energy: 1.0420820309416798
Energy: 0.8487723164270576
Energy: 0.9676583797913313
Energy: 0.9493508686044089
Energy: 0.9454054661996377
Energy: 0.8548173849959231
Energy: 0.8505683548238514
Energy: 0.9681346544885706
Energy: 0.9507965179222871
Energy: 0.9451567199807774
Energy: 0.8515185653990516
Energy: 0.8834608577080213
Energy: 0.9605808442199786
Energy: 0.8829886920494637
Energy: 1.0560747692102024
Energy: 0.8545782361151258
Energy: 0.8784177652757894
Energy: 0.9594406490983032
Energy: 0.883975590651018
Energy: 1.0542378205988552
Energy: 1.144576300569471
Energy: 0.8816075471156881
Energy: 0.8835771927766954
Energy: 0.8832438160753083
Energy: 0.9214817702349057
Energy: 0.9187927906414806
Energy: 0.8814508795061803
Energy: 0.8834438790680739
Energy: 0.8840867272962514
Energy: 0.9216145060423608
Energy: 0.6979257690306072
Energy: 1.0578528998357994
Energy: 0.8814265795355317
Energy: 0.965908345683779
Energy: 0.8521611480217595
Energy: 0.6978303345193545
Energy: 0.8802821176967611
Energy: 0.8822929183143864
Energy: 0.7891305440630435
Energy: 0.8850951917739451
Energy: 0.8542878790017547
Energy: 0.8378532364280455
Energy: 0.8363778022029413
Energy: 0.8623099801678448
Energy: 0.8748219262546473
Energy: 0.854370803034304
Energy: 0.8364074196869941
Energy: 0.8360498875076642
Energy: 0.8527716333323994
Energy: 0.8729568172230434
Energy: 0.8566974000042636
Energy: 0.8373702328047206
Energy: 0.8699901089781672
Energy: 0.852052707037959
Energy: 0.730350122225717
Energy: 0.8507733085095509
Energy: 0.8325360511910594
Energy: 0.8682121095826648
Energy: 0.8529569740504929
Energy: 0.7301315962238515
Energy: 1.0525383623387121
Energy: 0.8964649320144197
Energy: 0.981967361133136
Energy: 0.9371970040577836
Energy: 0.853882372463064
Energy: 1.0630418628911096
Energy: 0.883382689081351
Energy: 0.9690686120887767
Energy: 0.8756025526310249
Energy: 0.8449049795367988
Energy: 0.9458373994952352
Energy: 0.9495477597056717
Energy: 0.9684680232228599
Energy: 0.8482331096333376
Energy: 0.9684519362662748
Energy: 0.9463930163055905
Energy: 0.9480353920324853
Energy: 0.9778331463644988
Energy: 0.8500109555200653
Energy: 0.9672944594458769
Energy: 0.8834897902584925
Energy: 0.960674584952921
Energy: 0.9982739723351396
Energy: 0.8633840454215084
Energy: 0.8902127000276189
Energy: 0.8880488518840939
Energy: 0.9609999671138463
Energy: 0.90605998808626
Energy: 0.8786310588629422
Energy: 0.8861544495992765
Energy: 0.9868468423756983
Energy: 0.8842128235803043
Energy: 0.6966410306624582
Energy: 0.7034915628351017
Energy: 0.884904728181931
Energy: 0.8857387491416747
Energy: 0.8813164600541975
Energy: 0.7005774071826362
Energy: 0.6965957652036392
Energy: 0.8836805857513399
Energy: 0.9609655461763837
Energy: 0.7868101031629592
Energy: 0.7061458328142465
Energy: 1.0029267193538873
Energy: 0.8367809210099506
Energy: 0.9616065858530749
Energy: 0.7877366558418798
Energy: 0.706417418533416
Energy: 0.8552334435173238
Energy: 0.8825931635395354
Energy: 0.8508519252106861
Energy: 0.8550595614379419
Energy: 0.8524821062064246
Energy: 0.7869885477469021
Energy: 0.868008149512165
Energy: 0.8506911208185017
Energy: 0.848733290960598
Energy: 0.8511090203649561
Energy: 0.785650354448042
Energy: 0.8787318437180699
Energy: 0.7673995061116373
Energy: 0.8492315973686094
Energy: 0.8493914379035756
Energy: 0.790786252727056
Energy: 0.921894740513751
Energy: 0.8589248586885687
Energy: 0.8457212453334734
Energy: 0.8487962695760028
Energy: 0.8494635778954871
Energy: 0.8752948119882173
Energy: 1.0633009437928709
Energy: 0.8856687955711918
Energy: 0.9137253224515797
Energy: 0.9197270073423368
Energy: 0.8590319902556988
Energy: 0.7905138415034882
Energy: 0.7859987742296608
Energy: 0.8748600653952768
Energy: 0.9731509432124231
Energy: 0.8619081344721402
Energy: 1.0607084964618927
Energy: 0.851425721425698
Energy: 0.9392396541312072
Energy: 0.9481588842760471
Energy: 0.9459557610351994
Energy: 0.7890377347762931
Energy: 0.7899300398803261
Energy: 0.9051706011749393
Energy: 0.9506282134110737
Energy: 0.9458631215305657
Energy: 0.8667499044598348
Energy: 0.7894183131305719
Energy: 0.9444515910446402
Energy: 0.8402507261877563
Energy: 1.020058491347842
Energy: 0.784877012229843
Energy: 0.8352709876725647
Energy: 0.945859385380717
Energy: 0.8842943532648123
Energy: 0.9596121573801181
Energy: 1.1828458717139576
Energy: 0.8390718987529514
Energy: 0.8675165272764426
Energy: 0.8391887338329339
Energy: 0.9216420462555791
Energy: 0.9187967240949556
Energy: 0.8374155054413633
Energy: 0.8674939167630082
Energy: 0.8656555228809514
Energy: 0.9463789260418146

minimum gb energy = 0.6964650204330517 eV
minimum distance =  2.25147397678034 Angstroms
sigma value = 75


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

Energy: 1.6825504864159009
Energy: 1.0561107951557258
Energy: 0.9100494114529426
Energy: 0.9175307782943424
Energy: 1.0643295311087306
Energy: 0.8984019425816558
Energy: 1.0262555122594286
Energy: 0.9367175354731673
Energy: 0.9187796877471082
Energy: 1.0558916484027185
Energy: 0.9215581898497164
Energy: 0.954645091398125
Energy: 0.9361603699831573
Energy: 0.9178371877621068
Energy: 0.9391439333137691
Energy: 0.9645590384361384
Energy: 0.9478697008791895
Energy: 0.9264101432891401
Energy: 0.9583025665688261
Energy: 0.9671614669899752
Energy: 1.014606067105535
Energy: 1.123301116112709
Energy: 0.9085047012635332
Energy: 0.910590185351693
Energy: 0.9553225102116323
Energy: 0.9534638078592851
Energy: 0.9859293776869474
Energy: 0.9537687243690274
Energy: 0.981094063705846
Energy: 0.9089715635003329
Energy: 0.9963861881606225
Energy: 0.9585384973966731
Energy: 0.979258492725439
Energy: 0.9238749534106618
Energy: 1.0026227970242714
Energy: 0.9782319646296891
Energy: 0.9778437098124471
Energy: 0.9717675562872534
Energy: 0.9682447503598074
Energy: 0.9580185989818681
Energy: 0.9766587884928545
Energy: 0.9106719688433252
Energy: 1.0987472638049534
Energy: 0.979058123653108
Energy: 0.918691291515028
Energy: 0.9888193005144978
Energy: 0.9248706753048235
Energy: 1.0986200358941771
Energy: 0.9448192857633896
Energy: 0.9361561224647472
Energy: 0.9210241154593811
Energy: 0.944173962019217
Energy: 1.1009996089993779
Energy: 0.9495322754921497
Energy: 0.9515952062560892
Energy: 0.9105736333355802
Energy: 0.9087858632112708
Energy: 0.9185840074017106
Energy: 0.9636490731986203
Energy: 0.9657754935498354
Energy: 0.9845344990103747
Energy: 0.9499170887696008
Energy: 0.939116842391112
Energy: 0.893218047031458
Energy: 0.9424839849008795
Energy: 0.9571291601595664
Energy: 0.9450568137416905
Energy: 0.955546507499377
Energy: 0.9471623150415877
Energy: 0.9485243396098711
Energy: 0.9852183908846918
Energy: 1.0181139796294019
Energy: 1.1109924267869444
Energy: 1.122060540258318
Energy: 0.9403984303089957
Energy: 0.8889741045637435
Energy: 1.0333479058759343
Energy: 1.1111048678310653
Energy: 1.1219711662295575
Energy: 0.9828623087446839
Energy: 0.9504390904464023
Energy: 0.9558510789470733
Energy: 0.9097988605924454
Energy: 0.9351639771344142
Energy: 0.9726172224171803
Energy: 0.9561587126537089
Energy: 0.9681990823247076
Energy: 0.9243178713694072
Energy: 0.9526124443061599
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Energy: 0.9412970329523898
Energy: 0.9492521423658994
Energy: 0.9175068370154631
Energy: 1.1040783703944652
Energy: 0.9736073760154804
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Energy: 0.9417393333322873
Energy: 0.9250832040285696
Energy: 1.0936580798954463
Energy: 0.9575244052168433
Energy: 0.9583426899511875
Energy: 0.9316723718965135
Energy: 0.9132033214463288
Energy: 0.9387993253996768
Energy: 0.9516379481740457
Energy: 0.9384586716776306
Energy: 0.9293320916562345
Energy: 0.9296902940007826
Energy: 0.9348046308859197
Energy: 0.9615773162533682
Energy: 0.9809079918663307
Energy: 0.930715733982797
Energy: 1.0123361674359312
Energy: 0.9625779343621961
Energy: 0.9487045103921706
Energy: 0.9519774976123081
Energy: 0.9299697407168139
Energy: 1.0246930491172153
Energy: 0.9279134345681455
Energy: 0.9707586782250867
Energy: 0.9860318743623712
Energy: 1.0051410622065122
Energy: 0.9749517244181353
Energy: 0.9069969321792584
Energy: 1.0322297061173316
Energy: 0.9007457623889197
Energy: 0.9196546430024566
Energy: 0.9889484948360651
Energy: 0.9072119404130394
Energy: 0.9397452282167599
Energy: 0.9419330262458149
Energy: 0.9415107266077236
Energy: 0.9507827417362358
Energy: 0.9511966961423988
Energy: 0.9798003859932015
Energy: 0.8983106708976287
Energy: 0.9054112379122329
Energy: 0.9591243900212848
Energy: 0.9150951103354962
Energy: 0.9346562254944911
Energy: 0.9639629967805985
Energy: 0.9368486594259002
Energy: 0.919330021041257
Energy: 0.9300413913975146
Energy: 1.0898989511031478
Energy: 0.9688671713339316
Energy: 0.9322723509080598
Energy: 0.9206722101606923
Energy: 0.9242370035999007
Energy: 1.0752342695515917
Energy: 0.993590855566568
Energy: 0.9750850739552845
Energy: 0.9080496385341879
Energy: 0.9170711860090739
Energy: 0.9380466971370871
Energy: 1.1347737012688106
Energy: 0.9469732857394394
Energy: 0.906437261534517
Energy: 0.9105164696196726
Energy: 0.9270464256341546
Energy: 0.9675858920255553
Energy: 0.9339754295415407
Energy: 0.9512989094616423
Energy: 1.0191119905787367
Energy: 0.922366824838383
Energy: 0.9757110567814451
Energy: 0.9186195146988071
Energy: 0.8892317910611439
Energy: 0.9051679292992751
Energy: 0.9024535315605108
Energy: 0.9605509222906733
Energy: 0.9791246631198218
Energy: 1.0101165775215457
Energy: 1.0304588078367116
Energy: 0.9066911925185965
Energy: 0.9684026148812488
Energy: 0.9763243271896066
Energy: 0.9630401975466978
Energy: 0.9578522805636641
Energy: 0.9758721923612496
Energy: 0.9008906179383278
Energy: 0.9584818084737036
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minimum gb energy = 0.8800944650682815 eV
minimum distance =  2.27614177880031 Angstroms
sigma value = 105


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

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Energy: 0.9312653997965441
Energy: 0.93446176426872
Energy: 0.9555351202420687
Energy: 0.9931433945591968
Energy: 0.9324893591104711
Energy: 0.9319340391981661
Energy: 0.9340669734880179
Energy: 0.9650972357527011
Energy: 0.9919286023598486
Energy: 0.9324425609835976
Energy: 1.0237129566338328
Energy: 0.9333009220800667
Energy: 0.930890657166484
Energy: 1.0233573160575649
Energy: 0.9838454300061643
Energy: 1.023751015851219
Energy: 0.9571131620944268
Energy: 0.9310584567366247
Energy: 1.02341187342186
Energy: 1.125817685209956
Energy: 0.9749888739930282
Energy: 0.9684887006870896
Energy: 0.9683598911164641
Energy: 0.9597813447414286
Energy: 0.9829797546481547
Energy: 0.9718862501984401
Energy: 0.9487368446711897
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Energy: 0.9559380166595082
Energy: 0.9857396207959124
Energy: 0.9868100053392049
Energy: 0.9797203511395657
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Energy: 0.9664915688264413
Energy: 1.0358788489339852
Energy: 0.9857924452452532
Energy: 0.9744175615964216
Energy: 0.9696130410242032
Energy: 0.9649004483366944
Energy: 0.9853797974030868
Energy: 0.97556643935913
Energy: 0.977920424600443
Energy: 0.9454252473898325
Energy: 0.9373788605395292
Energy: 1.010320269981883
Energy: 0.9757684697978612
Energy: 0.963711729256089
Energy: 0.9596570272276927
Energy: 0.9310375883700481
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Energy: 0.9889595512523208
Energy: 0.982078875224802
Energy: 0.9537157869338935
Energy: 0.9828985899777316
Energy: 0.9281729438055883
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Energy: 0.9787164812979674
Energy: 0.948417840817792
Energy: 0.9829028752246908
Energy: 1.0980574069336075
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Energy: 0.9889345696088686
Energy: 0.9682899319202887
Energy: 0.9922313359537742
Energy: 0.9927637758804726
Energy: 0.9919478297492802
Energy: 0.9829369392211807
Energy: 0.9679842608373196
Energy: 0.9925687428805905
Energy: 0.9904140538749993
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Energy: 0.9300267674716938
Energy: 1.0065018445583154
Energy: 1.0061465136517935
Energy: 0.9891642541319139
Energy: 0.9798713688141412
Energy: 0.9310188365829203
Energy: 0.9816279296909931
Energy: 0.9921706342093073
Energy: 0.9827752468916698
Energy: 0.9851137450691074
Energy: 0.9577017473133621
Energy: 1.0273803509671349
Energy: 1.0073456699079641
Energy: 0.9837140990006359
Energy: 0.9854278363606852
Energy: 0.9585210998390716
Energy: 1.0514943155140715
Energy: 0.9432754636802009
Energy: 1.0347084591027522
Energy: 1.0082103221525227
Energy: 1.035819408582949
Energy: 1.0307028900769724
Energy: 0.9250092357075402
Energy: 1.0405203919290655
Energy: 1.010067544311699
Energy: 1.0227638349024484
Energy: 1.022522830505681
Energy: 0.997348906637038
Energy: 0.9433914985750224
Energy: 0.9550803968414556
Energy: 0.9971491151141098
Energy: 0.9914289195861483
Energy: 0.9269054230168262
Energy: 0.938131080846609
Energy: 0.9579667157227495
Energy: 0.9969428641760878
Energy: 0.9932255048020373
Energy: 0.9473007100239821
Energy: 0.9314685556777851
Energy: 0.932314491297204
Energy: 0.9314458387108381
Energy: 0.9921158687574413
Energy: 1.0118815894078492
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Energy: 0.9320799975889313
Energy: 0.9314673403306502
Energy: 0.9920257857623684
Energy: 1.0118657601176528
Energy: 0.931822754405616
Energy: 0.9501312292642852
Energy: 0.9351690200894565
Energy: 0.9020875661225115
Energy: 0.9985151766960652
Energy: 0.9320237142181821
Energy: 0.9516853531522957
Energy: 0.9344407817634657
Energy: 0.9024637871857875
Energy: 0.9997783216463028
Energy: 0.9972001555594528
Energy: 0.9492945937443592
Energy: 0.9692707578819022
Energy: 0.918205038145639
Energy: 1.0454774514365457
Energy: 0.9292652478732774
Energy: 0.9494741508016074
Energy: 0.9902173224322279
Energy: 0.930814350617943
Energy: 1.046818984499768
Energy: 0.9971895204480441
Energy: 0.9343944983574649
Energy: 1.025673315882358
Energy: 1.0247155262354761
Energy: 0.9843231820437363
Energy: 0.9642406525811248
Energy: 1.0315368952863961
Energy: 1.0336442431832071
Energy: 1.0273085489442273
Energy: 0.9769168174575221
Energy: 0.9978103564746346
Energy: 0.9352426681896536
Energy: 0.9165371311769832
Energy: 0.984570205221472
Energy: 0.9889096599109882
Energy: 0.99820151596203
Energy: 0.9365625532185525
Energy: 0.9165363271405987
Energy: 0.9793410285503766
Energy: 0.9534657985811111
Energy: 0.9532206007890528
Energy: 0.9320203943031131
Energy: 0.9253661651210969
Energy: 0.9388564497746447
Energy: 0.9933540758124807
Energy: 0.9481235233190283
Energy: 0.9319089803936088
Energy: 0.9250484411644887
Energy: 0.9387675693609416
Energy: 1.0132403859496855
Energy: 0.9846271681175465
Energy: 0.9379257122711978
Energy: 0.9335050426145955
Energy: 0.9355465485989275
Energy: 0.9362953459129482
Energy: 0.9842585566953348
Energy: 0.9258213135632117
Energy: 0.9339463589277468
Energy: 0.9366780143117021
Energy: 0.9659043180068001
Energy: 1.0247486569150053
Energy: 0.962968498593168
Energy: 1.033803147001229
Energy: 0.9882530500976954
Energy: 0.9755775810212268
Energy: 1.0076254458487144
Energy: 0.9467629424560843
Energy: 0.9621198793345962
Energy: 0.9917290925986432
Energy: 0.9979680768493326
Energy: 0.9490810680877122
Energy: 0.9840850464551225
Energy: 0.9796058884620805
Energy: 0.9144476652137911
Energy: 1.0278198581918532
Energy: 0.9318108381655614
Energy: 0.9841897807005895
Energy: 0.9793566528766662
Energy: 0.915253548829301
Energy: 1.0294884075983652
Energy: 0.9895645167641168
Energy: 0.9847074714704139
Energy: 0.9843114451966354
Energy: 0.9349292028199377
Energy: 1.004403801640338
Energy: 0.9049395393070451
Energy: 0.984414088942119
Energy: 0.9839503656980028
Energy: 0.933910322437911
Energy: 1.0114112021457216
Energy: 0.9915256959061841
Energy: 0.9652053103379081
Energy: 0.9785168273465134
Energy: 0.9483677076082201
Energy: 1.0175928123086826
Energy: 1.004176114591539
Energy: 0.9681244457523924
Energy: 0.9784389233192456
Energy: 0.9585901888553918
Energy: 1.026879203987371
Energy: 1.012302415859195
Energy: 0.983803726954889
Energy: 0.9777501261504649
Energy: 0.9753018254534779
Energy: 0.9844683520329667
Energy: 0.9970050386129424
Energy: 0.9837999544195521
Energy: 0.9480525437177387
Energy: 0.979587908569478
Energy: 1.001563121661805
Energy: 0.9960223505730251
Energy: 0.9933477062851579
Energy: 0.9931254072030792
Energy: 0.9851977089812644
Energy: 0.9869918064920323
Energy: 0.9759465517725727
Energy: 0.9889197686063292
Energy: 0.9836996249273422
Energy: 0.9701479765315578
Energy: 0.9489708152220743
Energy: 1.0209637122572979
Energy: 0.9290961288835923
Energy: 0.9879579295203459
Energy: 0.9767093118005468
Energy: 0.9158623487847747
Energy: 0.9852178213512977
Energy: 0.9084882088605903
Energy: 0.9847134684114678
Energy: 0.9751999365091216
Energy: 0.9317351111383536
Energy: 0.9945563222759194
Energy: 0.9300791952241928
Energy: 0.9921147756482648
Energy: 0.9815127581190963
Energy: 0.9159646462128076
Energy: 0.9944554155925462
Energy: 0.9304802039086056
Energy: 0.9819876998467
Energy: 0.981855954485568
Energy: 0.9772054462041846
Energy: 1.0319137970454006
Energy: 0.9909934682990601
Energy: 1.0079655236338612
Energy: 1.0245497361729103
Energy: 1.0418698419254915
Energy: 0.9363641608175028
Energy: 0.9913344970041555
Energy: 1.0288324062634717
Energy: 0.9872696536900623
Energy: 1.0425427225857942
Energy: 0.983824275932928
Energy: 0.9380002531274108
Energy: 0.9291953276445905
Energy: 0.9166600532501421
Energy: 0.9814517280182807
Energy: 0.9160680095419074
Energy: 0.9485044831490046
Energy: 0.9366329421719126
Energy: 0.919724180741984
Energy: 1.003877666452218
Energy: 0.9444878180646051
Energy: 0.9166172290651226
Energy: 0.9272095180037899
Energy: 0.925202323595583
Energy: 0.916272825776208
Energy: 0.9122923890055362
Energy: 0.9159431928951787
Energy: 0.9213730644284435
Energy: 0.9171688432918715
Energy: 1.0017165890319915

minimum gb energy = 0.9020875661225115 eV
minimum distance =  2.29362793668152 Angstroms
sigma value = 165


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

Energy: 1.1741142914626013
Energy: 0.8729417029136187
Energy: 0.8823564880904342
Energy: 0.9353224734031783
Energy: 0.8728519953817935
Energy: 1.1742001215983122
Energy: 0.8839588218228904
Energy: 0.8823487285335453
Energy: 0.9341609204683042
Energy: 0.873215687951016
Energy: 0.8736037661278685
Energy: 0.926807560595821
Energy: 0.9373294525992667
Energy: 0.9284516691335494
Energy: 0.9291464037702574
Energy: 0.9257147940561644
Energy: 0.9261603398183738
Energy: 0.9364200067217953
Energy: 0.929671792610678
Energy: 0.979047620884679
Energy: 0.9346159831997333
Energy: 0.9816606236702945
Energy: 0.8827273383751117
Energy: 0.9361828456766961
Energy: 0.971274672260351
Energy: 0.9340036887325525
Energy: 0.8847638802935776
Energy: 0.9353892403528387
Energy: 0.9352787398248702
Energy: 0.9759804161216811
Energy: 0.947898785459672
Energy: 0.9333137331532306
Energy: 0.935563340554046
Energy: 0.8840091233452366
Energy: 0.873234734999389
Energy: 0.9356833065086426
Energy: 0.9354506554623435
Energy: 0.9340111673024097
Energy: 0.8843211441943245
Energy: 0.975372216171906
Energy: 0.9253077663265543
Energy: 0.9348414654439411
Energy: 0.9273804665043281
Energy: 0.9240097125274117
Energy: 0.9254225285208051
Energy: 0.935423031084234
Energy: 0.9348395152094737
Energy: 0.9269741289252401
Energy: 0.9250691554444169
Energy: 0.9261077870551448
Energy: 1.0014295533697672
Energy: 0.9308062150967599
Energy: 0.8842211399284684
Energy: 0.8774172183140698
Energy: 0.889019691473266
Energy: 1.0020624571394965
Energy: 0.9313049780648536
Energy: 0.8832446789614357
Energy: 0.875713365734034
Energy: 0.8882749775200801
Energy: 0.9237034905326125
Energy: 0.9251473110030269
Energy: 0.9276656971075959
Energy: 0.8823069517592601
Energy: 0.9352353642941176
Energy: 0.9814575880430323
Energy: 0.9347546350494307
Energy: 0.9271719609698451
Energy: 0.8828311564042096
Energy: 0.9358081575751663
Energy: 0.9687848149987994
Energy: 0.9252754255779635
Energy: 0.9245924708606919
Energy: 0.9245290600845487
Energy: 0.9263965901257848
Energy: 0.880075048301426
Energy: 0.924665659989503
Energy: 0.8869856065558009
Energy: 0.9253276353827616
Energy: 0.8713548196509684
Energy: 0.881655606138541
Energy: 0.9260749060617101
Energy: 0.8839387378713923
Energy: 0.9246994074238937
Energy: 0.9266946320862217
Energy: 0.8826492258325227
Energy: 0.8878737146459037
Energy: 0.8841499356209787
Energy: 0.9248681717917544
Energy: 0.9635840723434629
Energy: 0.9799069586282877
Energy: 0.9340058062366484
Energy: 0.9377609667508122
Energy: 0.9357729350971381
Energy: 0.9247431376644812
Energy: 0.9785683198278189
Energy: 0.9341997642486448
Energy: 0.9350046909630935
Energy: 0.9375749954606309
Energy: 0.9263158246561002
Energy: 0.9632968188030085
Energy: 0.9335158466555995
Energy: 0.9347122723071538
Energy: 0.9340753749130065
Energy: 0.9733948126240853
Energy: 0.9347398289839898
Energy: 0.9333592277806173
Energy: 0.9356643744426232
Energy: 0.9343982261375161
Energy: 0.8747738278101634
Energy: 0.9370131116123006
Energy: 0.9293828584837603
Energy: 0.9367029417175878
Energy: 0.9343441179914703
Energy: 0.9367881922102437
Energy: 0.9356862721340609
Energy: 0.9273868804766002
Energy: 0.9358247202647654
Energy: 0.9336132314795794
Energy: 0.9384585853696682
Energy: 1.0223965396051242
Energy: 0.9750815687430952
Energy: 0.888044371995444
Energy: 0.9259797672980904
Energy: 0.8823435247833467
Energy: 0.8777866958871278
Energy: 0.9314269722382021
Energy: 0.9258401535072363
Energy: 0.9264976786965666
Energy: 0.8825313731433959
Energy: 0.9290989615909172
Energy: 0.9268469599492901
Energy: 0.9232871904114847
Energy: 0.8708814600993943
Energy: 0.9254705278803392
Energy: 0.9802872754929213
Energy: 0.9324030003503285
Energy: 0.8883149160646894
Energy: 0.8734643245233307
Energy: 0.9250469547193184
Energy: 0.8730438127496967
Energy: 0.9280685877871885
Energy: 0.9349309790483251
Energy: 0.8838616477778387
Energy: 0.9268233927611405
Energy: 0.9264680101935073
Energy: 0.9299647811166096
Energy: 0.9343916346919342
Energy: 0.8841323396528805
Energy: 0.925454162932988

minimum gb energy = 0.8708814600993943 eV
minimum distance =  2.28834481085921 Angstroms
sigma value = 41


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

Energy: 1.7571186274586716
Energy: 0.8132349443528288
Energy: 0.8061152668930628
Energy: 0.7969654567314407
Energy: 0.8146163604248418
Energy: 0.8251450306026246
Energy: 0.8268115861342958
Energy: 0.8127322974330209
Energy: 0.8324273275272241
Energy: 0.796933416076462
Energy: 0.8696847779946373
Energy: 0.8265410461501194
Energy: 0.8064091905530477
Energy: 0.8050105202409117
Energy: 0.8039653769215902
Energy: 0.8735746827789304
Energy: 0.8030190441289333
Energy: 0.8179459467431706
Energy: 0.8171698262212416
Energy: 0.8737011927136229
Energy: 0.8233097207419665
Energy: 0.8565564472243777
Energy: 0.8616640694173912
Energy: 0.834605814135128
Energy: 0.8375654812795083
Energy: 0.8368766615976951
Energy: 0.857830480939927
Energy: 0.8666860392269496
Energy: 0.8473261240322865
Energy: 0.8721180824445874
Energy: 0.8592834296042592
Energy: 0.8097204005648697
Energy: 0.8473833121025223
Energy: 0.8477803085900097
Energy: 0.8539528695969681
Energy: 0.8646917655438883
Energy: 0.8185757905709284
Energy: 0.8265919159267477
Energy: 0.8674621197648557
Energy: 0.9235640802897325
Energy: 0.8702400966491745
Energy: 0.8454094767180781
Energy: 0.8484599353692285
Energy: 0.8581973274095966
Energy: 0.869345362164804
Energy: 0.8195868296468597
Energy: 0.8441719379532475
Energy: 0.8259972881964188
Energy: 0.8260645292681877
Energy: 0.8996623442589733
Energy: 0.8941182676117405
Energy: 0.8495296911516245
Energy: 0.8659889077118667
Energy: 0.8180392791108708
Energy: 0.8495531775282671
Energy: 0.8938275781825402
Energy: 0.8142739582582927
Energy: 0.878930663186647
Energy: 0.8011956226406168
Energy: 0.8819156283178209
Energy: 0.8799463621830514
Energy: 0.8732182825699436
Energy: 0.848012420682841
Energy: 0.835729075409829
Energy: 0.8657989312211041
Energy: 0.8755770095922693
Energy: 0.8565207638891374
Energy: 0.8496998526940753
Energy: 0.8367002199548235
Energy: 0.8659240438291274
Energy: 0.8101120392969527
Energy: 0.8418768785020868
Energy: 0.8470175881210009
Energy: 0.8351790966351673
Energy: 0.8386993477839553
Energy: 0.8122536693658757
Energy: 0.8426011640060603
Energy: 0.8467204972248121
Energy: 0.8191612496150233
Energy: 0.8559685972491715
Energy: 0.8134143886398862
Energy: 0.8506111256151008
Energy: 0.8263346984175414
Energy: 0.8539471766324804
Energy: 0.8434774846945404
Energy: 0.8100527041447829
Energy: 0.8443980662802497
Energy: 0.8209872268114792
Energy: 0.8597024026033471
Energy: 0.8421673754793416
Energy: 0.8285532688839846
Energy: 0.8179939771403009
Energy: 0.8184689022462789
Energy: 0.8395364836574527
Energy: 0.8362729746254632
Energy: 0.8719247515465183
Energy: 0.825703994400039
Energy: 0.8254241114960429
Energy: 0.8374363737242917
Energy: 0.8958521822571262
Energy: 0.7967264389781537
Energy: 0.8096467895496623
Energy: 0.8413344110648994
Energy: 0.8405918248962533
Energy: 0.8117563722308324
Energy: 0.7957544729781316
Energy: 0.8099981977288314
Energy: 0.8076002217416404
Energy: 0.8621658599526714
Energy: 0.9399975266202942
Energy: 0.8229680184524449
Energy: 0.8123374517432665
Energy: 0.8483392629929992
Energy: 0.8263163195471779
Energy: 0.8838242048782476
Energy: 0.824017687029576
Energy: 0.8125830434124186
Energy: 0.8502350302726339
Energy: 0.8261968509640479
Energy: 0.8847661251311643
Energy: 0.8010041176782433
Energy: 0.8175585688798116
Energy: 0.8150762980676007
Energy: 0.8622359634617499
Energy: 0.8363205513399872
Energy: 0.8003246865957004
Energy: 0.8171497558785716
Energy: 0.8102568789415036
Energy: 0.8571259001878327
Energy: 0.8053483221573372
Energy: 0.831045807244334
Energy: 0.8201687675348901
Energy: 0.8029569953967907
Energy: 0.8017646097763553
Energy: 0.8766319835641823
Energy: 0.8319467167201969
Energy: 0.8204575227103972
Energy: 0.8171584953400056
Energy: 0.8017674073007192
Energy: 0.8771236395008404
Energy: 0.8468036170750244
Energy: 0.8227455335363132
Energy: 0.8039993573996049
Energy: 0.8681245762595912
Energy: 0.8441949758881567
Energy: 0.8001120409266157
Energy: 0.8239291447404923
Energy: 0.8009917727768264
Energy: 0.8630656777007768
Energy: 0.8452428018296527
Energy: 0.9528488624865621
Energy: 0.8518571680894865
Energy: 0.8386762329474224
Energy: 0.8397336300974252
Energy: 0.8522010440082813
Energy: 0.954443384639881
Energy: 0.8721856046173484
Energy: 0.8377346950010802
Energy: 0.8393546931570189
Energy: 0.8519577970940164
Energy: 0.8445438509893456
Energy: 0.8479094517707265
Energy: 0.8379806278929689
Energy: 0.8375856594112823
Energy: 0.8498216110059893
Energy: 0.8442773340331517
Energy: 0.8479552594730009
Energy: 0.8365028197113847
Energy: 0.8444119460742875
Energy: 0.852186977076074
Energy: 0.8484189016080321
Energy: 0.8483127919964739
Energy: 0.8991965551525352
Energy: 0.8414004564303368
Energy: 0.8409227567967749
Energy: 0.8489506724617424
Energy: 0.8491931032078058
Energy: 0.8668902583624821
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Energy: 0.8406348449367375
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Energy: 0.878727696862551
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Energy: 0.7962999699236338
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Energy: 0.8178010029490135
Energy: 0.8509539893216402
Energy: 0.8510970054272928
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Energy: 0.8457789934546716
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Energy: 0.8369072051062003
Energy: 0.8320107204935143
Energy: 0.8440812214507579
Energy: 0.8475643692877555
Energy: 0.8535791043716968
Energy: 0.8411226159533738
Energy: 0.8378525082873591
Energy: 0.8448153551306872
Energy: 0.8700579796013196
Energy: 0.7909179556757235
Energy: 0.7931198744882272
Energy: 0.8127860101496631
Energy: 0.822260723678269
Energy: 0.8641576704576795
Energy: 0.8163905315736146
Energy: 0.8155347344735677
Energy: 0.7962465332007582
Energy: 0.7961220398557854
Energy: 0.816420808280153
Energy: 0.8228914796317093
Energy: 0.8023577280801604
Energy: 0.8067078700436453
Energy: 0.7967228583143948
Energy: 0.817438150723452
Energy: 0.816528510941719
Energy: 0.8229817606252434
Energy: 0.823440710742506
Energy: 0.8054378052983449
Energy: 0.8661266802175155
Energy: 0.8048220076502565
Energy: 0.8200520039028126
Energy: 0.8027696343152962
Energy: 0.8175607360116773
Energy: 0.8620656301993563
Energy: 0.8180266915149002
Energy: 0.818216484453714
Energy: 0.8150911617522805
Energy: 0.8712339112996939
Energy: 0.8172408105798823
Energy: 0.8437296216749485
Energy: 0.8154995555392064
Energy: 0.8095284143495642
Energy: 0.8653558211720764
Energy: 0.7965676889492969
Energy: 0.8050604146341381
Energy: 0.8039543327787575
Energy: 0.8408834662254495

minimum gb energy = 0.7909179556757235 eV
minimum distance =  2.30900131560471 Angstroms
sigma value = 185


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

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Energy: 0.6420581687993284
Energy: 0.7030504484261417
Energy: 0.5946760888360539
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Energy: 0.5522651862942897
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Energy: 0.4506142237479959
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Energy: 0.7232642442579835
Energy: 0.6665299327547671
Energy: 0.5126527378966977
Energy: 0.4050073263352913
Energy: 0.517446056206417
Energy: 0.5576268428506111
Energy: 0.5022392418072976
Energy: 0.5698142592002694
Energy: 0.5653982576302785
Energy: 0.5023156764747775
Energy: 0.6669326375532504
Energy: 0.6690007278468185
Energy: 0.4479760056525056
Energy: 0.6638949719422451
Energy: 0.6780072018756258
Energy: 0.6957344635952546
Energy: 0.6988203899730149
Energy: 0.5253919465381569
Energy: 0.6803800875339372
Energy: 0.5771692279120191
Energy: 0.6408247146133765
Energy: 0.4379373614824338
Energy: 0.41925587887503174
Energy: 0.6705600757575109
Energy: 0.7061082771734122
Energy: 0.7012838483303533
Energy: 0.5276693184004685
Energy: 0.5326731814211997
Energy: 0.6044833554434064
Energy: 0.5996976592098358
Energy: 0.5252132454885949
Energy: 0.5783951159140471
Energy: 0.6814437953736961
Energy: 0.6699351856054157
Energy: 0.509476612059441
Energy: 0.5028013379859525
Energy: 0.6209286039539637
Energy: 0.5016621484914019
Energy: 0.6924570671273902
Energy: 0.7293546498368765
Energy: 0.6004056396858382
Energy: 0.646762073480766
Energy: 0.5270374222780287
Energy: 0.6718452224843783
Energy: 0.6747842474290499
Energy: 0.5039832701471879
Energy: 0.42014365480021404
Energy: 0.5936696709131023
Energy: 0.5723572204462343
Energy: 0.5881340096298723
Energy: 0.643466654592518

minimum gb energy = 0.4050073263352913 eV
minimum distance =  2.38352871496172 Angstroms
sigma value = 33


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

Energy: 0.803231492161162
Energy: 0.7446232529839759
Energy: 0.7859857962622631
Energy: 0.746634119976783
Energy: 0.7287043625460324
Energy: 0.7259588517618828
Energy: 0.7320327089255576
Energy: 0.765584869230152
Energy: 0.7743646854286461
Energy: 0.7677120216990534
Energy: 0.7428437094763026
Energy: 0.782475074894721
Energy: 0.7600549422571913
Energy: 0.7462820644337739
Energy: 0.7449356358352397
Energy: 0.7312756222488351
Energy: 0.7688671201333412
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Energy: 0.7441162909343351
Energy: 0.7811432117065575
Energy: 0.7516129875748087
Energy: 0.7470793280328888
Energy: 0.7464998843872154
Energy: 0.7666113988394491
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Energy: 0.7265041150128771
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Energy: 0.781092348550553
Energy: 0.7385187777703327
Energy: 0.8205115629104374
Energy: 0.779393663505423
Energy: 0.7612356656839393
Energy: 0.7433583340234401
Energy: 0.7453322278475575
Energy: 0.7798407207504466
Energy: 0.7709407591629114
Energy: 0.7882948099011104
Energy: 0.8048623691516418
Energy: 0.744551194228069
Energy: 0.758118437194479
Energy: 0.7607775609110337
Energy: 0.769915840256736
Energy: 0.7552345663401449
Energy: 0.7638906287875742
Energy: 0.7660000647880308
Energy: 0.7793915314146536
Energy: 0.7707964762345447
Energy: 0.7559149863472313
Energy: 0.78258500636589
Energy: 0.7622861430436961
Energy: 0.7581094920361752
Energy: 0.7870743059023976
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Energy: 0.7657778580292732
Energy: 0.76135650858021
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Energy: 0.8088088556690084
Energy: 0.7538719276730301
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Energy: 0.7574298455085245
Energy: 0.7735963059352808
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Energy: 0.7643133769747981
Energy: 0.7526246971960416
Energy: 0.7676219516166212
Energy: 0.755373026991326
Energy: 0.7558260268119906
Energy: 0.7660581792805745
Energy: 0.7522477157338103
Energy: 0.7730739153660727
Energy: 0.755751653202229
Energy: 0.7555286246542169
Energy: 0.7540558007823985
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Energy: 0.7554420075794758
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Energy: 0.740604711962536
Energy: 0.8014426323617906
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Energy: 0.7555606602178794
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Energy: 0.739976237555369
Energy: 0.8264868986656929
Energy: 0.7822312907037554
Energy: 0.7496141628162678
Energy: 0.7497029023646897
Energy: 0.752967864339925
Energy: 0.7517763357610171
Energy: 0.7923887048671527
Energy: 0.7558980832454459
Energy: 0.7550837032389436
Energy: 0.740669305244308
Energy: 0.7516530434505063
Energy: 0.751325058983713
Energy: 0.7505037985576452
Energy: 0.742990753673718
Energy: 0.7620906288117751
Energy: 0.7568862232460717
Energy: 0.7886555783353063
Energy: 0.818661497944345
Energy: 0.7680259147864855
Energy: 0.7605901645832123
Energy: 0.7278896325507608
Energy: 0.798132006177494
Energy: 0.8194303947782162
Energy: 0.7686910300923693
Energy: 0.7750464831188816
Energy: 0.7535844975677324
Energy: 0.7545480154079147
Energy: 0.753220087718354
Energy: 0.7404353605102822
Energy: 0.7637978219121243
Energy: 0.8157095526336053
Energy: 0.7490242057096237
Energy: 0.7499286020801251
Energy: 0.7732421839506477
Energy: 0.751550197819468
Energy: 0.7712898263350279
Energy: 0.7693578853678754
Energy: 0.7322113800782444
Energy: 0.732984261411786
Energy: 0.7254368884945973
Energy: 0.7904065002685554
Energy: 0.7495874236114081
Energy: 0.7493330380529033
Energy: 0.8288750125945418
Energy: 0.7526157955151491
Energy: 0.7729616446618113
Energy: 0.7456117121657402
Energy: 0.7259019460380806
Energy: 0.7242541318128924
Energy: 0.7325088128466616
Energy: 0.7597834216676725
Energy: 0.7786573637013642
Energy: 0.7697733390358339

minimum gb energy = 0.7242541318128924 eV
minimum distance =  2.27844197951721 Angstroms
sigma value = 219


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

Energy: 1.37184829602248
Energy: 0.986660584926075
Energy: 0.9773639095029227
Energy: 0.9682966219408007
Energy: 0.9652146022597438
Energy: 0.9613075980988054
Energy: 0.9837857657320919
Energy: 0.9939430414333879
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Energy: 0.966693027529165
Energy: 0.952611748608403
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Energy: 0.9700063134558943
Energy: 0.9522119030259832
Energy: 0.9529663129580224
Energy: 0.9526023518517791
Energy: 0.987931358943187
Energy: 0.9936032304860736
Energy: 0.9543723162352353
Energy: 0.9511587389117575
Energy: 0.9566812650089617
Energy: 0.9674984674012511
Energy: 0.952809916695578
Energy: 0.9533784891791143
Energy: 0.9511718118325956
Energy: 0.9819699051053773
Energy: 0.9680326752353748
Energy: 0.9857122152279311
Energy: 0.9904252496532929
Energy: 0.9542983902361434
Energy: 0.9722833035184512
Energy: 0.9673335977388059
Energy: 0.9712781736307005
Energy: 0.9904050511165929
Energy: 0.9549007516376342
Energy: 0.9717779931554472
Energy: 0.9603587064206258
Energy: 0.9692013053681248
Energy: 0.9556678961570395
Energy: 0.9271703154386383
Energy: 0.9692805370656514
Energy: 0.9646536323975572
Energy: 0.9696437745594341
Energy: 0.9328954145420743
Energy: 0.9270516580219137
Energy: 0.9697259943991605
Energy: 0.9640052144624264
Energy: 0.9707742138834684
Energy: 0.9732789554709818
Energy: 0.9663456667040913
Energy: 0.9843498400743882
Energy: 0.9700060945403688
Energy: 0.9702855244394698
Energy: 0.9827374814849158
Energy: 0.9668286778547449
Energy: 0.9832452371426309
Energy: 0.9703832266678962
Energy: 0.9298141765559589
Energy: 0.9632297952602795
Energy: 0.9695296741806438
Energy: 0.9707594945065342
Energy: 0.9716722362423698
Energy: 0.9758107210592607
Energy: 0.963768482839811
Energy: 0.9927379593028545
Energy: 0.9843968795556156
Energy: 0.9700336188525094
Energy: 0.9700644128311331
Energy: 0.9628322460754792
Energy: 0.9541375890523714
Energy: 0.9694033109767449
Energy: 0.9695228592058254
Energy: 0.9871787555375054
Energy: 0.9635022535963085
Energy: 0.9545791505854717
Energy: 0.980914361986114
Energy: 0.9700674329399445
Energy: 0.9666024565561252
Energy: 0.9875910217238221
Energy: 0.952165888286369
Energy: 0.9532918769193841
Energy: 0.971354837310949
Energy: 0.9685435833916823
Energy: 0.9878482699241278
Energy: 0.9519734807969498
Energy: 0.9542397924276763
Energy: 0.9700703043925829

minimum gb energy = 0.9270516580219137 eV
minimum distance =  2.33241918190389 Angstroms
sigma value = 15


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

Energy: 1.6107010604678331
Energy: 1.0838391147885853
Energy: 1.1108969036869056
Energy: 1.0881725518133596
Energy: 1.1384506109153267
Energy: 1.0777382523728736
Energy: 1.0820064976346175
Energy: 1.1092282597035472
Energy: 1.0925712959610991
Energy: 1.1098998763152226
Energy: 1.1142906967874113
Energy: 1.0921264861656426
Energy: 1.0840795454101502
Energy: 1.0815441320343984
Energy: 1.0965585644978417
Energy: 1.092241104467848
Energy: 1.0806159022829294
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Energy: 1.102632853874442

minimum gb energy = 1.05348326746819 eV
minimum distance =  2.26518241245078 Angstroms
sigma value = 293


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

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Energy: 1.0969379252243494
Energy: 1.0686266323413194
Energy: 1.0731332632420876
Energy: 1.085537528447525
Energy: 1.114179434818565
Energy: 1.094171598254397
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Energy: 1.1103166664152062
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Energy: 1.0797271491400173
Energy: 1.1175845684527366
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Energy: 1.0936095880817371
Energy: 1.1233234164594499
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Energy: 1.0706652595431405
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Energy: 1.0808103322665363
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Energy: 1.0813118792518805
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Energy: 1.0812113303620958
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Energy: 1.0796382780260094
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Energy: 1.0970605185157762
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Energy: 1.0969059104492038
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Energy: 1.085262644651695
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Energy: 1.0993970814861036
Energy: 1.077119535227527
Energy: 1.0850447921695927
Energy: 1.08847824562731
Energy: 1.0842648169247437
Energy: 1.1041992404553245
Energy: 1.0887154830911496
Energy: 1.0558074574852199
Energy: 1.1075158047573048
Energy: 1.1028567516631165
Energy: 1.0811893570892654
Energy: 1.1113536124179186
Energy: 1.0997261718087143
Energy: 1.0788331324635876
Energy: 1.1240652381422158
Energy: 1.0798205172063506
Energy: 1.0483470004819042
Energy: 1.1419044980482074
Energy: 1.0835068123453135
Energy: 1.0760251049587166
Energy: 1.1166645180092047
Energy: 1.1532806046631956
Energy: 1.1364841188469303
Energy: 1.083867095595315
Energy: 1.0778357390700477
Energy: 1.1309875096982287
Energy: 1.0488023450940689
Energy: 1.0838287878665518
Energy: 1.0768493855768668
Energy: 1.0823555181672129
Energy: 1.1184796364671392
Energy: 1.0845456451504798
Energy: 1.082859183593373
Energy: 1.0786683290470682
Energy: 1.0804668382926843
Energy: 1.1240278933149153
Energy: 1.1102775027695244
Energy: 1.116839285586551
Energy: 1.1237198398770034
Energy: 1.1080417416325201
Energy: 1.076969231453799
Energy: 1.078693215659466
Energy: 1.0769929758822032
Energy: 1.1117955890635793
Energy: 1.103743447273438
Energy: 1.0727939937737558
Energy: 1.0844638522737893
Energy: 1.0833283691070907
Energy: 1.1130308300333382
Energy: 1.1408094392093089
Energy: 1.0837591973682001
Energy: 1.1080963345266186
Energy: 1.1134931436233897
Energy: 1.1127674894734434
Energy: 1.138399079409676
Energy: 1.085379031396593
Energy: 1.111504314529387
Energy: 1.0815673135192485
Energy: 1.1200214469758176
Energy: 1.066721643209712
Energy: 1.0879318305376755
Energy: 1.10449089072495
Energy: 1.0790246817502458
Energy: 1.130756729477595
Energy: 1.0687159032306042
Energy: 1.0850941851827185
Energy: 1.164361772510475
Energy: 1.0485705572450683
Energy: 1.1198005701178477
Energy: 1.0926933989352556
Energy: 1.0669714176494798
Energy: 1.1101000815333304
Energy: 1.1007112035792508
Energy: 1.1000848504376801
Energy: 1.0858186026517804
Energy: 1.0851627809261093
Energy: 1.103283245363799

minimum gb energy = 1.0374842762023613 eV
minimum distance =  2.29254747295864 Angstroms
sigma value = 293


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

Energy: 1.009599762886796
Energy: 1.0175338533844516
Energy: 1.1206449454021534
Energy: 1.038209451661158
Energy: 1.0191366629033853
Energy: 1.0104067740656575
Energy: 1.0380904604401486
Energy: 1.1188251264868394
Energy: 1.0381842769733305
Energy: 1.0180801590016775
Energy: 1.013916127234634
Energy: 1.0316321794891123
Energy: 1.0299416547081588
Energy: 1.028664416607924
Energy: 1.0321003044590662
Energy: 1.0960610532607968
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Energy: 1.0168344063669288
Energy: 1.029935443808093
Energy: 1.0365440986745635
Energy: 1.033600963470844
Energy: 1.0314791425765384
Energy: 1.0334021272628942
Energy: 1.038657552432507
Energy: 1.0962033702088183
Energy: 1.0318217316699618
Energy: 1.0305955226036916
Energy: 1.032327385990131
Energy: 1.120569371598566
Energy: 1.0970222561454683
Energy: 1.1211188737610769
Energy: 1.0129763732571073
Energy: 1.016579656539018
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Energy: 1.0392522635095371
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Energy: 1.0383533118741781
Energy: 1.0333411863717956
Energy: 1.0357325671118702
Energy: 1.0360792859665724
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Energy: 1.04030274042159
Energy: 1.0325474513103423
Energy: 1.0337992107740637
Energy: 1.0362465579470637
Energy: 1.0139072150922244
Energy: 1.040853956058701
Energy: 1.0322808454748946
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Energy: 1.091553005776858
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Energy: 1.0111770885863594
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Energy: 1.0920961694116749
Energy: 1.0368001898239936
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Energy: 1.029513085856154
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Energy: 1.031514460750428
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Energy: 1.0296334129271651
Energy: 1.0142927975346938
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Energy: 1.0315315216840215
Energy: 1.0136655006029065
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Energy: 1.0972038341991577
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Energy: 1.0381209435998815
Energy: 1.0187760571725037
Energy: 1.0106947245484623
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Energy: 1.0383525183307691
Energy: 1.0180895674358044
Energy: 1.099366518358674
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Energy: 1.0295614853800992
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Energy: 1.09655473153802
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Energy: 1.1196975248634191
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Energy: 1.1210786945433233
Energy: 1.0129951011574694
Energy: 1.0163723095319563
Energy: 1.0319422380662007
Energy: 1.1241470239561817
Energy: 1.1202330884594838
Energy: 1.0124589022327868
Energy: 1.0174942712701283
Energy: 1.0318022179411641
Energy: 1.096506627708352
Energy: 1.0332405212265259
Energy: 1.0168883075060937
Energy: 1.0116121403840859
Energy: 1.034845575944043
Energy: 1.039102284985739
Energy: 1.0307871679988365
Energy: 1.017059775441331
Energy: 1.012256517473711
Energy: 1.0332326012003006
Energy: 1.0325052386286613
Energy: 1.0319153277975657
Energy: 1.1209767673708642
Energy: 1.039032759471326
Energy: 1.0321510587466136
Energy: 1.0175508250703431
Energy: 1.0322118514314975
Energy: 1.11965512803825
Energy: 1.0388121004925563
Energy: 1.0335761086249804
Energy: 1.0358868081587187
Energy: 1.1386576793908174
Energy: 1.0137189659257009
Energy: 1.039158419274907
Energy: 1.032696721399893
Energy: 1.034201294122723
Energy: 1.0370281414127702
Energy: 1.013925777776381
Energy: 1.0408774712779216
Energy: 1.0326728264882157
Energy: 1.0320864076595593
Energy: 1.037193427326701
Energy: 1.0917749430055887
Energy: 1.0407706438638586
Energy: 1.0114079613493607
Energy: 1.016675948072262
Energy: 1.0824983970419626
Energy: 1.0913545197631032
Energy: 1.0370275368593438
Energy: 1.0110133648827042
Energy: 1.017041860195097
Energy: 1.0317964693694697
Energy: 1.0169021864120573
Energy: 1.0298331302753438
Energy: 1.0152766149427648
Energy: 1.1000026628641586
Energy: 1.031532918566884
Energy: 1.0286370282783204
Energy: 1.0298750947337763
Energy: 1.0140559946840737
Energy: 1.0350828209318006
Energy: 1.033189700600001
Energy: 1.0337945953606085
Energy: 1.0920339055568582
Energy: 1.1222341521756793
Energy: 1.038209219606909
Energy: 1.037073241542031
Energy: 1.0352301159886794
Energy: 1.0961142825113654
Energy: 1.0351078869030161
Energy: 1.0319579117362174
Energy: 1.0133458658563064
Energy: 1.0404264523843048
Energy: 1.0297168571781845
Energy: 1.033576942160724
Energy: 1.0999978805447208
Energy: 1.0142059744324219
Energy: 1.0407354796137986
Energy: 1.01321666438342
Energy: 1.0349068296793988
Energy: 1.0983220506830595

minimum gb energy = 1.009599762886796 eV
minimum distance =  2.31662619244357 Angstroms
sigma value = 15


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

Energy: 1.7213045821779718
Energy: 1.1477122963179907
Energy: 1.1499011174721285
Energy: 1.027633907242732
Energy: 1.0983960401250026
Energy: 1.1643585974354302
Energy: 1.1345373873616427
Energy: 1.1325785832954924
Energy: 1.025871526737696
Energy: 1.1612281313374786
Energy: 1.009204232545333
Energy: 1.083062468540235
Energy: 1.0637251443539986
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Energy: 1.0961490893880828
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Energy: 1.1013995258684686
Energy: 1.0271732166345973
Energy: 1.1496915014926743
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Energy: 1.153340498598278
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Energy: 1.0857284933191051
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Energy: 1.0890114383599614
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Energy: 1.0226742008347307
Energy: 1.051052866577822
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Energy: 1.0233752967900525
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Energy: 1.0445327751660738
Energy: 1.0445628395672548
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Energy: 1.1803085783551557
Energy: 1.1171118930069646
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Energy: 1.0120382103114942
Energy: 1.1450110266564908
Energy: 1.1802735368451172
Energy: 1.1199723398242722
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Energy: 1.0119215729738307
Energy: 1.0760342805275813
Energy: 1.1009303802108503
Energy: 1.0987777627208577
Energy: 1.0295146477252448
Energy: 1.0338458630926026
Energy: 1.0312514041089995
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Energy: 1.1618988757469257
Energy: 1.098114850797252
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Energy: 1.1554041828527803
Energy: 1.1082249091420058
Energy: 1.0698155824008355
Energy: 1.0590816802039882
Energy: 1.126056723749826
Energy: 1.0029471718629204
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Energy: 1.0692086404659171
Energy: 1.0271864690246801
Energy: 1.1113531086928057
Energy: 1.1822885727590284
Energy: 1.1764165158293782
Energy: 1.0683561069256347
Energy: 1.0281264515842037
Energy: 1.056203765648212
Energy: 1.1834225019598221
Energy: 1.060949840029591
Energy: 1.083979892279065
Energy: 1.1736332033591117
Energy: 1.1843926639997895
Energy: 1.046862895835219
Energy: 1.109809534583947
Energy: 1.0914453825653785
Energy: 1.178783366049892
Energy: 1.183193325611741
Energy: 1.0470411104634305
Energy: 1.0938893452277287
Energy: 1.0511555527339391
Energy: 1.013516199593138
Energy: 1.0964259703885377
Energy: 1.2746005521058092
Energy: 1.2035125393323085
Energy: 1.1251336962160436
Energy: 1.0146066724424023
Energy: 1.1407547269284393
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Energy: 1.2007051433523905
Energy: 1.0908180313361617
Energy: 1.178083966711387
Energy: 1.213087872778931
Energy: 1.2145058408591733
Energy: 1.0579835170922416
Energy: 1.0307818861408238
Energy: 1.0926943410908336
Energy: 1.2126061322952237
Energy: 1.2152558655891508
Energy: 1.0474358503384062
Energy: 1.0278728932243832
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Energy: 1.088601878402442
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Energy: 1.0284835912396448
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Energy: 1.0511071858074628
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Energy: 1.0993200560686962
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Energy: 1.0996724535183353
Energy: 1.1269408639701848
Energy: 1.0850766488233088
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Energy: 1.0352013172982488
Energy: 1.1740843261298992
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Energy: 1.1840096643982996
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Energy: 1.0877780060049251
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Energy: 1.2187817286776712
Energy: 1.0262287804054353
Energy: 1.0264529532019517
Energy: 1.1872844922490993
Energy: 1.2146309902483057
Energy: 1.1863848221290272
Energy: 1.0263997340596762
Energy: 1.0267020367086037
Energy: 1.1709419821882099
Energy: 1.3260050699847954
Energy: 1.0288975084863892
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Energy: 1.0279573806684954
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Energy: 1.0283932006694636
Energy: 1.0256659380074657
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Energy: 1.1341635807266561
Energy: 1.030776405373232
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Energy: 1.035319859513689
Energy: 1.0208622909301073
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Energy: 1.0275694905112036
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Energy: 1.0209033672440933
Energy: 1.0678590674379256
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Energy: 1.1199010605149833
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Energy: 1.043368156746987
Energy: 1.098903478418347
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Energy: 1.0806553933911018
Energy: 1.0292955394736525
Energy: 1.220347993984696
Energy: 1.0807704699337133
Energy: 1.0460704743138125
Energy: 1.0502871048907152
Energy: 1.0277112312852172
Energy: 1.0125581993850639
Energy: 1.081370844772694
Energy: 1.0470834126702684
Energy: 1.0509312142755358
Energy: 1.0966385878696634
Energy: 1.0292244987627879
Energy: 1.0427344235528402
Energy: 1.0492928662888577
Energy: 1.0473720841832261
Energy: 1.0977949217548708
Energy: 1.0642609864127974
Energy: 1.0439213758440278
Energy: 1.0487191966148057
Energy: 1.0484686451817549
Energy: 1.1804765291467034
Energy: 1.1220647821311573
Energy: 1.0111938465462844
Energy: 1.0113921474880723
Energy: 1.071516799866659
Energy: 1.1801484118403698
Energy: 1.1210866621895055
Energy: 1.0112411996452726
Energy: 1.0114778525582397
Energy: 1.0702010554965977
Energy: 1.0997109240174623
Energy: 1.0122861412024597
Energy: 1.0239091380447556
Energy: 1.0312534590172981
Energy: 1.114232126168094
Energy: 1.0941376405426242
Energy: 1.0112751916787268
Energy: 1.0245449526555819
Energy: 1.023334144282896
Energy: 1.1136074701839436
Energy: 1.0572025487669052
Energy: 1.1235382962055191
Energy: 1.1266615906287436
Energy: 1.0279680453986946
Energy: 1.0700430151044067
Energy: 1.0573725811212251
Energy: 1.1268548889241368
Energy: 1.0240102473079076
Energy: 1.0252365530276155
Energy: 1.069203049699675
Energy: 1.0279879613574294
Energy: 1.1022433438494106
Energy: 1.1829960381454285
Energy: 1.0612333718268727
Energy: 1.078781233198889
Energy: 1.02820274136344
Energy: 1.1039596212113219
Energy: 1.183788175858392
Energy: 1.0727716272321333
Energy: 1.1240911245966851
Energy: 1.1874817717427106
Energy: 1.187319091702048
Energy: 1.187034794486518
Energy: 1.184536258123823
Energy: 1.0764950930211936
Energy: 1.1867862435280905
Energy: 1.186941800149256
Energy: 1.1881352820398872
Energy: 1.1842567417426912
Energy: 1.0510971741521224
Energy: 1.0137953616170083
Energy: 1.1683895078810353
Energy: 1.0799942824017061
Energy: 1.207425549435543
Energy: 1.138798786621981
Energy: 1.0151380299752488
Energy: 1.1551160046461604
Energy: 1.081421992616305
Energy: 1.1749313488285051
Energy: 1.0895830037706646
Energy: 1.1356582931904096
Energy: 1.215559753751496
Energy: 1.2133883941838943
Energy: 1.1556658259951038
Energy: 1.030114982557492
Energy: 1.2073095622309833
Energy: 1.2147017310865484
Energy: 1.2130952992770243
Energy: 1.1034298619785028
Energy: 1.027781678959136
Energy: 1.0278295907382282
Energy: 1.1484836792433208
Energy: 1.0352345489814594
Energy: 1.0271185295365062
Energy: 1.0313491934786063
Energy: 1.0289301658843395
Energy: 1.2272659985841212
Energy: 1.0347936375211149
Energy: 1.0304663845542923
Energy: 1.0341258650738063
Energy: 1.038755523330898
Energy: 1.1278286094185945
Energy: 1.0662369199724706
Energy: 1.0268342902512442
Energy: 1.0285713454692713
Energy: 1.0890672275196918
Energy: 1.1287888154765435
Energy: 1.0854675158983471
Energy: 1.0262192757218516
Energy: 1.028708605682422
Energy: 1.146163743185714
Energy: 1.024393955660558
Energy: 1.0485680865012688
Energy: 1.0271891502496402
Energy: 1.0883641627432277
Energy: 1.1490629478600591
Energy: 1.0206322204472906
Energy: 1.0329189676675758
Energy: 1.0287038931801633
Energy: 1.1082576344403126
Energy: 1.030688000645003
Energy: 1.028323756573252
Energy: 1.0641304788270853
Energy: 1.2508025662280617
Energy: 1.0264947763771506
Energy: 1.0132933596435243
Energy: 1.0445742238515527
Energy: 1.092662331484228
Energy: 1.2518246986410602
Energy: 1.0280694926610245
Energy: 1.0311664713229318
Energy: 1.0281058460634689
Energy: 1.0350179633134802
Energy: 1.0276310685704566
Energy: 1.0440259754542094
Energy: 1.047471077923934
Energy: 1.0449181195495896
Energy: 1.050977039873323
Energy: 1.0793118516427287
Energy: 1.0383121895205056
Energy: 1.0382859161989888
Energy: 1.0429025979920157
Energy: 1.1859970609373136
Energy: 1.1859240000710924
Energy: 1.1797517842857328
Energy: 1.015113430840227
Energy: 1.103516830585064
Energy: 1.1842392914243425
Energy: 1.1023079308937176
Energy: 1.0701407075412832
Energy: 1.0395010160874423
Energy: 1.1465213276895516
Energy: 1.0986063405038209
Energy: 1.0259368475236186
Energy: 1.004162426182475
Energy: 1.0251453400249377
Energy: 1.0981750978754914
Energy: 1.1259130268332012
Energy: 1.087743981019967
Energy: 1.0123902146609305

minimum gb energy = 1.0029471718629204 eV
minimum distance =  2.2899183859286 Angstroms
sigma value = 437


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

Energy: 1.3791283731377688
Energy: 0.9705782010120063
Energy: 1.1045587334908316
Energy: 1.0565877925488316
Energy: 0.9710109653151617
Energy: 1.3772764089639786
Energy: 1.0131782366053337
Energy: 1.1076855221035153
Energy: 0.9717884955810051
Energy: 0.9719507804511704
Energy: 0.9449502272846587
Energy: 1.0927497163235884
Energy: 0.9542562755716201
Energy: 1.1460438641171553
Energy: 0.9815558511945648
Energy: 0.9491566723961924
Energy: 1.091684908490842
Energy: 1.1366410485270344
Energy: 1.0907868034585284
Energy: 0.981670436345343
Energy: 1.0509995659915732
Energy: 1.0675884886869673
Energy: 1.089642489020415
Energy: 0.983620277506246
Energy: 0.9554758689364476
Energy: 1.0505154205053646
Energy: 1.067489239739659
Energy: 1.0902367810135205
Energy: 0.9836885171376405
Energy: 1.0475080784120168
Energy: 0.9817772476500363
Energy: 0.9859044316255264
Energy: 1.084321721785295
Energy: 1.0529023768287367
Energy: 1.0457245686951597
Energy: 0.9830543564811901
Energy: 0.9840245393961726
Energy: 1.0852819713243216
Energy: 1.0527403280998693
Energy: 0.9558451617013788
Energy: 0.9802715507624948
Energy: 1.0128718369143992
Energy: 0.9861196770888613
Energy: 0.9939201097747524
Energy: 1.036631969374586
Energy: 0.9790333077917313
Energy: 1.0859069921291427
Energy: 0.9881308896388274
Energy: 0.9869988250109606
Energy: 0.9484875335010644
Energy: 1.0040722191000298
Energy: 0.9817821861902212
Energy: 0.9482266134273095
Energy: 0.9836097037888035
Energy: 1.0296640517872946
Energy: 1.0046449986130002
Energy: 0.9811036614614549
Energy: 0.9478909455430824
Energy: 0.9817299905555803
Energy: 1.3802759387427257
Energy: 1.053706141277035
Energy: 1.050840047419604
Energy: 1.0476011310190023
Energy: 0.984317252510099
Energy: 0.9916420014899898
Energy: 1.0513551937236916
Energy: 1.0497718416480366
Energy: 1.0488854795774465
Energy: 0.9844289205678948
Energy: 0.9915381184956619
Energy: 1.0667756206042154
Energy: 1.0513693956612813
Energy: 0.9809330664697844
Energy: 0.9848269269785515
Energy: 1.0910434339028479
Energy: 1.067223447670662
Energy: 1.0495817009227248
Energy: 0.9820385346650098
Energy: 0.9853825090467893
Energy: 1.0905741495099848
Energy: 0.9810993699722039
Energy: 1.0861710138481773
Energy: 1.0135482055978768
Energy: 0.9934997048503513
Energy: 0.9813471552353376
Energy: 0.9801095321044251
Energy: 1.084917588292536
Energy: 1.0138111433181645
Energy: 0.9921525596628721
Energy: 0.9801360928504617
Energy: 0.9523784219536042
Energy: 0.9856696941267148
Energy: 0.9549475031356568
Energy: 0.9544378061956594
Energy: 1.023354243475308
Energy: 1.0503520641484922
Energy: 0.9875106075049426
Energy: 0.9562629065393844
Energy: 0.9554572020247215
Energy: 1.0187795898130827
Energy: 0.9501523571678296
Energy: 0.9489754948615436
Energy: 0.9526464130031775
Energy: 1.0303512316782082
Energy: 0.9510918817435412
Energy: 0.9490354509249399
Energy: 0.9486594479902357
Energy: 1.014040756376668
Energy: 1.0310692965912143
Energy: 0.9864518112555857
Energy: 0.9494454413714124
Energy: 0.9547154842288298
Energy: 0.9539428806880617
Energy: 1.0669239320502684
Energy: 0.9516615305400205
Energy: 0.9517353260192714
Energy: 0.9565867744587586
Energy: 0.9559391852303253
Energy: 1.0668816104414245
Energy: 0.9502923783498679
Energy: 0.950010920023565
Energy: 0.9538483470507219
Energy: 1.250193491648184
Energy: 1.0862709428571375
Energy: 0.9512823041544475
Energy: 0.9506838464801676
Energy: 0.9596564545673819
Energy: 1.005288816795635
Energy: 1.0872428615928647
Energy: 0.9501223089398809
Energy: 0.947578978538256
Energy: 0.9528109919371013
Energy: 1.1193023878971347
Energy: 0.958744678672418
Energy: 0.9584851811591986
Energy: 1.1412795147303902
Energy: 0.9544474308987464
Energy: 1.0330298909203355
Energy: 0.9582864599462616
Energy: 1.0005319536887551

minimum gb energy = 0.9449502272846587 eV
minimum distance =  2.34816016648206 Angstroms
sigma value = 33