Model name: model_name=MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999997019768
cohesive_energy=3.3532637301406303
mass=26.981538
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=[1.76184955734444e-19, 2.4127177931406e-19, 2.8940917628258996e-19, 3.2773163919123595e-19, 3.5938904730244197e-19, 3.85265802118176e-19, 4.0749600291492596e-19, 4.2722841033926997e-19, 4.443749046763379e-19, 4.5932801920146e-19, 4.723825544152919e-19, 4.837772346363e-19, 4.936995145306619e-19, 5.023080095851439e-19, 5.097324961071e-19, 5.16080319931008e-19, 5.21447611654908e-19, 5.259160822871339e-19, 5.29553023246314e-19, 5.324209194211739e-19, 5.345758469939039e-19, 5.3606426908689e-19, 5.369294444692499e-19, 5.372098253802e-19, 5.36910218349642e-19, 5.359473101926079e-19, 5.34207346368084e-19, 5.315637549219839e-19, 5.2786112472081e-19, 5.22915205451652e-19, 5.1650810109228595e-19, 5.0837865685137e-19, 4.982096417553719e-19, 4.85618135588766e-19, 4.701363027744239e-19, 4.51190564077374e-19, 4.2806955307212e-19, 3.9988245955015797e-19, 3.6551256639759e-19, 3.23533936410156e-19, 2.72115281695194e-19, 2.0886615471477596e-19, 1.3063074815291218e-19, 3.31764317779014e-20, -8.92862596772154e-20, -2.44907118096606e-19, -4.45659850336806e-19, -7.09754635802196e-19, -1.0660258473748738e-18, -1.562397792531048e-18, -2.28377461763628e-18, -3.3946277650538395e-18, -5.25927297523572e-18, -8.868608431011899e-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: 0.0 eV

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

Energy: 0.011658047208190853
Energy: 0.3023690743394955
Energy: 0.360991649648533
Energy: 0.4652955789440822
Energy: 0.012409145011755105
Energy: 0.012743329794846882
Energy: 0.303122426036021
Energy: 0.3983850898333899
Energy: 0.4530562574791506
Energy: 0.01259560554104295
Energy: 0.2869583661294543
Energy: 0.30981124495588597
Energy: 0.46093353884704963
Energy: 1.003896477070978
Energy: 0.7234708644909148
Energy: 0.23366922813849456
Energy: 0.30974284650497425
Energy: 0.534001660360104
Energy: 0.9562322096865815
Energy: 0.41743837967483516
Energy: 0.34973144446375354
Energy: 0.012514788537042661
Energy: 0.01204663882565353
Energy: 0.5775301804527191
Energy: 0.6084113111071061
Energy: 0.5387558687438339
Energy: 0.01240018005185918
Energy: 0.01218866077469094
Energy: 0.2459855811848485
Energy: 0.33567326628581934
Energy: 0.8703289625351153
Energy: 0.012383462003456224
Energy: 0.012207055796975088
Energy: 0.3994963476003569
Energy: 0.3654076908553781
Energy: 0.4450448967669961
Energy: 0.012528687544042617
Energy: 0.01218000878936123
Energy: 0.389158325273996
Energy: 0.5280699808282625
Energy: 0.7036474229064047
Energy: 0.3910166103191987
Energy: 0.4692446263358887
Energy: 0.012180430047638082
Energy: 0.01231097987638023
Energy: 0.8347805187935885
Energy: 0.47260678993206806
Energy: 0.4895140251481319
Energy: 0.012333643197581179
Energy: 0.37294083281578566
Energy: 0.47778452278321615
Energy: 0.7006340125909069
Energy: 0.43691049364936496
Energy: 0.012299608563000075
Energy: 0.01264435871172334
Energy: 0.4334144115602817
Energy: 0.6629281485282271
Energy: 0.5660062058662271
Energy: 0.012268205638368893
Energy: 0.012536969450424927
Energy: 0.01262367407839026
Energy: 0.5848323653819145
Energy: 0.7638765069186627
Energy: 0.4160633383170113
Energy: 0.30984568182701117
Energy: 0.012801040968972895
Energy: 0.4082445470901186
Energy: 0.7710177623993334
Energy: 0.44016452716558063
Energy: 0.7347244331024868

minimum gb energy = 0.011658047208190853 eV
minimum distance =  1.83188260589947 Angstroms
sigma value = 3


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

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Energy: 1.0399644803275518
Energy: 0.6382358542282689
Energy: 0.6270783120874995
Energy: 0.8208882356618626
Energy: 0.719823809006722
Energy: 0.9323708287399749
Energy: 0.6298002494499559
Energy: 0.6740125703817864
Energy: 0.8435244964872434
Energy: 0.9162025621818883
Energy: 0.8708261109485564
Energy: 0.7611909145165072
Energy: 0.8198343610626607
Energy: 0.8598763488199277
Energy: 0.8272413499925424
Energy: 0.8391666585878743
Energy: 0.7220607982380849
Energy: 0.8312267027765513
Energy: 0.8645097646466915
Energy: 0.6925242547632494
Energy: 0.7834675450033594
Energy: 0.7712948578587341
Energy: 0.730286485396466
Energy: 0.6613296948708458
Energy: 0.6636427248759132
Energy: 0.7740482664140533
Energy: 0.7646613501776595
Energy: 0.7371811863449919
Energy: 0.6745671785883528
Energy: 0.6832056465168845
Energy: 0.8994434024779201
Energy: 0.988816793983621
Energy: 0.7438619791540789
Energy: 0.6823083905289112
Energy: 0.8074147611457995
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Energy: 0.8248617909461133
Energy: 0.7848138140897918
Energy: 0.6770527463864323
Energy: 0.7903249969472199
Energy: 0.7444498584104724
Energy: 0.8346882996988096
Energy: 0.7571420437297194
Energy: 0.8215925549751558
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Energy: 0.7238377705485325
Energy: 0.8736121324996173
Energy: 0.9751246438311075
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Energy: 0.6787683085371855
Energy: 0.7646761131071834
Energy: 0.7562757316294831
Energy: 0.7419121693987923
Energy: 0.7890224901729928
Energy: 0.6715832625699927
Energy: 0.7056025446533396
Energy: 0.8506718410661417
Energy: 0.7374951697822529
Energy: 0.782498633630728
Energy: 0.7976195493114997
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Energy: 0.903727626753524
Energy: 0.8367087486915145
Energy: 0.8070361655983932
Energy: 0.7678613188743505
Energy: 0.8151105634060511
Energy: 0.8253920354866657
Energy: 0.8817466180182104
Energy: 0.7974497928464909
Energy: 0.6568580781161832
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Energy: 0.8877300484767605
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Energy: 0.6490404557743787
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Energy: 0.9873631728767789
Energy: 0.6381680457462826
Energy: 0.8354516531701495
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Energy: 0.8664330205689693
Energy: 0.892619548277563
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Energy: 0.832069346653454
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Energy: 0.7675160458880238
Energy: 0.9649541496784826
Energy: 0.8222464746579906
Energy: 0.7484471273300447
Energy: 0.8950762561925174
Energy: 0.7644511414035046
Energy: 0.8530435775382268
Energy: 0.6456683237533397
Energy: 0.6584634057187974
Energy: 0.8934038010885732
Energy: 0.7250862785181328
Energy: 0.8937526549225275
Energy: 0.652750855394067
Energy: 0.6422739516447702
Energy: 0.8314343587918019
Energy: 0.8031279582348237
Energy: 0.899103303370041
Energy: 0.6776717865873811
Energy: 0.8661113419733609
Energy: 0.8683872264067746
Energy: 0.8116069700580635
Energy: 0.8953385435106582
Energy: 0.7239893013091743
Energy: 0.8419806923470489
Energy: 0.8678176219365015
Energy: 0.6866164865100279
Energy: 0.7703330585684351
Energy: 0.8148107450556836
Energy: 0.9415393811457529
Energy: 0.703980485024722
Energy: 0.7089339905596088
Energy: 0.775166447203357
Energy: 0.7654639051236417
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Energy: 0.8808866992673512
Energy: 0.710998128842942
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Energy: 0.792777646729363
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Energy: 0.6043429027289899
Energy: 0.7174424795605973
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Energy: 0.8836906930870801
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Energy: 0.6648631941888585
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Energy: 0.7726273816876085
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Energy: 0.8063481327298094
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Energy: 0.6673961426882127
Energy: 0.816064781462913
Energy: 0.7727793157172741
Energy: 0.6667263703228846
Energy: 0.6456561137502362
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Energy: 0.8007445524464432
Energy: 0.8059437171645327
Energy: 0.6537316314493017
Energy: 0.8526913507670291
Energy: 0.8501780430494495
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Energy: 0.8676946098861793
Energy: 0.6927346014417091
Energy: 0.8353082549583166
Energy: 0.9220278765512124
Energy: 0.8039981665319578
Energy: 0.8644055349206703
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Energy: 0.8569631892365671
Energy: 0.6690903443988192
Energy: 0.6449600179886307
Energy: 0.7563706257555657
Energy: 0.8003617891267776
Energy: 0.8694635471450806
Energy: 0.8227970421472824
Energy: 0.7229228204876331
Energy: 0.8230860558578569
Energy: 0.8315646917735161
Energy: 0.9318918991758992
Energy: 0.6390009913698138
Energy: 0.6223789230408105
Energy: 0.8575259310407912
Energy: 0.823322394535332
Energy: 0.8983484969134784
Energy: 0.6310471847489378
Energy: 0.631358316769333
Energy: 0.8738271018486586
Energy: 0.8156084992878095
Energy: 0.825154750786179
Energy: 0.7962801146111801
Energy: 0.8556199128163477
Energy: 0.827109259507449
Energy: 0.7220009774598848
Energy: 0.8260072773298337
Energy: 0.8117990462471232
Energy: 0.869682278349949
Energy: 0.7881919700430364
Energy: 0.8962961898311143
Energy: 0.7788384910759993
Energy: 0.6367710129827683
Energy: 0.8741500495241953
Energy: 0.7895458760538326
Energy: 0.6744873388663547
Energy: 0.783328312284339
Energy: 0.8956047428605493
Energy: 0.8308144528827616
Energy: 0.7677683649373948
Energy: 0.6762897692332573
Energy: 0.7767143479657383
Energy: 0.8447713847381841
Energy: 0.8496561243076981
Energy: 0.8167268357842018
Energy: 0.9189740950175017
Energy: 0.7458316107619145
Energy: 0.6681705124721775
Energy: 0.8300733817838843
Energy: 0.7610584764960673
Energy: 0.977630623209368
Energy: 0.7842588176715084
Energy: 0.8960589498253628
Energy: 0.6431907883106457
Energy: 0.6284380497684245
Energy: 0.8269374738869932
Energy: 0.7240924982243958
Energy: 0.883008820280314
Energy: 0.6511799338993471
Energy: 0.6488793126156324
Energy: 0.8511346801118878

minimum gb energy = 0.6043429027289899 eV
minimum distance =  1.89566520522356 Angstroms
sigma value = 75


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

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Energy: 0.8201779350148126
Energy: 0.6417737156069354
Energy: 0.6416512237182538
Energy: 0.8266568224762562
Energy: 0.8455488630249889
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Energy: 0.6005681959144378
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Energy: 0.6568361704333773
Energy: 0.9085463244040513
Energy: 0.7768392026539245
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Energy: 0.7258085992847944
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Energy: 0.6785367194486662
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Energy: 0.7461608501219361
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Energy: 0.7121626139602147
Energy: 0.6797319066097484
Energy: 0.6720096448360839
Energy: 0.7010167216028786
Energy: 0.6860535673858809
Energy: 0.6663549077507211
Energy: 0.8883287326784026
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Energy: 0.6616624715901325
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Energy: 0.871239591949349
Energy: 0.8114556340250975
Energy: 0.7290261191527895
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Energy: 0.7338026148850829
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Energy: 0.7196558797362957
Energy: 0.7033267615545928
Energy: 1.0368337779054326
Energy: 0.8508494965694272
Energy: 0.7024003634588307
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Energy: 0.8316754330269623
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Energy: 0.8738960679481689
Energy: 0.8323288151181548
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Energy: 0.711579547378345
Energy: 0.8426726607247174
Energy: 0.8725902902208228
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Energy: 0.7182299979114641
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minimum gb energy = 0.5706654525516491 eV
minimum distance =  1.9227936967434 Angstroms
sigma value = 105


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

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Energy: 0.8891341250483935
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Energy: 0.7816795943025825
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Energy: 0.7609543355343548
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Energy: 0.6727920541307278
Energy: 0.6779832901903599
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Energy: 0.7283919420900531
Energy: 0.6911338804174836
Energy: 0.787341148652109
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Energy: 0.9164864642682615
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Energy: 0.7690830753366293
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Energy: 0.7032787510293319
Energy: 0.6933366738804501
Energy: 0.7606785855243618
Energy: 0.9888975477068338
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Energy: 0.7959495060895699
Energy: 0.8640986821673728
Energy: 0.7412216522462106
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Energy: 0.7521907655223234
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Energy: 0.7598593544269524
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Energy: 0.754576906681064
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Energy: 0.8646109218491912
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Energy: 0.6499810572066058
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Energy: 0.8345260458193039
Energy: 1.0319516242865838
Energy: 0.9052213590280994
Energy: 0.6817971439133602
Energy: 0.6738707056672142
Energy: 0.8293206460088495
Energy: 0.7978446425459975
Energy: 0.8405067950600408
Energy: 0.7092920158604263
Energy: 0.6862740035781703
Energy: 0.8723195157867746
Energy: 0.9119823711965384
Energy: 0.8581143617017475
Energy: 0.7143442708382531
Energy: 0.7153873055855162
Energy: 0.88477304065978
Energy: 0.8656016775657656
Energy: 0.6781192155287505
Energy: 0.6515345441102687
Energy: 0.8308598183378202
Energy: 0.9272572981112198
Energy: 0.8569532118870875
Energy: 0.6612879891404935
Energy: 0.6735506084491322
Energy: 0.834921374811245
Energy: 0.8590426189340761
Energy: 0.8952278642140168
Energy: 0.7137549502794417
Energy: 0.6891972743170556
Energy: 0.8417780224074916
Energy: 0.8418304082781365
Energy: 0.8946185178099837
Energy: 0.7356311518866934
Energy: 0.7795545947249558
Energy: 0.8615990510192602
Energy: 0.8275764257317545
Energy: 0.8815557607173227
Energy: 0.8521964496014584
Energy: 0.8050102239716556
Energy: 0.7687907292253666
Energy: 0.7812109141850696
Energy: 0.9172029176908683
Energy: 0.7990465945323445
Energy: 0.825801682917303
Energy: 0.8530394586345852
Energy: 0.7773113604697405
Energy: 0.9031952649657734
Energy: 0.8388449800838292
Energy: 0.8292840572932666
Energy: 0.7127738525189831
Energy: 0.7072758980532812
Energy: 0.764616483229275
Energy: 0.9437960170543007
Energy: 0.7644864573322249
Energy: 0.7984216476833472
Energy: 0.720880984659749
Energy: 0.8170200392026592
Energy: 0.8291963756431969
Energy: 0.7826416370222998
Energy: 0.7606932044239259
Energy: 0.7772813259656788
Energy: 0.7834653276397338
Energy: 0.7640868765091265
Energy: 0.8139704247136346
Energy: 0.7636369368638617
Energy: 0.7827124801190243
Energy: 0.8500269988513818
Energy: 0.921934465594596
Energy: 0.6584147120649467
Energy: 0.6477189447710455
Energy: 0.9910265672501025
Energy: 0.8229159206089277
Energy: 0.9010584054417073
Energy: 0.6423796713425358
Energy: 0.6556950025754392
Energy: 0.8806999504136508

minimum gb energy = 0.6423796713425358 eV
minimum distance =  1.90299033586251 Angstroms
sigma value = 165


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

Energy: 0.770401333358402
Energy: 0.8458064368698571
Energy: 0.7283472984366642
Energy: 0.7226553793145624
Energy: 0.8311425162890304
Energy: 0.7752704030651235
Energy: 0.8375640549471147
Energy: 0.7864398758749385
Energy: 0.6993946410892727
Energy: 0.8405508996436013
Energy: 0.8009174109143372
Energy: 0.7548409334364264
Energy: 0.8276065057668006
Energy: 0.7256457083958178
Energy: 0.8460453048901311
Energy: 0.9179438742817065
Energy: 0.7310059202328393
Energy: 0.8403547179923642
Energy: 0.7845709519479889
Energy: 0.8542480120929083
Energy: 0.821163256053352
Energy: 0.7778659161181729
Energy: 0.739425843591682
Energy: 0.8399680194443055
Energy: 0.7958997456061523
Energy: 0.7745512575203221
Energy: 0.7594913960777162
Energy: 0.7845469927285839
Energy: 0.802172814383788
Energy: 0.7959587129968778
Energy: 0.6942788941548321
Energy: 0.8025122039792373
Energy: 0.8383705617495715
Energy: 0.8443993243759493
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Energy: 0.802586022352
Energy: 0.9622872394735542
Energy: 0.8437391179126279
Energy: 0.7839372102757486
Energy: 0.7742499409971556
Energy: 0.8397362121973753
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Energy: 0.7043009927948506
Energy: 0.7019685314618687
Energy: 1.1646215623551197
Energy: 0.823263330568713
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Energy: 0.7030387672891235
Energy: 0.8008577687220221
Energy: 0.7400581115180767
Energy: 0.7882414475954368
Energy: 0.9832934938529394
Energy: 0.6657987584495478
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Energy: 0.7406567257011091
Energy: 0.8394489429940047
Energy: 0.9247542217985806
Energy: 0.6700599045326849
Energy: 0.7092919608613095
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Energy: 0.9546320771579128
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Energy: 0.8096006831409353
Energy: 0.762478992528499
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Energy: 0.9355451411454061
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Energy: 0.9353699635484777
Energy: 0.751033564488803
Energy: 0.7456259398920057
Energy: 0.8358322603604763
Energy: 1.0024201144425702
Energy: 0.955108958476976
Energy: 0.8185821860098654
Energy: 0.8501909088191935
Energy: 0.9019426733763706
Energy: 0.9040105827328901
Energy: 1.050504493755438
Energy: 0.7021275083541135
Energy: 0.8311953565732584
Energy: 0.7884444269421728
Energy: 0.8946467144185275
Energy: 0.8550241621260888
Energy: 0.8039262080937637
Energy: 0.8094188067905478
Energy: 0.9999647272146379
Energy: 0.743161211870721
Energy: 0.8698755845473054
Energy: 0.797373123966945
Energy: 0.837833608816799
Energy: 0.863952081308755
Energy: 0.6851555665879496
Energy: 0.7677683766247851
Energy: 0.8406426660701627
Energy: 0.7921697425237534
Energy: 0.7757078092450268
Energy: 0.7841765990046133
Energy: 0.7823929808640596
Energy: 0.8500363122339288
Energy: 0.7746914900605537
Energy: 0.767848436542194
Energy: 0.7295917544902046
Energy: 0.8528486654195662
Energy: 0.7481848164261248
Energy: 0.7782271236088997
Energy: 0.8103112211051277
Energy: 0.746840338245465
Energy: 0.7844990982849687
Energy: 0.7751967267907063
Energy: 0.7935931278533257
Energy: 0.8051033853519263
Energy: 0.7676024380620932
Energy: 0.8494575244689427
Energy: 0.9686926958914636
Energy: 0.6804818878339183
Energy: 0.7650360776479141
Energy: 0.7603947471243242
Energy: 0.7414656077397396
Energy: 0.7597421927758287
Energy: 0.7684947535166606
Energy: 0.7678254123301155
Energy: 0.8579329623655974
Energy: 0.8387437938633913
Energy: 0.7756197374164998
Energy: 0.6694885004556749
Energy: 0.7037450021852792
Energy: 0.9421177738710691
Energy: 0.9542831655505134
Energy: 0.7651089711627805
Energy: 0.6679625300564631
Energy: 0.6963554577286152
Energy: 1.004666981921776
Energy: 0.8615223470741635
Energy: 0.7187749334162551
Energy: 0.8753316669529119
Energy: 0.7584580663581024
Energy: 0.8856385603818423
Energy: 0.8485833734098889
Energy: 0.7128614324520768
Energy: 0.7939796161509217
Energy: 0.7729086785312397

minimum gb energy = 0.6657987584495478 eV
minimum distance =  1.95635560211176 Angstroms
sigma value = 41


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

Energy: 1.048267255857471
Energy: 0.9256522030032379
Energy: 0.7312002631402725
Energy: 0.7412047578606389
Energy: 0.9141373295437653
Energy: 0.8024053092740748
Energy: 0.9204888718159191
Energy: 0.7218784333655566
Energy: 0.7293349211807243
Energy: 0.8257165491428795
Energy: 1.0120195160098509
Energy: 0.7356745634820425
Energy: 0.7353055243715877
Energy: 0.7247781847216787
Energy: 0.8645079211186173
Energy: 0.8448255306743463
Energy: 0.6823305560683384
Energy: 0.738151643376193
Energy: 0.7245393449438733
Energy: 0.9165143301676522
Energy: 0.7791152687996534
Energy: 0.6914096219510751
Energy: 0.7048328324656151
Energy: 0.7796315132404537
Energy: 1.0005828278385707
Energy: 0.8910259420422616
Energy: 0.7046508711258994
Energy: 0.7328145300336978
Energy: 0.9157782419454077
Energy: 0.8372269806792391
Energy: 0.8022740705929856
Energy: 0.7203943091528717
Energy: 0.7435497929175187
Energy: 0.893552846193235
Energy: 0.9025951687354966
Energy: 0.8236226855461719
Energy: 0.7448745628157194
Energy: 0.7269446313016751
Energy: 0.8859509802916068
Energy: 0.8587566911095373
Energy: 0.6975602156218054
Energy: 0.8204172461490782
Energy: 0.6856823739590249
Energy: 0.6815209629355844
Energy: 0.9343818735426577
Energy: 0.8566184075324262
Energy: 0.8379480398887963
Energy: 0.6689553112135542
Energy: 0.7085866252490964
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Energy: 0.8079978827084272
Energy: 0.8122056746816116
Energy: 0.7779293395387088
Energy: 0.6850007967936652
Energy: 0.7942207111665605
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Energy: 0.8435681536791424
Energy: 1.092408687778439
Energy: 0.7335480695378186
Energy: 0.7051231180419599
Energy: 0.6799275604264338
Energy: 0.672733975907505
Energy: 0.7737233233087534
Energy: 0.7887189787029175
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Energy: 0.7143940646231767
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Energy: 0.8051825273693022
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Energy: 0.8910929413856732
Energy: 0.6836116131525394
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Energy: 0.9090770808852756
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Energy: 0.6980817066377164
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Energy: 0.8811961910042353
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Energy: 0.9597609699570583
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Energy: 0.7448522038548946
Energy: 0.7015991589334571
Energy: 0.6970266271055998
Energy: 0.8594679672817783
Energy: 1.0293867379190687
Energy: 0.687953258128048
Energy: 0.6959290549886522
Energy: 0.7646333634896513
Energy: 0.9865799962733498
Energy: 1.1034364487976462
Energy: 0.7461391943447574
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Energy: 0.7470918094134869
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Energy: 0.685260611502495
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Energy: 1.1116300916984094
Energy: 0.8791778537525863
Energy: 0.7448511189941404
Energy: 0.7409657176448574
Energy: 0.926547169353622
Energy: 0.8325081881924363
Energy: 1.0758044274687415
Energy: 0.7658775962060264
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Energy: 0.9305864211136926
Energy: 0.8964074376726381
Energy: 0.8115994285427715
Energy: 0.8386890735758751
Energy: 0.7371219758715954
Energy: 0.7436769566165635
Energy: 0.9974314193667879
Energy: 0.7159491666027318
Energy: 0.7753091543482732
Energy: 0.7276559656003736
Energy: 0.6695823629996397
Energy: 1.0730498784723883
Energy: 0.717479382502343
Energy: 0.725431529804676
Energy: 0.751179349267715
Energy: 0.9011382638949204
Energy: 0.8411878557918729
Energy: 0.7107799266192669
Energy: 0.8660201654426111
Energy: 0.7364305928516295
Energy: 0.8866311761791199
Energy: 0.8030768332230586
Energy: 0.7025396693101217
Energy: 0.7502897526393068
Energy: 0.7817430317162838
Energy: 0.710038848924584
Energy: 0.9223805029018383
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Energy: 0.7217833528932498
Energy: 0.748612488391775
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Energy: 0.8961677393100476
Energy: 0.7259325026685665
Energy: 0.7228548087897794
Energy: 0.680826006480849
Energy: 0.9126713011525543
Energy: 0.8236767601473065
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Energy: 0.7609988811720225
Energy: 0.6988143086632234
Energy: 0.7946645519551111
Energy: 0.7816415763380814
Energy: 0.8027276392283665
Energy: 0.8205235995647832
Energy: 0.7119662555004587
Energy: 0.7050440417145892
Energy: 0.7879588807286477
Energy: 0.812370760146433
Energy: 0.7636622894096617
Energy: 0.7461474093256432
Energy: 0.7064557708499175
Energy: 0.7941992012659419
Energy: 0.7916998325004537
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Energy: 0.7881812160445992
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Energy: 0.7259141377387428
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Energy: 0.7630782960456604
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Energy: 0.8454446919984661
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Energy: 0.8028205275249465
Energy: 0.7514506186847315
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Energy: 0.7159438528796335
Energy: 0.8303968949897106
Energy: 0.6971121588906593
Energy: 0.988192741532593
Energy: 0.6720997500525032
Energy: 0.7209222237282685
Energy: 0.8815307747970904
Energy: 0.7712574993808753
Energy: 0.8187125018745061
Energy: 0.6725912874173191
Energy: 0.7165546745509834
Energy: 0.7566282245459109
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Energy: 0.8320949778863351
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Energy: 0.8020626343376883
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Energy: 0.7791565940150618
Energy: 0.7153068610814034
Energy: 0.7385472062694829
Energy: 0.8000509023499898
Energy: 0.7286163723521986
Energy: 0.7441176801722486
Energy: 1.0702842252038138
Energy: 0.7556945749026512
Energy: 0.7374614170048618
Energy: 0.745759549346456
Energy: 0.907052056449014
Energy: 0.9676866080828135
Energy: 0.7257126247582174
Energy: 0.7342753284174437
Energy: 0.7145405167710022
Energy: 0.9750254396824328
Energy: 0.7972395590718375
Energy: 0.714664337393859
Energy: 0.7328852133635178
Energy: 0.8409001205586334
Energy: 0.903202120248665
Energy: 0.7835706808858907
Energy: 0.6864033681480997
Energy: 0.7678233880704437
Energy: 0.880638136472874
Energy: 0.822393154071306
Energy: 0.9780669491110202
Energy: 0.7061219484847626
Energy: 0.7486270758470259
Energy: 0.8876500524045086
Energy: 0.8346990293074193
Energy: 0.9856424036372368
Energy: 0.765872726583366
Energy: 0.742077969263128
Energy: 0.8212046486180562
Energy: 0.6898291083649513
Energy: 0.7418283926977615
Energy: 0.7377036851178601
Energy: 0.7278681126371023
Energy: 0.8087346580086855
Energy: 0.6590273659388612
Energy: 0.7349552624392242
Energy: 0.7211691509011051
Energy: 0.7523156846337276
Energy: 0.9557984419282763
Energy: 0.8864209229834885
Energy: 0.6851573843618325
Energy: 0.6999839786451689
Energy: 1.1184347339748553
Energy: 1.010153627132722
Energy: 0.9356678408808334
Energy: 0.7347117193650542
Energy: 0.7215367627835624
Energy: 1.0074560223697109

minimum gb energy = 0.653360517909836 eV
minimum distance =  1.8753789819018 Angstroms
sigma value = 185


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

Energy: 0.6433974028586092
Energy: 0.8993152353439396
Energy: 1.0566096171799009
Energy: 1.0096205669902152
Energy: 0.43109701392721433
Energy: 0.43085027943412363
Energy: 0.6665267180906839
Energy: 1.0106532509591475
Energy: 1.002708704332664
Energy: 0.5391785009605112
Energy: 0.5959447958108144
Energy: 0.9244416811712723
Energy: 1.6303858989241375
Energy: 0.6876031414892624
Energy: 0.3718253502988983
Energy: 0.424656795625675
Energy: 0.9017328758482072
Energy: 0.8434069341650772
Energy: 0.7892768242462535
Energy: 0.4975246846351963
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Energy: 0.6687865984845788
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Energy: 0.4407616456904384
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Energy: 1.0072683547734704
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Energy: 0.48821504974639957
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Energy: 0.9251850950841094
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Energy: 0.7681873349900006
Energy: 0.46651079200259976
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Energy: 0.9384557065247077
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Energy: 0.8423387199344463
Energy: 0.9045106867405225
Energy: 1.0234764304479194
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Energy: 0.973344415392586
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Energy: 0.7798839654279046
Energy: 0.94765032942997
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Energy: 0.9967210149709309
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Energy: 0.8623299528563505
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Energy: 0.6093622121189722
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Energy: 0.9371253002834752
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Energy: 0.43506863095548154
Energy: 0.43511523593715645
Energy: 1.0039743866011965
Energy: 1.046994245667241
Energy: 1.1420152536738417
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Energy: 1.0067869569623347
Energy: 0.8482655847343463
Energy: 0.7965109592180308
Energy: 0.4114278276931687
Energy: 0.68267207055948
Energy: 0.863319666631824
Energy: 1.2693680498256925
Energy: 0.7199548672322286
Energy: 0.45578462445999074
Energy: 0.7904368863108093
Energy: 0.8726234964146315
Energy: 0.9663264773924132
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Energy: 0.455345693923308
Energy: 0.9242788417619683
Energy: 0.977617465607633
Energy: 1.0042771935931434
Energy: 0.42755188046723447
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Energy: 0.9564889223209806
Energy: 0.9875489989277356
Energy: 0.9954468755504132
Energy: 0.47079811785949555
Energy: 0.47663159266348915
Energy: 0.7957932093670226
Energy: 1.404167245428421
Energy: 0.8919148837633337
Energy: 0.4533456276369334
Energy: 0.4552451756067076
Energy: 0.8754634312374223
Energy: 1.090659600564649
Energy: 0.7347200188548424
Energy: 0.43269184252009174
Energy: 0.5787681948650348
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Energy: 1.0331956707906298
Energy: 0.6432683699386024
Energy: 0.42865314220371226
Energy: 0.751680408926257
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Energy: 0.9689252982488527
Energy: 0.9668824239562317
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Energy: 0.9712742031430462
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Energy: 0.4533217588908929
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Energy: 0.42821399715200414
Energy: 0.45321677581147407
Energy: 0.6904280465631146
Energy: 1.2349658082841337
Energy: 0.7423945065957972
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Energy: 0.9711409424963694
Energy: 1.0471387082508672
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Energy: 1.0461465796025116
Energy: 0.8017317001183659
Energy: 0.44198962075188164
Energy: 0.7047130177480407
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Energy: 0.76280584468913
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Energy: 0.9603533209886975
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Energy: 0.7374983365778094
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Energy: 1.0154560711702845
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Energy: 0.9874220434469568
Energy: 1.0183332501432942
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Energy: 1.0307292714746634
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Energy: 1.0802649872700187
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Energy: 0.9147194209649645
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Energy: 0.9583812341290636
Energy: 0.7227981680821745
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Energy: 0.5678019451494869
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Energy: 0.9598250185693584
Energy: 0.43421113809359535
Energy: 0.43809193732172175
Energy: 0.749043001485995
Energy: 1.139696852791638
Energy: 0.9883339585804559
Energy: 0.4600826989465384
Energy: 0.4600993439843785
Energy: 0.8541161748405592
Energy: 1.0564127933523237
Energy: 0.6244261284402907
Energy: 0.42021839548597856
Energy: 0.40985250479656044
Energy: 0.9964135765174835
Energy: 0.8460609775120463
Energy: 0.6541745933345515
Energy: 0.5475430839949593
Energy: 0.6108405538410417
Energy: 1.05555826710403
Energy: 0.8532006627578897
Energy: 0.7853133301457282
Energy: 0.46601185197000633
Energy: 0.7848256668946682
Energy: 0.9778168768921572
Energy: 0.9633297623862348
Energy: 0.8026258009243095
Energy: 0.4671146887271553
Energy: 0.6919074865277428
Energy: 0.9824143235498315
Energy: 0.9781165816969623
Energy: 0.44526448148142184
Energy: 0.4377954811962257
Energy: 0.7154120702391497
Energy: 1.0056474771644826
Energy: 1.06812481067949
Energy: 0.4726897943238541
Energy: 0.4725841337543698
Energy: 0.8670655292141569
Energy: 1.0690709460228296
Energy: 0.7486638028351281
Energy: 0.4364376769842463
Energy: 0.5234157569326922
Energy: 1.1086975627503255
Energy: 1.352098983856167
Energy: 0.6781167152459664
Energy: 0.38784059844341345
Energy: 0.6047020333714107
Energy: 1.0688352801329255
Energy: 1.050383335650938
Energy: 0.6533058655479853
Energy: 0.532953728825242
Energy: 0.8303460562857806
Energy: 1.0191460253891964
Energy: 0.9488564002531575
Energy: 0.6388720615404344
Energy: 0.4338055939755275
Energy: 0.6427822444642146
Energy: 0.9801086868266221
Energy: 0.9953539574337813
Energy: 0.5200139645435689

minimum gb energy = 0.3718253502988983 eV
minimum distance =  2.41821877287044 Angstroms
sigma value = 33


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

Energy: 0.7641474896036828
Energy: 0.9895982401409474
Energy: 0.6830504309851625
Energy: 0.6881913067080544
Energy: 0.9161054173409061
Energy: 0.8423715815606663
Energy: 0.9429006582809711
Energy: 0.6808289815369969
Energy: 0.6712768985545876
Energy: 0.9178314164980275
Energy: 1.00580556010456
Energy: 0.774476056853549
Energy: 0.6762898927657635
Energy: 0.7746167283268598
Energy: 0.8026143451623378
Energy: 0.9609942428142072
Energy: 0.7217675440070322
Energy: 0.6665010324774959
Energy: 0.658523893800884
Energy: 0.6464496397913851
Energy: 0.7975296423727236
Energy: 0.660939701555159
Energy: 0.6520559916855471
Energy: 0.9866428052519454
Energy: 0.8590443940055911
Energy: 0.7193483213267129
Energy: 0.6560538313874639
Energy: 0.6744843986545327
Energy: 1.0112760375911427
Energy: 0.8791043389661333
Energy: 0.8990536048322834
Energy: 0.645699848873177
Energy: 0.8384070538355063
Energy: 1.0491768898162088
Energy: 0.9239376564700689
Energy: 0.8895773048299751
Energy: 0.6375666771907337
Energy: 0.6860697369468667
Energy: 1.090511097672724
Energy: 0.8389790842016922
Energy: 0.7536980121036889
Energy: 0.6785346505327131
Energy: 0.6468073713181292
Energy: 0.6604062979246692
Energy: 0.8902119587028962
Energy: 0.6734258413489389
Energy: 0.7179861872895389
Energy: 0.6591240600198135
Energy: 0.6614539479760503
Energy: 0.8235411440781262
Energy: 0.6889700524058845
Energy: 0.7069703792908866
Energy: 0.7121689614146832
Energy: 0.7539643376403962
Energy: 0.9023167863586266
Energy: 0.6914969770001874
Energy: 0.7023915648705394
Energy: 0.9098100092781221
Energy: 0.7810230127742355
Energy: 0.9469406253950031
Energy: 0.6671299292832306
Energy: 0.7162552303069072
Energy: 0.8016478349395637
Energy: 0.9206856917910364
Energy: 0.9133482823746315
Energy: 0.6668606275512288
Energy: 0.6601175603546283
Energy: 0.8061687574197172
Energy: 0.8003031757269067
Energy: 0.897179105006797
Energy: 0.6484677005863327
Energy: 0.6847609460577896
Energy: 0.748870098523732
Energy: 0.9884303666153865
Energy: 0.6548276344814076
Energy: 0.6721404961846305
Energy: 0.7017688578696609
Energy: 0.8591797408934748
Energy: 0.8722482741011088
Energy: 0.6454969643513041
Energy: 0.6452235160560624
Energy: 0.7373501601463275
Energy: 0.7091239838967421
Energy: 0.7521132216163434
Energy: 0.7018927538252486
Energy: 0.7075152495029604
Energy: 0.7418783309143394
Energy: 0.6850451970559561
Energy: 0.8019630523975958
Energy: 0.7180708172965156
Energy: 0.6224634887763604
Energy: 0.7999426667667348
Energy: 0.939249826765985
Energy: 0.8378813899189523
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Energy: 1.0731300760305549
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Energy: 0.7001264368278535
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Energy: 0.670384107116672
Energy: 0.6933394618785194
Energy: 0.8666351370114416

minimum gb energy = 0.6224634887763604 eV
minimum distance =  1.88238718286289 Angstroms
sigma value = 219


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

Energy: 0.9363826136498935
Energy: 0.968965348904942
Energy: 0.8038318496539935
Energy: 0.7983035932560217
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Energy: 0.8488731464692406
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Energy: 0.7476851628742056
Energy: 0.8491237779013691
Energy: 0.8955485526481142
Energy: 0.7452025361268835
Energy: 0.8357784829247868
Energy: 0.8607908361495663
Energy: 0.7132150285150752
Energy: 0.7756733510239749
Energy: 0.8395696384094098
Energy: 0.7634402123977211
Energy: 0.8807188714032714
Energy: 0.717755880720576
Energy: 0.8243022973785963
Energy: 0.8551236590195757
Energy: 0.7646704564990033
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Energy: 0.8228983275553983
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Energy: 0.7530158829773095
Energy: 1.0183544131296454
Energy: 0.9115947138011363
Energy: 0.8076234620398137
Energy: 0.7578414513147712
Energy: 0.7807141829411822
Energy: 1.0310780439491454

minimum gb energy = 0.7132150285150752 eV
minimum distance =  1.91896195891188 Angstroms
sigma value = 15


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

Energy: 1.1030957938728603
Energy: 0.9307147935391619
Energy: 0.8860898250216646
Energy: 0.8408501903905578
Energy: 0.7980345051498952
Energy: 0.8536070683765843
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Energy: 0.8862797307350806
Energy: 0.7676538392385649
Energy: 0.779788150465862
Energy: 0.8456416133855724
Energy: 0.8624447387739761
Energy: 0.835809750451813
Energy: 0.8134877197310084
Energy: 0.8102453039595625
Energy: 0.7766078993918504
Energy: 0.8467954382963631
Energy: 0.8361841925495115
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minimum gb energy = 0.747207304210727 eV
minimum distance =  1.8828840555531 Angstroms
sigma value = 293


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

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Energy: 0.7976283396435047
Energy: 0.8585725773864263
Energy: 0.7617706083939475
Energy: 0.806040795124719
Energy: 0.7948818323273684
Energy: 0.7508181803500994
Energy: 0.8630831279227837
Energy: 0.8326281278267346
Energy: 0.7742726282886394
Energy: 0.8125551396167543
Energy: 0.7549193194605044
Energy: 0.890557920403465
Energy: 0.7933457633808981
Energy: 0.8197888388923117
Energy: 0.8187122080106026
Energy: 0.7865367425112382
Energy: 0.7762313123188475
Energy: 0.8453212145340816
Energy: 0.7839592552116948
Energy: 0.9110939457305117
Energy: 0.7867049219621126
Energy: 0.776958187408971
Energy: 0.941144585715415
Energy: 0.7914479874268909
Energy: 0.7468321743192244
Energy: 0.8578956488286011
Energy: 0.8522208994394288
Energy: 0.8048822262274979
Energy: 0.8116066700826384
Energy: 0.7586142019211433
Energy: 0.8508807227777799
Energy: 0.8226728501086008
Energy: 0.8058629059067156
Energy: 0.8107704958923754
Energy: 0.7998910235650785
Energy: 0.9730513428802777
Energy: 0.8115907148364606
Energy: 0.8292437698205567
Energy: 0.8832236833537989
Energy: 0.7929988714423268
Energy: 0.8877052162495501
Energy: 0.7899271165900371
Energy: 0.8367888090673288
Energy: 0.931664778545881
Energy: 0.7886381864487253
Energy: 0.8820003367260841
Energy: 0.7883768383512904
Energy: 0.7941539069145364
Energy: 0.8343153741267115
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Energy: 0.7774072735408846
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Energy: 0.9135562210542064
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Energy: 0.8340192370866283
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Energy: 0.8661784809599524
Energy: 0.8181625167880563
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Energy: 0.7482967692662287
Energy: 0.8180349163624224
Energy: 0.8246453027029451
Energy: 0.836788268866037
Energy: 0.8814957328690648
Energy: 0.8092735678846403
Energy: 0.7376512641579543
Energy: 0.8212528423070778
Energy: 0.8227888133846311
Energy: 0.8109102445710863
Energy: 0.8073229230851328
Energy: 0.7536253588108194
Energy: 0.7788285092661013
Energy: 0.7709753466312971
Energy: 0.9291764342939447
Energy: 0.98768997866042
Energy: 0.8492769831913096
Energy: 0.9034579788715158
Energy: 0.7933560785621078
Energy: 0.9199334440396673
Energy: 0.859124295536461
Energy: 0.8183495421151717
Energy: 0.8537107256061555
Energy: 0.7862642276984321
Energy: 0.8375488156185762
Energy: 0.8663388184474206
Energy: 0.7566634143399565
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Energy: 0.7829703356644468
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Energy: 0.7470681366293284
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Energy: 0.772699722668255
Energy: 0.8066056480059922
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Energy: 0.8581004834041729
Energy: 0.7904302368600499
Energy: 0.7778348436284931
Energy: 0.8066909389017048
Energy: 0.8424108349421517
Energy: 0.80264927570228
Energy: 0.7737350012335987
Energy: 0.8118204279718374
Energy: 0.8363638374401864
Energy: 0.7308354870180239
Energy: 0.8681007486250902
Energy: 0.8903768265286545
Energy: 0.9543493957454072
Energy: 0.7991449422031125
Energy: 0.7313821326809494
Energy: 0.9222637210039576
Energy: 0.8283356497115939
Energy: 0.8088281950463155
Energy: 0.8420100403394829
Energy: 0.8384797333766358
Energy: 0.7998981791297559
Energy: 0.7900290172434895
Energy: 0.8156157132251612
Energy: 0.8770383456888156
Energy: 0.9312698070158003
Energy: 0.7839674935714227
Energy: 0.7805410430710138
Energy: 0.7456300247912939
Energy: 0.797469826537842
Energy: 0.8434499514614483
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Energy: 0.8477633746720837
Energy: 0.8086732311630418
Energy: 0.8173381212319641
Energy: 0.8223962955411782
Energy: 0.7998850365164348
Energy: 0.897853856768192
Energy: 0.8259117876551529
Energy: 0.7899087684865117
Energy: 0.8736853628903245
Energy: 0.7960070156910883
Energy: 0.9187904146664009
Energy: 0.818820777661516
Energy: 0.798878252981757
Energy: 0.8309946701511267
Energy: 0.9071784436986015
Energy: 0.7510341877710628
Energy: 0.8299269056069062
Energy: 0.8287456496134659
Energy: 0.8832208001546964
Energy: 0.8744206210557074
Energy: 0.7506996241062049
Energy: 0.7771661029068608
Energy: 0.8901268399476869
Energy: 0.7946071890474644
Energy: 0.7873743213693466
Energy: 0.8268518869747957
Energy: 0.783004522960885
Energy: 0.7603087202694673
Energy: 0.8059719183986083
Energy: 0.793882773549518
Energy: 0.8712316167556121
Energy: 0.7940699387559772
Energy: 0.797368302162419
Energy: 0.8366952417652816
Energy: 0.7449495725068622
Energy: 0.9097451631179252
Energy: 0.7748043698329238
Energy: 0.7747018630701418
Energy: 0.7810634710095781
Energy: 0.7729780444492595
Energy: 0.8846481581154922
Energy: 0.7695158894736205
Energy: 0.7733206040292377
Energy: 0.8623666573629007
Energy: 0.8552270093907772
Energy: 0.9954165809936598
Energy: 0.9056396544305415
Energy: 0.7671114542604356
Energy: 0.8649771984110447
Energy: 0.8283252635373427
Energy: 0.9140525751294781
Energy: 1.135380344392005
Energy: 0.7923783999216668
Energy: 0.846886511494171
Energy: 0.7500372908992119
Energy: 0.8661741322465233
Energy: 0.7888324450929388
Energy: 0.8812884982890986
Energy: 0.7743577628719901
Energy: 0.7540843999879651
Energy: 0.8280732057216512
Energy: 0.786198443351061
Energy: 0.821072600963818
Energy: 0.8162195318991894
Energy: 0.7914547416132282
Energy: 0.7626382380589302
Energy: 0.8666263199167709
Energy: 0.8079401411323957
Energy: 0.8039419884357704
Energy: 0.7802965007097807
Energy: 0.795740703193609
Energy: 0.8594908924452639
Energy: 0.8522873449723046
Energy: 0.7844347672750855
Energy: 0.870633618206939
Energy: 0.8686076041887208
Energy: 0.7917077255420383
Energy: 0.8065853181219935
Energy: 0.77720411030025
Energy: 0.8524916647013534
Energy: 0.855081160453197
Energy: 0.7820043712859187
Energy: 0.7536032963495278

minimum gb energy = 0.7140746645092957 eV
minimum distance =  1.89106953710048 Angstroms
sigma value = 293


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

Energy: 0.7213168463560607
Energy: 0.7644953418091143
Energy: 0.816429240625946
Energy: 0.8178644975750321
Energy: 0.750014775202468
Energy: 0.7217635062539952
Energy: 0.714158074939651
Energy: 0.8192841411513407
Energy: 0.8001944945430922
Energy: 0.7497657897749644
Energy: 0.7657209343714573
Energy: 0.8142455766258949
Energy: 0.7488995922794353
Energy: 0.7848600092135859
Energy: 0.8154515679467462
Energy: 0.7442598885450478
Energy: 0.721275556154223
Energy: 0.7573243936722304
Energy: 0.7654123372516373
Energy: 0.8510297233044685
Energy: 0.7774316642048833
Energy: 0.7690723247567041
Energy: 0.7537415458267658
Energy: 0.8229914211092455
Energy: 0.7792779300486532
Energy: 0.7835467188359521
Energy: 0.7436633331371373
Energy: 0.7286565801022111
Energy: 0.8099277807369227
Energy: 0.7651635828720854
Energy: 0.7269029862360264
Energy: 0.7077864766461751
Energy: 0.706805450493455
Energy: 0.7858079131125074
Energy: 0.7030626096564978
Energy: 0.7456407802968763
Energy: 0.7090712625982346
Energy: 0.707933685831953
Energy: 1.0085094879128575
Energy: 0.748988279210066
Energy: 0.7251670049209878
Energy: 0.7575676353687194
Energy: 0.7501669816041237
Energy: 0.8135905866206427
Energy: 0.8344364086905153
Energy: 0.8416475951228276
Energy: 0.7216915467419693
Energy: 0.7250277434880399
Energy: 0.754261937980833
Energy: 0.8019076246683622
Energy: 0.8166822632370819
Energy: 0.7431085096690019
Energy: 0.7536845397812199
Energy: 0.7194753270509621
Energy: 0.7782261284810446
Energy: 0.8071437994460253
Energy: 0.7425625421304186
Energy: 0.8333850358606724
Energy: 0.80379202827894
Energy: 0.7783286756066792
Energy: 0.813734476267252
Energy: 0.7315480369247178
Energy: 0.7215531868083055
Energy: 0.7585051871024483
Energy: 0.817248587995933
Energy: 0.8483891540763248
Energy: 0.7300089235618276
Energy: 0.737361075720664
Energy: 0.7206252472504021
Energy: 0.777340108870279
Energy: 0.7600785799639923
Energy: 0.800735170018997
Energy: 0.744521617865108
Energy: 0.7589311662188298
Energy: 0.7574419347071509
Energy: 0.7561376506059374
Energy: 0.7905217796191493
Energy: 0.74771399863404
Energy: 0.7540351513351391
Energy: 0.776347776354542
Energy: 0.7291210318071554
Energy: 0.7756986151919255
Energy: 0.8372750675020987
Energy: 0.7061762698940489
Energy: 0.7187122879514621
Energy: 0.7445972575204494
Energy: 0.8006040582156684
Energy: 0.8482361253018768
Energy: 0.7061400792586879
Energy: 0.7188696578064616
Energy: 0.8526883743688632
Energy: 0.8022235510028276
Energy: 0.7577669861936188
Energy: 0.7685112245867913
Energy: 0.7593071297868501
Energy: 0.7610612807282842
Energy: 0.7700624248925835
Energy: 0.8042664215193944
Energy: 0.7194486645505235
Energy: 0.7666431017768359
Energy: 0.7070941034728928
Energy: 0.7072459974501731
Energy: 0.7259106259230168
Energy: 0.7344084711199315
Energy: 0.7190591473830491
Energy: 0.7072577766936163
Energy: 0.7866528129831064
Energy: 0.7509203966368166
Energy: 0.7289706567788957
Energy: 0.7141097372097188
Energy: 0.7214349487865159
Energy: 0.7644432577173235
Energy: 0.8118558989249015
Energy: 0.7978323258653232
Energy: 0.7504087270108074
Energy: 0.7218739808989972
Energy: 0.849163429894861
Energy: 0.8108419181741198
Energy: 0.7977915680366127
Energy: 0.7501764484621622
Energy: 0.7792381888989606
Energy: 0.7538484170856075
Energy: 0.7960142752951476
Energy: 0.8019806873645338
Energy: 0.7859366983913058
Energy: 0.7313901822422582
Energy: 0.72712913444627
Energy: 0.7576860688435022
Energy: 0.8612787059734238
Energy: 0.7482106076203018
Energy: 0.7961662471002849
Energy: 0.7688170482858081
Energy: 0.7392119657730002
Energy: 0.8120419929896466
Energy: 0.7188824676478293
Energy: 0.7739493476677762
Energy: 0.7327947856369206
Energy: 0.7611324094817479
Energy: 0.8314511871671851
Energy: 0.7187826172903158
Energy: 0.7310879577947704
Energy: 0.7080611240324522
Energy: 0.7060937685079723
Energy: 0.9609792987101279
Energy: 0.7188363081042152
Energy: 0.7130444645809613
Energy: 0.7093474100733307
Energy: 0.7245672420254997
Energy: 0.7782570940257295
Energy: 0.7191434018404234
Energy: 0.725964166735482
Energy: 0.7583249498497904
Energy: 0.7429619484742219
Energy: 0.7514854405299357
Energy: 0.8177991587055217
Energy: 0.7880523643880478
Energy: 0.7216611367952308
Energy: 0.70641282953321
Energy: 0.7469163324552192
Energy: 0.8190660949435369
Energy: 0.8180053399973922
Energy: 0.7159343333143066
Energy: 0.7326146808908098
Energy: 0.8067592051784384
Energy: 0.7767634588192933
Energy: 0.8405895161962941
Energy: 0.753205281089646
Energy: 0.7390401485358994
Energy: 0.7587853488412181
Energy: 0.7785559029402516
Energy: 0.8198988647211397
Energy: 0.7324745705700766
Energy: 0.724969888527593
Energy: 0.7204240129297641
Energy: 0.7672459468338877
Energy: 0.7195361527561813
Energy: 0.7299757943794986
Energy: 0.7309136516168531
Energy: 0.7323720003175406
Energy: 0.7592802131142733
Energy: 0.7338631586071204
Energy: 0.7778510885353704
Energy: 0.7892866407758085
Energy: 0.7543156107663401
Energy: 0.758695925937589
Energy: 0.8595579853784895
Energy: 0.800010007848813
Energy: 0.7549301615231424
Energy: 0.7503691660132162
Energy: 0.7769475467822217
Energy: 0.7261398798673949
Energy: 0.775784231277415
Energy: 0.801217792368148
Energy: 0.7060332064134184
Energy: 0.7085609300339288
Energy: 0.7358046845032503
Energy: 0.8438578748020236
Energy: 0.832836913411742
Energy: 0.7106937689756321
Energy: 0.744062327904762
Energy: 0.7247210114425225
Energy: 0.8196432357784901
Energy: 0.7218415559666093
Energy: 0.7586027303752749
Energy: 0.7425493839235546
Energy: 0.7636045063665274
Energy: 0.8102087314627352
Energy: 0.8042434690085586
Energy: 0.7577398403121499
Energy: 0.7245455557702569
Energy: 0.7076359535436089
Energy: 0.7747055273572251
Energy: 0.8736619717471754
Energy: 0.7812300114447827
Energy: 0.7292417614108335
Energy: 0.7078573688493908
Energy: 0.8030636734508745
Energy: 0.7488273129400635
Energy: 0.7425435476580339
Energy: 0.7144081140973441

minimum gb energy = 0.7030626096564978 eV
minimum distance =  1.88550931712391 Angstroms
sigma value = 15


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

Energy: 1.1884637604475865
Energy: 0.8573082524358899
Energy: 0.832429764407528
Energy: 0.7964094815649436
Energy: 0.7853225358060495
Energy: 0.8048424515348584
Energy: 0.8297904233017694
Energy: 0.8321094636945415
Energy: 0.774844485107568
Energy: 0.7622730261416609
Energy: 0.8038019447968757
Energy: 0.8310186562732294
Energy: 0.7479783019451903
Energy: 0.7532701190302256
Energy: 0.8335773592414507
Energy: 0.7707222371281587
Energy: 0.8821895041549007
Energy: 0.7350855075777588
Energy: 0.849967823699364
Energy: 0.852367983058927
Energy: 0.7944608593373849
Energy: 0.8137057958716506
Energy: 0.8212810388407593
Energy: 0.7735009411899376
Energy: 0.7633152551147008
Energy: 0.7836891009464073
Energy: 0.8140665536475121
Energy: 0.8485987334616691
Energy: 0.7783362141612143
Energy: 0.7572796320867415
Energy: 0.8013148580252558
Energy: 0.7659039399290456
Energy: 0.7431506115652675
Energy: 0.8018345492885672
Energy: 0.7576355321585407
Energy: 0.7953697449442914
Energy: 0.7731474780514032
Energy: 0.7445803647302266
Energy: 0.8118362449925931
Energy: 0.767853020137589
Energy: 0.7962330217155428
Energy: 0.8086988827034828
Energy: 0.7591340043036123
Energy: 0.7764508612228088
Energy: 0.8153850566176801
Energy: 0.8196495835765149
Energy: 0.766392641093418
Energy: 0.7604909211439203
Energy: 0.7783344178038825
Energy: 0.7521156844453354
Energy: 0.7756609531837982
Energy: 0.8061494512221749
Energy: 0.8156383944961292
Energy: 0.8274973153059666
Energy: 0.7431818883325079
Energy: 0.8005231925298817
Energy: 0.846965536098146
Energy: 0.8225630016833777
Energy: 0.8122790797865482
Energy: 0.7383733714886057
Energy: 0.7593437508179743
Energy: 0.7283226684722631
Energy: 0.7775111801000795
Energy: 0.7949776596022428
Energy: 0.8041828430753124
Energy: 0.7628213305534856
Energy: 0.7399973609054633
Energy: 0.7735015514144419
Energy: 0.7962211489370933
Energy: 0.8443113910149235
Energy: 0.816645786018556
Energy: 0.8457403464143428
Energy: 0.8589164642212477
Energy: 0.7590533530978123
Energy: 0.7961873799899057
Energy: 0.8244507743799087
Energy: 0.8287562787739977
Energy: 0.7791881491753576
Energy: 0.7409700448812049
Energy: 0.8730566220800604
Energy: 0.7541955354039447
Energy: 0.7488741553754391
Energy: 0.8330198730153736
Energy: 0.745692487958725
Energy: 0.767625928466074
Energy: 0.7444472783661955
Energy: 0.7649945707103344
Energy: 0.8441297357895948
Energy: 0.7401973838586091
Energy: 0.7748273869009291
Energy: 0.8472608572988823
Energy: 0.726287025191783
Energy: 0.8101998013931068
Energy: 0.7797436295678781
Energy: 0.769192949930072
Energy: 0.7426189816456314
Energy: 0.749896602777394
Energy: 0.8280328408838347
Energy: 0.7531754973559317
Energy: 0.8142461751024733
Energy: 0.7710039064815627
Energy: 0.8014039697229819
Energy: 0.8022655416549913
Energy: 0.7658040316647937
Energy: 0.752562928681862
Energy: 0.7538499008428418
Energy: 0.7869610922051549
Energy: 0.7934970186942648
Energy: 0.752593306536536
Energy: 0.7713128053940598
Energy: 0.7998433033842743
Energy: 0.8126650334402524
Energy: 0.8079545841009828
Energy: 0.8354784813174057
Energy: 0.8031910894882655
Energy: 0.8085309106697469
Energy: 0.8127639762568077
Energy: 0.7844804474724973
Energy: 0.839919479731986
Energy: 0.809186529344271
Energy: 0.7774136506101008
Energy: 0.7816803671310456
Energy: 0.7801155904078243
Energy: 0.8230240759899989
Energy: 0.8170377605920854
Energy: 0.8107395741056516
Energy: 0.7834882428725047
Energy: 0.7957580578125273
Energy: 1.0082400497463149
Energy: 0.846034629494329
Energy: 0.7267981467597611
Energy: 0.8131908933153181
Energy: 0.8262922888404574
Energy: 0.812710996668594
Energy: 0.8061749295616697
Energy: 0.7177795526618473
Energy: 0.8620747420022121
Energy: 0.7653114924065387
Energy: 0.8154987447121835
Energy: 0.7725398787602629
Energy: 0.7700863772599248
Energy: 0.7734458699875905
Energy: 0.8660553598800687
Energy: 0.7895719141110764
Energy: 0.8194720325067089
Energy: 0.7674679146593669
Energy: 0.767503565629413
Energy: 0.7809233467847491
Energy: 0.7748195004930886
Energy: 0.8344994637137227
Energy: 0.9332536068089465
Energy: 0.7795280062286511
Energy: 0.7570185384240679
Energy: 0.8639103476761513
Energy: 0.7328819795394447
Energy: 0.9103345646115772
Energy: 0.7806118354725122
Energy: 0.7636618411256497
Energy: 0.8063773372384532
Energy: 0.7328238528136952
Energy: 0.7686747553635584
Energy: 0.7794012977872123
Energy: 0.8061753920100806
Energy: 0.9128365324846321
Energy: 0.7514946346918283
Energy: 0.7697428428291174
Energy: 0.7865798277801295
Energy: 0.800121295593417
Energy: 0.9148772220424523
Energy: 0.7598637566939018
Energy: 0.8111520745639162
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Energy: 0.8216889402683417
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Energy: 0.7800728574444191
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Energy: 0.798995916663609
Energy: 0.8784869879327518
Energy: 0.79468108750754
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Energy: 0.8863911454826371
Energy: 0.7556102904027233
Energy: 0.7382539710557059
Energy: 0.7721694096768801
Energy: 0.8864874074856056
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Energy: 0.7724537444108762
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Energy: 0.7623278873594964
Energy: 0.7936714157622834
Energy: 0.7988283244841502
Energy: 0.8313453681561277
Energy: 0.7851864719120838
Energy: 0.7580863964171414
Energy: 0.8027910762737914
Energy: 0.7967019104025298
Energy: 0.7789303199447428
Energy: 0.7725087613435841
Energy: 0.8081767746104738
Energy: 0.7903820164215484
Energy: 0.7569769286485453
Energy: 0.7565612288510949
Energy: 0.7892022492138753
Energy: 0.8090607705268793
Energy: 0.8191385157863977
Energy: 0.751427926706903
Energy: 0.7542969849232437
Energy: 0.8077581174334802
Energy: 0.7822592241798099
Energy: 0.8008945464695993
Energy: 0.8599107495577214
Energy: 0.7792515041427641
Energy: 0.8146743206532863
Energy: 0.8400538574005648
Energy: 0.8154931253491726
Energy: 0.8405778366410311
Energy: 0.7855881769469428
Energy: 0.7494595121567031
Energy: 0.7758259707737429
Energy: 0.7841050421995363
Energy: 0.7386511890997798
Energy: 0.8515099009342504
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Energy: 0.8631271175948035
Energy: 0.7665153339852047
Energy: 0.8180371512293749
Energy: 0.7979456119578261
Energy: 0.7516161594827868
Energy: 0.8072862572853254
Energy: 0.761782074394724
Energy: 0.7636458051769065
Energy: 0.8041271008872227
Energy: 0.7245891246023867
Energy: 1.0455850829078701
Energy: 0.7260864746696787
Energy: 0.7810058958499941
Energy: 0.821267623952684
Energy: 0.7481016993769503
Energy: 0.7659326361778485
Energy: 0.7830167394293606
Energy: 0.8003475949893651
Energy: 0.8031370953845075
Energy: 0.7520294472256273
Energy: 0.7710795064844662
Energy: 0.8414821927076777
Energy: 0.7925087738019994
Energy: 0.8250935664973948
Energy: 0.9570455347998642
Energy: 0.9797918486189433
Energy: 0.7708999963277122
Energy: 0.9043871445261289
Energy: 0.7477306037761471
Energy: 0.8607001686728579
Energy: 0.7523595704552853
Energy: 0.7598939801194287
Energy: 0.8114119496025998
Energy: 0.740868476114024
Energy: 0.7944479618592231
Energy: 0.8627821533949951
Energy: 0.8015041937745168
Energy: 0.8938705863178136
Energy: 0.7565098410379384
Energy: 0.791200739842764
Energy: 0.7961678633942502
Energy: 0.8469096685955985
Energy: 0.8839131919806265
Energy: 0.780417874773598
Energy: 0.8144654752158371
Energy: 0.8593148636683252
Energy: 0.8821198561351311
Energy: 0.8437978521739149
Energy: 0.7959796202416172
Energy: 0.8114899755235838
Energy: 0.7896856471802078
Energy: 0.7866303804610933
Energy: 0.8501101514841191
Energy: 0.7945832693810663
Energy: 0.8212689544656216
Energy: 0.8399499350967538
Energy: 0.7928409988287586
Energy: 0.7326169925996294
Energy: 0.7619072271865466
Energy: 0.8153101865093646
Energy: 0.814017724463138
Energy: 0.7693180434711694
Energy: 0.7471384637637165
Energy: 0.7752876901486851
Energy: 0.7576800250250741
Energy: 0.7339648708455057
Energy: 0.8507324818773331
Energy: 0.7910947223352646
Energy: 0.7966082061607981
Energy: 0.7543973830721744
Energy: 0.7481326338751408
Energy: 0.8214775258829913
Energy: 0.7856306865834698
Energy: 0.7947981755522686
Energy: 0.7960756915263215
Energy: 0.7335516897201846
Energy: 0.913808872999308
Energy: 0.7337203737920713
Energy: 0.7930666692431423
Energy: 0.7869902800953992
Energy: 0.7426149524899244
Energy: 0.8536957401891692
Energy: 0.7372208748755351
Energy: 0.8331489364323379
Energy: 0.8585713846836506
Energy: 0.7892197944781026
Energy: 0.8420565872842123
Energy: 0.7425056815172852
Energy: 0.7687719396888067
Energy: 0.8653092716005149
Energy: 0.788161837386454
Energy: 0.8006899863992847
Energy: 0.748222741875507
Energy: 0.7788422899900052
Energy: 0.7695102665440241
Energy: 0.7315781741943804
Energy: 0.8352502979453232
Energy: 0.8154860625628099
Energy: 0.7641104427567206
Energy: 0.7508949125900876
Energy: 0.7431534253831401
Energy: 0.8281993002892166
Energy: 0.8333004082614008
Energy: 0.7832121995436901
Energy: 0.8460705632230933
Energy: 0.8822203415190824
Energy: 0.7884778664310798
Energy: 0.7651929701510164
Energy: 0.8190408756434007
Energy: 0.8323597016503624
Energy: 0.8569481613686148
Energy: 0.7482018371154586
Energy: 0.7675251531064444
Energy: 0.8332942180031789
Energy: 0.7391877393302654
Energy: 0.8936077262494269
Energy: 0.7966256040515335
Energy: 0.7643588704908086
Energy: 0.7911012090489375
Energy: 0.7157521484125247
Energy: 0.8251557483597749
Energy: 0.7601070382312982
Energy: 0.8153637486278592
Energy: 0.7970240140809385

minimum gb energy = 0.7157521484125247 eV
minimum distance =  1.90937304190742 Angstroms
sigma value = 437


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

Energy: 0.9229345262735437
Energy: 0.8210543213760718
Energy: 0.8784057636310849
Energy: 0.8606054794642913
Energy: 1.0748634754258553
Energy: 0.9150514771145364
Energy: 0.879039895380099
Energy: 0.8772371759792768
Energy: 0.8073119986361981
Energy: 0.8444989993825913
Energy: 0.8869677133728642
Energy: 0.9290970056043553
Energy: 0.6633404948842089
Energy: 0.7692596490559759
Energy: 1.0553416073249222
Energy: 0.9025587416608756
Energy: 0.9216393817673528
Energy: 0.6851228594043268
Energy: 0.8641718211275101
Energy: 0.910708882164648
Energy: 0.6927594038563034
Energy: 0.8186862139434399
Energy: 0.7696068238914413
Energy: 0.7501528158462133
Energy: 0.7004405831603897
Energy: 0.7080326543504785
Energy: 0.8147417636523766
Energy: 0.7191423690218695
Energy: 0.7393971222191636
Energy: 0.6675396561768643
Energy: 0.7372521702987811
Energy: 0.8133806984433031
Energy: 0.7415348448727944
Energy: 0.7479472511640237
Energy: 0.680343710164841
Energy: 0.7807404293133546
Energy: 0.772932274322715
Energy: 0.7673438008470798
Energy: 0.78209329729613
Energy: 0.6940345488040524
Energy: 0.8774824086607019
Energy: 0.7954710939489582
Energy: 0.7728574116508743
Energy: 0.7066636258428705
Energy: 0.7422488315033043
Energy: 0.8476714107864106
Energy: 0.8227401740640856
Energy: 0.7559702438865193
Energy: 0.8526472809774531
Energy: 0.7353720741629954
Energy: 0.7817547335541387
Energy: 0.8371795778347909
Energy: 0.821218387022743
Energy: 1.0038502346215887
Energy: 0.7127729415213546
Energy: 0.78779827153129
Energy: 0.7529759459243072
Energy: 0.7819854664517657
Energy: 0.908041116169292
Energy: 0.7099846101243253
Energy: 0.8477154105609156
Energy: 0.7049982131369115
Energy: 0.7230232841408966
Energy: 0.8222361117634986
Energy: 0.9025065194570935
Energy: 0.7711214035519884
Energy: 0.6877998044049464
Energy: 0.7503699176983987
Energy: 0.8329918266907024
Energy: 0.8410075356005323
Energy: 0.7993064005108294
Energy: 0.7928811632794327
Energy: 0.8087540532274792
Energy: 0.7293887073983341
Energy: 0.706561552529247
Energy: 0.7695857169273145
Energy: 0.7197268376802509
Energy: 0.7991393805009911
Energy: 0.7052412952929246
Energy: 0.7238896476795117
Energy: 0.8548696099193304
Energy: 0.737146254860886
Energy: 0.7635857914100747
Energy: 0.7077956363161371
Energy: 0.7520182443794406
Energy: 0.8325858174483388
Energy: 0.7258553529801692
Energy: 0.8127754865477671
Energy: 0.7574795093867749
Energy: 0.7698767983531988
Energy: 1.0070271486090003
Energy: 0.7377341767674166
Energy: 0.7742686841714103
Energy: 0.7399557696475428
Energy: 0.7753535546340341
Energy: 0.83957948865614
Energy: 0.7375735496828556
Energy: 0.839972627919809
Energy: 0.7166139370357791
Energy: 0.7644569613153093
Energy: 0.6967024079565265
Energy: 0.7969421419359157
Energy: 0.7882923148972225
Energy: 0.7048948811087207
Energy: 0.7705740360175957
Energy: 0.7157519176696356
Energy: 0.7395353498373733
Energy: 0.8053316596930337
Energy: 0.7012031561779812
Energy: 0.7844783587938526
Energy: 0.710290927497457
Energy: 0.668261154098483
Energy: 0.7811219845097578
Energy: 0.768861800955355
Energy: 0.7831565566649532
Energy: 0.6837804589522374
Energy: 0.7550261538508811
Energy: 0.785973416298905
Energy: 0.8647255547302963
Energy: 0.7835609242480261
Energy: 0.8711821102780943
Energy: 0.8778324274286469
Energy: 0.7381454952526182
Energy: 0.8673239930116164
Energy: 0.8964992221520203
Energy: 0.8876644313372954
Energy: 0.8701631310034068
Energy: 0.7430326931612834
Energy: 0.8836647914090944
Energy: 0.9028880368854292
Energy: 0.7616230965013207
Energy: 0.8866477306787294
Energy: 0.7594542708251903
Energy: 0.7814907039925301
Energy: 0.9084168632202967
Energy: 0.7725922010280928
Energy: 0.8925076989141313
Energy: 0.8094240970944537
Energy: 0.7878312786045837
Energy: 0.8122033491563292

minimum gb energy = 0.6633404948842089 eV
minimum distance =  1.89954696870553 Angstroms
sigma value = 33